data_6k50_residue ############################ # Computer software used # ############################ 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 6k50 _Structure_validation_residue.Date_analyzed 2019-06-07 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' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 . . . . . 0 N--CA 1.467 0.378 0 CA-C-O 121.04 0.447 . . . . 1.37 111.296 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 82.52 -47.15 3.7 Favored Glycine 0 N--CA 1.45 -0.425 0 CA-C-N 115.913 -0.585 . . . . 1.07 111.896 -178.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 49.6 t -74.56 119.43 18.74 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 120.977 0.418 . . . . 1.48 110.397 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -110.77 9.8 22.65 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.5 -0.318 . . . . 1.57 110.772 -179.124 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . 0.442 ' HA2' ' O ' ' A' ' 34' ' ' GLY . . . 118.25 -175.69 15.82 Favored Glycine 0 N--CA 1.442 -0.9 0 C-N-CA 120.653 -0.784 . . . . 1.13 112.213 179.212 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -53.25 -31.11 54.5 Favored 'Trans proline' 0 CA--C 1.529 0.237 0 C-N-CA 123.728 2.952 . . . . 1.42 113.608 -175.601 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 8.8 p-90 -74.9 -24.0 58.46 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.857 0.36 . . . . 4.95 111.069 -179.334 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -151.88 71.02 0.96 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.435 -0.58 . . . . 1.6 109.435 -175.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -86.15 150.23 24.56 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.016 -0.735 . . . . 1.62 109.016 178.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.56 ' CG ' ' HD2' ' A' ' 14' ' ' ARG . 6.6 t0 -143.28 98.55 3.28 Favored 'General case' 0 C--N 1.319 -0.72 0 C-N-CA 120.537 -0.465 . . . . 1.78 110.588 -178.696 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -65.09 -30.14 71.06 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.669 -0.696 . . . . 2.4 110.778 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.538 HD13 ' NH2' ' A' ' 14' ' ' ARG . 2.4 tm? -75.36 -52.73 10.08 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.161 -0.472 . . . . 1.58 111.26 -173.175 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.56 ' HD2' ' CG ' ' A' ' 11' ' ' ASP . 0.0 OUTLIER -57.13 -45.53 83.43 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 120.899 -0.32 . . . . 4.81 111.112 178.463 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 74.6 m -58.83 -46.1 88.47 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-O 120.954 0.407 . . . . 1.47 110.16 176.032 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.3 t60 -54.01 -50.89 65.59 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-N 115.85 -0.614 . . . . 1.04 111.027 175.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.509 ' ND2' HD12 ' A' ' 13' ' ' LEU . 98.4 m-20 -62.17 -34.91 77.31 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.169 -0.469 . . . . 0.64 111.703 -177.548 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 65.9 t60 -68.86 -48.74 62.67 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.381 -0.372 . . . . 1.52 110.568 176.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 71.4 m -70.46 -34.99 73.05 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.212 -0.449 . . . . 0.56 112.156 -174.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 57.3 pttt -75.34 -8.49 56.81 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.692 -0.403 . . . . 2.52 110.532 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 17.5 t -84.78 -11.11 56.44 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.402 -0.592 . . . . 2.12 109.402 176.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 47.7 mt -105.2 114.54 45.02 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.492 0 CA-C-N 115.548 -0.751 . . . . 1.26 109.51 178.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 21.8 ttmm -56.12 131.71 48.36 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.07 0.462 . . . . 3.07 110.877 -178.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 114.44 -36.51 3.94 Favored Glycine 0 N--CA 1.447 -0.578 0 CA-C-N 115.546 -0.752 . . . . 0.79 112.031 -176.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 69.4 m-85 -100.92 163.83 12.12 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.634 0.254 . . . . 1.3 110.36 -179.269 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.98 -29.51 2.3 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.37 -0.377 . . . . 2.9 111.277 177.696 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.537 ' HA3' ' CZ ' ' A' ' 40' ' ' TYR . . . -137.73 169.28 24.19 Favored Glycine 0 N--CA 1.444 -0.78 0 C-N-CA 119.618 -1.277 . . . . 0.76 113.166 -176.695 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.601 ' HA2' ' O ' ' A' ' 38' ' ' LYS . . . -156.29 141.35 7.9 Favored Glycine 0 N--CA 1.446 -0.652 0 N-CA-C 111.277 -0.729 . . . . 0.63 111.277 179.437 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -151.81 158.08 42.81 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 117.005 0.402 . . . . 1.57 110.599 -177.205 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 10.1 m -69.62 97.95 1.1 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.101 -0.5 . . . . 1.1 110.331 -179.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -99.18 -81.86 0.45 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.221 -0.445 . . . . 1.49 111.448 -176.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -59.2 111.31 1.3 Allowed 'General case' 0 C--O 1.235 0.329 0 CA-C-O 120.969 0.414 . . . . 2.74 111.525 -176.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 70.34 -4.97 7.53 Favored Glycine 0 C--N 1.332 0.315 0 CA-C-N 115.349 -0.841 . . . . 1.37 112.74 179.221 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.442 ' O ' ' HA2' ' A' ' 6' ' ' GLY . . . 81.07 14.49 79.17 Favored Glycine 0 N--CA 1.444 -0.825 0 C-N-CA 120.696 -0.764 . . . . 0.96 111.418 -172.722 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -111.77 -44.74 3.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.892 0.377 . . . . 1.15 110.976 -179.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 60.7 t -78.73 122.19 33.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.908 -0.587 . . . . 1.3 111.677 -173.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 85.2 m -73.3 92.88 1.84 Allowed 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 116.116 -0.493 . . . . 1.48 109.942 173.363 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.601 ' O ' ' HA2' ' A' ' 28' ' ' GLY . 27.8 ttmt -73.71 136.83 43.76 Favored 'General case' 0 CA--C 1.51 -0.574 0 N-CA-C 109.24 -0.652 . . . . 2.02 109.24 176.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 62.5 m -103.6 133.54 48.45 Favored 'General case' 0 C--N 1.309 -1.159 0 CA-C-N 115.852 -0.613 . . . . 0.59 110.219 -177.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.537 ' CZ ' ' HA3' ' A' ' 27' ' ' GLY . 29.8 p90 . . . . . 0 C--O 1.25 1.113 0 CA-C-O 118.595 -0.717 . . . . 1.72 109.536 178.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 . . . . . 0 N--CA 1.454 -0.264 0 CA-C-O 121.295 0.569 . . . . 1.37 110.257 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . 0.469 ' HA2' ' CZ ' ' A' ' 14' ' ' ARG . . . 105.82 -13.63 45.8 Favored Glycine 0 N--CA 1.445 -0.716 0 CA-C-N 115.351 -0.84 . . . . 1.07 111.068 -176.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.443 ' HA ' ' HA ' ' A' ' 10' ' ' GLU . 55.8 m -102.9 107.58 18.46 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 114.961 -0.619 . . . . 1.48 110.083 179.375 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . 0.4 ' HB2' ' HB3' ' A' ' 9' ' ' ASN . 37.8 m-80 -120.26 15.5 12.25 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 120.813 0.339 . . . . 1.57 110.57 -179.652 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 115.28 175.94 18.47 Favored Glycine 0 N--CA 1.443 -0.839 0 C-N-CA 120.615 -0.802 . . . . 1.13 112.237 179.191 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_endo -54.9 -26.88 50.82 Favored 'Trans proline' 0 N--CA 1.473 0.289 0 C-N-CA 123.616 2.877 . . . . 1.42 113.377 -175.24 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 9.8 p-90 -81.26 -22.35 38.76 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.091 -0.504 . . . . 4.95 111.159 -178.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.4 ' HB3' ' HB2' ' A' ' 5' ' ' ASN . 52.7 t-20 -155.06 64.27 0.64 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.224 0.535 . . . . 1.6 110.169 -172.214 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.461 ' HB2' ' SG ' ' A' ' 30' ' ' CYS . 7.1 pt-20 -120.15 94.87 4.53 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.373 0.606 . . . . 1.62 110.294 175.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -80.8 102.84 10.24 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.835 -0.62 . . . . 1.78 110.592 -179.428 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -55.93 -36.56 67.89 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.108 -0.951 . . . . 2.4 110.614 178.694 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.91 -46.8 76.95 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 115.731 -0.668 . . . . 1.58 110.48 -178.679 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.469 ' CZ ' ' HA2' ' A' ' 3' ' ' GLY . 0.0 OUTLIER -55.48 -49.73 71.77 Favored 'General case' 0 N--CA 1.441 -0.897 0 C-N-CA 123.214 0.606 . . . . 4.81 111.19 179.136 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 48.6 t -60.82 -48.18 82.99 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.402 -0.817 . . . . 1.47 110.127 177.413 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.409 ' NE2' ' HD3' ' A' ' 20' ' ' LYS . 51.3 t60 -52.56 -48.94 65.84 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.008 -0.542 . . . . 1.04 110.913 175.241 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -59.65 -42.23 92.33 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.014 -0.539 . . . . 0.64 111.214 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 78.4 t60 -62.62 -46.42 88.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 1.52 111.07 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 60.3 m -75.96 -36.87 59.12 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.265 -0.425 . . . . 0.56 112.08 -174.59 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.409 ' HD3' ' NE2' ' A' ' 16' ' ' HIS . 19.3 pttp -72.37 -18.24 61.76 Favored 'General case' 0 N--CA 1.463 0.194 0 C-N-CA 121.006 -0.278 . . . . 2.52 111.202 -176.255 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 12.9 p -92.37 6.36 47.22 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.156 0.503 . . . . 2.12 110.764 179.293 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 68.2 mt -112.41 122.22 66.24 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.497 0 CA-C-N 115.77 -0.65 . . . . 1.26 109.546 176.292 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 25.4 ttpp -60.08 132.33 53.6 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.896 0.379 . . . . 3.07 110.325 178.594 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 110.43 -21.72 23.53 Favored Glycine 0 N--CA 1.447 -0.63 0 CA-C-N 115.865 -0.607 . . . . 0.79 111.896 -176.031 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 69.3 m-85 -119.68 171.86 8.09 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.916 0.388 . . . . 1.3 110.257 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -138.54 -30.35 0.77 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.97 -0.559 . . . . 2.9 111.597 176.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -142.03 170.62 24.86 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 119.8 -1.191 . . . . 0.76 112.712 -177.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.402 ' HA2' ' O ' ' A' ' 38' ' ' LYS . . . -157.04 151.49 22.85 Favored Glycine 0 N--CA 1.445 -0.747 0 C-N-CA 120.785 -0.721 . . . . 0.63 112.108 179.721 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.544 ' HH ' ' HZ3' ' A' ' 38' ' ' LYS . 13.4 p90 -156.95 155.27 31.04 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.839 0.352 . . . . 1.57 110.116 177.206 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.461 ' SG ' ' HB2' ' A' ' 10' ' ' GLU . 3.4 m -80.97 105.19 12.0 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.347 -0.612 . . . . 1.1 109.347 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.74 -84.85 0.22 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.854 -0.612 . . . . 1.49 111.761 -171.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 50.2 mmtm -62.59 106.79 0.83 Allowed 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 116.283 -0.417 . . . . 2.74 111.57 -175.439 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 71.07 -2.26 19.74 Favored Glycine 0 C--N 1.331 0.258 0 CA-C-N 115.406 -0.815 . . . . 1.37 113.371 176.478 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 81.24 7.63 88.19 Favored Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 120.703 -0.761 . . . . 0.96 111.654 -173.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -98.97 -38.64 8.91 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.17 0.51 . . . . 1.15 110.606 179.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 61.9 t -84.78 111.41 20.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.901 -0.591 . . . . 1.3 111.316 -174.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 38.1 t -75.31 105.28 6.25 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.503 -0.771 . . . . 1.48 109.415 174.325 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.544 ' HZ3' ' HH ' ' A' ' 29' ' ' TYR . 32.1 ttmt -92.24 141.36 28.65 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 110.072 -0.344 . . . . 2.02 110.072 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 73.7 m -115.1 134.64 54.99 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 116.121 -0.49 . . . . 0.59 110.003 179.311 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 41.0 p90 . . . . . 0 C--O 1.251 1.141 0 CA-C-O 118.198 -0.906 . . . . 1.72 109.624 177.459 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 . . . . . 0 N--CA 1.455 -0.189 0 CA-C-O 121.079 0.466 . . . . 1.37 110.576 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 89.5 -26.97 8.26 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 121.054 -0.593 . . . . 1.07 111.81 -177.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.503 ' SG ' ' HB2' ' A' ' 15' ' ' CYS . 84.7 m -89.07 92.39 9.19 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 120.948 0.404 . . . . 1.48 110.52 179.361 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -120.09 34.65 5.14 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.223 -0.444 . . . . 1.57 111.308 -177.426 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 109.65 170.13 20.26 Favored Glycine 0 C--O 1.219 -0.816 0 C-N-CA 120.811 -0.709 . . . . 1.13 113.281 173.123 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.566 ' HA ' ' OE1' ' A' ' 10' ' ' GLU . 9.5 Cg_endo -54.31 -26.61 44.23 Favored 'Trans proline' 0 N--CA 1.473 0.283 0 C-N-CA 123.652 2.901 . . . . 1.42 113.41 -175.415 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -96.55 -4.97 40.34 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.01 -0.541 . . . . 4.95 110.768 -177.673 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -152.97 41.35 0.57 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.868 0.366 . . . . 1.6 110.435 -172.756 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.566 ' OE1' ' HA ' ' A' ' 7' ' ' PRO . 4.6 pt-20 -103.77 89.55 3.36 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.542 0.686 . . . . 1.62 110.875 179.479 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -80.37 91.28 5.66 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.318 -0.855 . . . . 1.78 110.318 178.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -56.4 -33.18 65.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.922 -0.581 . . . . 2.4 110.616 179.14 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.479 HD11 ' ND2' ' A' ' 17' ' ' ASN . 2.8 tm? -57.59 -52.01 67.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.951 -0.568 . . . . 1.58 110.606 179.322 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 62.6 mtp180 -60.38 -46.83 88.56 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.92 -0.582 . . . . 4.81 111.643 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.503 ' HB2' ' SG ' ' A' ' 4' ' ' CYS . 43.5 t -55.4 -48.87 73.69 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.062 0.458 . . . . 1.47 110.266 173.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 33.4 t60 -52.03 -51.46 57.3 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.699 -0.682 . . . . 1.04 111.173 175.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.479 ' ND2' HD11 ' A' ' 13' ' ' LEU . 95.8 m-20 -63.13 -36.28 83.07 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.181 -0.463 . . . . 0.64 111.317 -178.308 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.46 ' O ' HG13 ' A' ' 22' ' ' ILE . 82.4 t60 -63.52 -42.31 98.47 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.804 0.335 . . . . 1.52 110.239 177.014 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 83.1 m -72.54 -20.52 61.32 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.059 -0.518 . . . . 0.56 111.366 -179.214 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 30.1 mmmt -79.27 -27.97 42.32 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.125 0.488 . . . . 2.52 110.412 174.386 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 38.6 m -74.31 -14.6 60.92 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.725 -0.67 . . . . 2.12 110.242 175.471 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.46 HG13 ' O ' ' A' ' 18' ' ' HIS . 49.2 mt -101.8 120.39 51.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.162 -0.472 . . . . 1.26 109.848 178.154 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 35.2 ttpt -65.3 136.76 56.96 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.407 -0.36 . . . . 3.07 110.37 179.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 101.33 12.9 34.62 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.733 -0.746 . . . . 0.79 113.198 177.263 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 74.1 m-85 -137.29 158.55 44.18 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 110.129 -0.322 . . . . 1.3 110.129 177.495 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.94 -13.93 8.54 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 111.653 0.242 . . . . 2.9 111.653 179.776 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -163.84 173.93 39.95 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.028 -1.082 . . . . 0.76 112.724 179.021 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -154.99 152.2 23.76 Favored Glycine 0 N--CA 1.448 -0.541 0 N-CA-C 111.617 -0.593 . . . . 0.63 111.617 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.3 p90 -156.27 156.17 33.59 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.725 0.298 . . . . 1.57 110.212 -178.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.5 m -82.72 102.53 11.59 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.095 0.474 . . . . 1.1 109.73 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -85.19 -79.67 0.23 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.931 -0.577 . . . . 1.49 111.862 -171.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp -67.76 105.59 1.98 Allowed 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 111.964 0.357 . . . . 2.74 111.964 -174.176 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 66.42 11.45 56.39 Favored Glycine 0 C--N 1.33 0.202 0 CA-C-N 115.569 -0.742 . . . . 1.37 113.32 174.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 73.6 9.78 78.83 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.749 -0.738 . . . . 0.96 112.169 -176.392 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 80.9 m-85 -103.93 -37.11 7.53 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 122.544 -0.386 . . . . 1.15 111.428 -179.218 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 45.8 t -92.05 110.9 23.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-O 120.992 0.425 . . . . 1.3 111.215 -173.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 15.8 t -73.79 121.62 21.14 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.527 -0.76 . . . . 1.48 109.813 176.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -115.84 144.5 43.92 Favored 'General case' 0 CA--C 1.512 -0.494 0 CA-C-O 120.973 0.416 . . . . 2.02 110.547 178.542 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 68.5 m -111.87 137.61 49.6 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.345 -0.843 . . . . 0.59 110.169 -178.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 17.0 p90 . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.284 -0.865 . . . . 1.72 110.136 178.323 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 . . . . . 0 N--CA 1.452 -0.337 0 CA-C-O 121.311 0.577 . . . . 1.37 109.639 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 141.82 -42.63 1.13 Allowed Glycine 0 N--CA 1.444 -0.775 0 N-CA-C 109.82 -1.312 . . . . 1.07 109.82 -171.092 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.597 ' HA ' ' HA ' ' A' ' 10' ' ' GLU . 30.7 m -84.35 94.02 8.38 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.435 -0.579 . . . . 1.48 109.435 172.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 -123.57 48.88 1.78 Allowed 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.358 -0.383 . . . . 1.57 110.765 -173.424 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 154.28 166.48 15.05 Favored Glycine 0 N--CA 1.446 -0.68 0 C-N-CA 120.534 -0.841 . . . . 1.13 112.16 179.564 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -73.58 -35.13 4.96 Favored 'Trans proline' 0 N--CA 1.466 -0.135 0 C-N-CA 122.456 2.104 . . . . 1.42 110.974 173.488 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 8.1 p-90 -97.17 -5.44 37.1 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.259 -0.882 . . . . 4.95 109.812 176.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 63.2 t30 -128.1 32.28 4.93 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.714 0.768 . . . . 1.6 110.096 -172.066 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.597 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 1.2 pt-20 -92.21 101.6 14.11 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.656 -0.702 . . . . 1.62 110.479 177.497 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -104.08 111.58 24.22 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.18 -0.464 . . . . 1.78 110.426 178.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -74.55 -14.03 60.75 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.912 -0.586 . . . . 2.4 111.387 -176.06 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.438 HD13 ' ND2' ' A' ' 17' ' ' ASN . 0.1 OUTLIER -73.51 -51.72 16.06 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 121.131 -0.227 . . . . 1.58 110.426 -174.459 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.35 -40.73 78.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.541 -0.3 . . . . 4.81 110.918 179.476 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.462 ' HB3' ' HB3' ' A' ' 37' ' ' CYS . 67.6 m -70.44 -34.62 72.67 Favored 'General case' 0 N--CA 1.444 -0.754 0 CA-C-N 116.538 -0.301 . . . . 1.47 111.323 178.245 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 49.6 t60 -60.12 -50.77 72.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.89 0.376 . . . . 1.04 110.093 172.016 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.438 ' ND2' HD13 ' A' ' 13' ' ' LEU . 95.0 m-20 -62.34 -39.91 94.66 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.702 -0.681 . . . . 0.64 110.494 179.356 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 4.3 t-80 -53.73 -67.07 0.29 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.684 -0.689 . . . . 1.52 111.058 174.086 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 80.7 m -57.33 -40.0 77.03 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.106 -0.952 . . . . 0.56 112.612 -173.268 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 51.9 pttt -72.68 -11.84 60.79 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.535 -0.466 . . . . 2.52 111.178 -177.433 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.7 m -89.84 -0.02 57.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.241 0.543 . . . . 2.12 110.021 176.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 61.2 mt -106.7 129.16 60.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.619 -0.719 . . . . 1.26 109.326 176.175 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 17.9 ttmm -63.3 129.9 42.22 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.942 -0.392 . . . . 3.07 109.942 -179.435 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 105.4 -13.14 47.75 Favored Glycine 0 N--CA 1.446 -0.656 0 C-N-CA 120.988 -0.625 . . . . 0.79 112.18 -177.002 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 50.8 m-85 -128.52 151.72 49.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.655 0.264 . . . . 1.3 110.71 -179.647 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.56 6.49 3.5 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.426 -0.352 . . . . 2.9 111.713 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.504 ' HA3' ' CE2' ' A' ' 40' ' ' TYR . . . -168.94 165.8 39.2 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.28 -0.962 . . . . 0.76 112.625 177.538 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.46 ' HA2' ' O ' ' A' ' 38' ' ' LYS . . . -161.87 146.18 11.77 Favored Glycine 0 N--CA 1.449 -0.487 0 N-CA-C 111.563 -0.615 . . . . 0.63 111.563 -178.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.581 ' HH ' ' NZ ' ' A' ' 38' ' ' LYS . 50.8 p90 -148.36 157.97 43.81 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 110.286 -0.264 . . . . 1.57 110.286 -177.158 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -70.98 103.11 2.58 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.263 -0.643 . . . . 1.1 109.263 178.114 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -95.71 -89.0 0.26 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.57 0.224 . . . . 1.49 111.53 -174.439 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.458 ' HZ2' ' HB3' ' A' ' 32' ' ' LYS . 0.7 OUTLIER -68.19 114.28 6.54 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-O 120.875 0.369 . . . . 2.74 110.955 -173.913 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 72.43 -0.21 42.97 Favored Glycine 0 N--CA 1.452 -0.246 0 CA-C-N 115.641 -0.709 . . . . 1.37 112.755 178.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 78.12 11.3 85.5 Favored Glycine 0 N--CA 1.447 -0.633 0 C-N-CA 120.767 -0.73 . . . . 0.96 111.703 -174.169 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -113.3 -43.98 3.29 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.037 0.446 . . . . 1.15 110.762 -179.038 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 86.8 t -78.31 104.2 6.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.926 -0.579 . . . . 1.3 110.556 -176.666 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.548 ' HA ' ' O ' ' A' ' 29' ' ' TYR . 85.6 m -77.08 107.16 9.24 Favored 'General case' 0 N--CA 1.44 -0.947 0 CA-C-N 115.935 -0.575 . . . . 1.48 110.784 179.515 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.581 ' NZ ' ' HH ' ' A' ' 29' ' ' TYR . 2.2 tmmm? -85.59 129.83 34.72 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.733 -0.667 . . . . 2.02 109.447 -178.444 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.5 ' N ' ' HD2' ' A' ' 38' ' ' LYS . 61.1 m -99.44 134.3 42.51 Favored 'General case' 0 C--N 1.31 -1.143 0 CA-C-N 115.0 -1.0 . . . . 0.59 110.131 -177.552 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.504 ' CE2' ' HA3' ' A' ' 27' ' ' GLY . 14.1 p90 . . . . . 0 C--O 1.246 0.881 0 CA-C-O 118.414 -0.803 . . . . 1.72 110.332 179.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 55.1 m-85 . . . . . 0 N--CA 1.452 -0.372 0 CA-C-O 121.287 0.565 . . . . 1.37 109.933 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . 0.483 ' HA2' ' CZ ' ' A' ' 14' ' ' ARG . . . 90.77 -42.32 2.89 Favored Glycine 0 N--CA 1.444 -0.8 0 N-CA-C 110.935 -0.866 . . . . 1.07 110.935 -174.796 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 40.5 t -85.55 115.81 23.47 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-N 115.248 -0.476 . . . . 1.48 109.852 174.301 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 39.0 m-80 -125.21 38.37 4.2 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.882 -0.599 . . . . 1.57 109.843 -179.399 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . 0.456 ' HA2' ' O ' ' A' ' 34' ' ' GLY . . . 92.67 175.59 41.47 Favored Glycine 0 N--CA 1.444 -0.821 0 C-N-CA 120.758 -0.734 . . . . 1.13 113.153 176.873 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -35.91 -37.45 0.23 Allowed 'Trans proline' 0 CA--C 1.53 0.288 1 C-N-CA 125.322 4.015 . . . . 1.42 114.984 -179.378 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -86.38 -5.08 59.25 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.985 -0.552 . . . . 4.95 111.919 -171.284 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 47.0 t30 -170.2 56.24 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.459 0.647 . . . . 1.6 109.592 -178.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.79 65.69 3.05 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.998 -0.546 . . . . 1.62 111.137 -177.512 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -73.23 106.87 5.25 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.944 -0.571 . . . . 1.78 109.932 178.305 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -72.08 -32.41 67.01 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.654 -0.703 . . . . 2.4 111.121 -176.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.407 HD13 HD22 ' A' ' 17' ' ' ASN . 0.1 OUTLIER -64.12 -49.65 71.37 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 116.442 -0.345 . . . . 1.58 111.042 -173.755 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.483 ' CZ ' ' HA2' ' A' ' 3' ' ' GLY . 83.2 mtp180 -53.15 -50.34 64.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.833 0.349 . . . . 4.81 111.465 178.739 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.6 t -63.79 -42.01 97.82 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.229 -0.441 . . . . 1.47 110.697 177.287 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.414 ' O ' ' HG3' ' A' ' 20' ' ' LYS . 66.4 t60 -54.81 -43.83 73.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.908 -0.587 . . . . 1.04 109.989 175.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.407 HD22 HD13 ' A' ' 13' ' ' LEU . 94.9 m-20 -64.91 -45.48 85.74 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.743 -0.662 . . . . 0.64 110.816 176.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 83.8 t60 -57.07 -48.1 79.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.856 -0.611 . . . . 1.52 111.085 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.51 ' O ' ' HB2' ' A' ' 25' ' ' TYR . 84.8 m -67.32 -30.53 70.39 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.173 -0.467 . . . . 0.56 111.368 -177.7 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.414 ' HG3' ' O ' ' A' ' 16' ' ' HIS . 59.3 mtpt -72.19 -32.36 66.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.741 0.305 . . . . 2.52 110.832 178.228 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 18.1 t -65.42 -27.24 68.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.241 0.543 . . . . 2.12 109.818 177.138 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 46.6 mt -88.71 116.6 30.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.775 -0.648 . . . . 1.26 109.364 174.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 35.6 ttmt -63.25 131.51 48.62 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-O 121.432 0.634 . . . . 3.07 110.867 -178.027 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 114.55 -14.94 20.11 Favored Glycine 0 N--CA 1.446 -0.684 0 CA-C-N 115.038 -0.983 . . . . 0.79 112.289 -177.311 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.51 ' HB2' ' O ' ' A' ' 19' ' ' CYS . 60.3 m-85 -123.44 154.48 39.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.917 0.389 . . . . 1.3 111.093 -178.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.15 -8.27 10.18 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.789 -0.641 . . . . 2.9 111.31 -179.174 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 174.76 -176.41 46.98 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.493 -0.861 . . . . 0.76 112.174 178.584 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -139.23 175.88 21.35 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.845 -0.693 . . . . 0.63 112.095 179.444 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.466 ' O ' ' HA ' ' A' ' 37' ' ' CYS . 15.9 p90 -155.48 140.66 17.51 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.834 0.349 . . . . 1.57 110.418 176.631 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 8.3 m -73.39 99.04 2.85 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.942 -0.572 . . . . 1.1 110.184 177.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -92.33 -82.17 0.33 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.291 -0.413 . . . . 1.49 111.843 -173.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -59.52 106.97 0.52 Allowed 'General case' 0 C--O 1.235 0.309 0 CA-C-N 116.336 -0.393 . . . . 2.74 111.293 -174.177 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 67.64 6.12 41.11 Favored Glycine 0 N--CA 1.451 -0.308 0 CA-C-N 115.818 -0.628 . . . . 1.37 113.009 177.356 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.456 ' O ' ' HA2' ' A' ' 6' ' ' GLY . . . 76.93 8.5 86.73 Favored Glycine 0 N--CA 1.446 -0.667 0 C-N-CA 120.663 -0.78 . . . . 0.96 112.138 -175.192 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 71.4 m-85 -105.28 -43.34 5.03 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.058 0.456 . . . . 1.15 111.021 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 59.1 t -85.37 105.17 13.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.04 -0.527 . . . . 1.3 110.664 -173.536 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.466 ' HA ' ' O ' ' A' ' 29' ' ' TYR . 18.4 t -83.29 125.37 31.54 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.099 -0.5 . . . . 1.48 110.177 179.693 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.56 ' HD2' ' N ' ' A' ' 39' ' ' CYS . 0.0 OUTLIER -114.14 140.82 48.2 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.804 -0.635 . . . . 2.02 109.313 -179.275 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.56 ' N ' ' HD2' ' A' ' 38' ' ' LYS . 82.8 m -87.96 154.91 20.13 Favored 'General case' 0 C--N 1.311 -1.081 0 CA-C-N 115.763 -0.653 . . . . 0.59 111.273 -176.047 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 36.3 p90 . . . . . 0 C--O 1.25 1.127 0 CA-C-O 118.853 -0.594 . . . . 1.72 109.575 176.656 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 46.7 m-85 . . . . . 0 N--CA 1.451 -0.418 0 CA-C-O 121.19 0.519 . . . . 1.37 109.919 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 92.6 -40.89 2.8 Favored Glycine 0 N--CA 1.448 -0.512 0 N-CA-C 111.216 -0.754 . . . . 1.07 111.216 -176.396 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 34.6 t -68.45 102.76 1.5 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.035 0.445 . . . . 1.48 110.066 177.184 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 31.3 m-80 -111.26 13.38 21.71 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.917 -0.583 . . . . 1.57 110.675 -179.112 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 113.03 -171.33 13.82 Favored Glycine 0 N--CA 1.443 -0.869 0 C-N-CA 120.542 -0.837 . . . . 1.13 112.36 178.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_endo -57.62 -31.32 91.5 Favored 'Trans proline' 0 N--CA 1.473 0.302 0 C-N-CA 123.313 2.675 . . . . 1.42 113.606 -173.625 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 3.0 p-90 -75.32 -13.94 60.45 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.821 0.343 . . . . 4.95 111.313 -178.496 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -168.83 76.04 0.11 Allowed 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.652 -0.499 . . . . 1.6 109.652 -179.341 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.442 ' HB3' ' SG ' ' A' ' 30' ' ' CYS . 39.9 mt-10 -78.1 -25.34 47.47 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.989 0.423 . . . . 1.62 110.195 -179.327 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.7 t70 60.93 -165.5 0.22 Allowed 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.4 -0.818 . . . . 1.78 109.818 179.045 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -171.35 -45.84 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 109.644 -0.502 . . . . 2.4 109.644 -179.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.1 -48.37 78.85 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.47 -0.786 . . . . 1.58 110.247 -178.097 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -62.78 -45.01 94.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.122 -0.49 . . . . 4.81 111.525 -178.31 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.445 ' HB3' ' HB3' ' A' ' 37' ' ' CYS . 91.4 m -58.5 -45.2 89.25 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-O 121.471 0.653 . . . . 1.47 109.979 174.772 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 75.0 t60 -60.97 -46.21 91.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.171 -0.922 . . . . 1.04 111.089 178.046 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -56.13 -51.8 66.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.435 . . . . 0.64 111.627 -179.061 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 74.6 t60 -58.43 -43.26 88.65 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.121 -0.491 . . . . 1.52 111.404 -178.135 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 68.8 m -78.42 -28.88 46.88 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 112.077 0.399 . . . . 0.56 112.077 -175.246 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.3 pttp -81.55 -11.63 59.09 Favored 'General case' 0 N--CA 1.462 0.171 0 C-N-CA 120.546 -0.462 . . . . 2.52 110.698 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 29.4 t -75.27 -21.71 58.33 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.343 -0.614 . . . . 2.12 109.343 174.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 28.8 mt -97.32 136.47 28.02 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.55 0 CA-C-N 115.328 -0.851 . . . . 1.26 109.375 179.191 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 56.1 tttt -83.41 132.49 34.97 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 121.297 0.57 . . . . 3.07 110.264 178.435 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 116.23 -16.28 15.18 Favored Glycine 0 N--CA 1.446 -0.653 0 CA-C-N 115.072 -0.967 . . . . 0.79 111.124 -174.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 76.7 m-85 -122.03 153.18 38.94 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 110.123 -0.325 . . . . 1.3 110.123 178.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.84 20.75 4.59 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.793 0.33 . . . . 2.9 111.615 -178.115 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 166.1 171.71 32.59 Favored Glycine 0 N--CA 1.444 -0.833 0 C-N-CA 120.109 -1.044 . . . . 0.76 113.138 176.414 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.561 ' HA2' ' O ' ' A' ' 38' ' ' LYS . . . -149.85 149.02 20.88 Favored Glycine 0 N--CA 1.447 -0.624 0 N-CA-C 111.611 -0.596 . . . . 0.63 111.611 179.449 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.9 p90 -156.42 154.51 30.58 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 110.269 -0.271 . . . . 1.57 110.269 -179.031 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.442 ' SG ' ' HB3' ' A' ' 10' ' ' GLU . 33.7 m -65.46 117.77 8.45 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 110.161 -0.311 . . . . 1.1 110.161 178.762 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -134.98 -73.71 0.47 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.463 -0.335 . . . . 1.49 111.466 -179.074 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -61.24 112.53 2.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.3 -0.409 . . . . 2.74 110.561 -178.066 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 74.03 -8.85 10.54 Favored Glycine 0 CA--C 1.52 0.382 0 C-N-CA 121.202 -0.523 . . . . 1.37 112.634 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 80.67 4.87 90.22 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 121.383 -0.436 . . . . 0.96 112.606 -177.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -123.69 -8.28 7.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.863 0.364 . . . . 1.15 111.421 -178.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 71.3 t -103.63 121.68 55.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.429 -0.35 . . . . 1.3 111.416 -177.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.445 ' HB3' ' HB3' ' A' ' 15' ' ' CYS . 45.1 m -69.63 95.35 0.85 Allowed 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 116.155 -0.475 . . . . 1.48 109.888 172.428 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.561 ' O ' ' HA2' ' A' ' 28' ' ' GLY . 25.9 ttmt -73.43 138.68 45.36 Favored 'General case' 0 CA--C 1.514 -0.43 0 N-CA-C 109.625 -0.509 . . . . 2.02 109.625 177.738 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 60.3 m -100.21 133.91 43.91 Favored 'General case' 0 C--N 1.315 -0.935 0 CA-C-N 115.982 -0.554 . . . . 0.59 110.03 -179.52 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 21.5 p90 . . . . . 0 C--O 1.247 0.933 0 CA-C-O 118.462 -0.78 . . . . 1.72 110.309 -179.654 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 . . . . . 0 N--CA 1.454 -0.273 0 CA-C-O 121.537 0.684 . . . . 1.37 109.799 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . 0.402 ' C ' ' HB2' ' A' ' 11' ' ' ASP . . . 86.08 -49.31 4.09 Favored Glycine 0 N--CA 1.445 -0.75 0 CA-C-N 115.042 -0.981 . . . . 1.07 111.159 -176.667 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 49.8 t -70.02 127.54 33.21 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.428 -0.386 . . . . 1.48 110.165 178.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 46.0 m-80 -136.14 34.75 2.81 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.064 0.459 . . . . 1.57 110.664 179.591 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 119.36 170.34 14.53 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.768 -0.729 . . . . 1.13 112.491 177.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_exo -54.89 -37.69 92.87 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 123.265 2.644 . . . . 1.42 111.944 -178.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -64.91 -27.52 68.91 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 114.975 -1.011 . . . . 4.95 111.028 -178.353 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -139.65 67.13 1.39 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.328 0.585 . . . . 1.6 109.972 -177.474 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -85.19 80.57 9.16 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.604 -0.726 . . . . 1.62 110.419 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.402 ' HB2' ' C ' ' A' ' 3' ' ' GLY . 1.0 OUTLIER -65.9 90.15 0.13 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.361 0.601 . . . . 1.78 110.47 175.64 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -68.6 -38.11 80.34 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.087 -0.961 . . . . 2.4 111.225 -174.473 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.454 HD12 ' ND2' ' A' ' 17' ' ' ASN . 0.1 OUTLIER -72.55 -40.67 66.51 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 110.247 -0.279 . . . . 1.58 110.247 -175.565 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 25.6 mmm180 -55.06 -54.17 46.47 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.522 -0.308 . . . . 4.81 110.709 175.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.6 t -60.67 -42.57 97.34 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.0 -0.545 . . . . 1.47 110.324 176.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.415 ' HA ' ' H ' ' A' ' 28' ' ' GLY . 50.8 t60 -57.23 -47.27 81.77 Favored 'General case' 0 CA--C 1.528 0.132 0 CA-C-N 115.976 -0.556 . . . . 1.04 110.543 177.413 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.454 ' ND2' HD12 ' A' ' 13' ' ' LEU . 82.7 m-20 -63.34 -41.52 98.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.907 -0.588 . . . . 0.64 110.986 179.192 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 71.1 t60 -59.65 -44.68 93.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.934 -0.576 . . . . 1.52 110.784 178.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 76.7 m -78.24 -24.98 46.7 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.291 -0.413 . . . . 0.56 111.676 -177.242 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.402 ' HG3' ' O ' ' A' ' 16' ' ' HIS . 58.0 mtpt -66.43 -32.69 74.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.925 0.393 . . . . 2.52 110.018 173.374 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 23.1 t -66.57 -27.53 67.8 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.706 -0.679 . . . . 2.12 110.172 177.535 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 45.6 mt -86.2 111.45 21.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.109 -0.496 . . . . 1.26 110.045 178.392 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 22.3 ttmm -59.3 135.19 57.57 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.339 -0.392 . . . . 3.07 110.404 -179.569 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 111.31 -35.6 4.66 Favored Glycine 0 N--CA 1.446 -0.641 0 CA-C-N 115.69 -0.686 . . . . 0.79 111.584 -176.26 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 71.8 m-85 -103.02 161.5 13.71 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 110.251 -0.277 . . . . 1.3 110.251 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -124.97 4.82 7.99 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.718 0.294 . . . . 2.9 111.248 179.281 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 168.63 -178.39 42.11 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.477 -0.868 . . . . 0.76 112.265 177.582 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.415 ' H ' ' HA ' ' A' ' 16' ' ' HIS . . . -157.82 165.39 33.59 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.847 -0.692 . . . . 0.63 112.074 -178.617 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 7.9 p90 -148.82 167.23 26.2 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.866 0.365 . . . . 1.57 110.807 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 57.0 m -77.76 97.91 5.35 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.828 -0.624 . . . . 1.1 110.685 -179.296 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -100.24 -175.73 3.02 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.741 -0.663 . . . . 1.49 110.769 -178.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt 55.16 50.93 14.14 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 115.904 -0.589 . . . . 2.74 111.411 177.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 92.69 4.34 65.63 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.983 -0.627 . . . . 1.37 112.17 179.011 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 86.21 42.84 6.48 Favored Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 120.82 -0.705 . . . . 0.96 112.194 -178.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -134.03 -46.86 0.78 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.851 0.357 . . . . 1.15 111.525 -178.529 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 58.1 t -84.2 128.56 38.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.297 -0.411 . . . . 1.3 111.252 -174.113 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 41.1 t -76.66 93.31 3.61 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.264 -0.425 . . . . 1.48 109.872 178.344 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 32.8 ttpt -94.87 144.67 25.47 Favored 'General case' 0 CA--C 1.512 -0.492 0 N-CA-C 110.002 -0.37 . . . . 2.02 110.002 -179.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 60.8 m -107.8 142.53 37.69 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-N 115.949 -0.568 . . . . 0.59 111.147 -173.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 21.8 p90 . . . . . 0 C--O 1.25 1.111 0 CA-C-O 118.771 -0.633 . . . . 1.72 110.248 177.657 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . 0.422 ' O ' ' HB3' ' A' ' 14' ' ' ARG . 79.5 m-85 . . . . . 0 N--CA 1.45 -0.431 0 CA-C-O 121.005 0.431 . . . . 1.37 111.082 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . 0.422 ' HA3' ' CB ' ' A' ' 14' ' ' ARG . . . 151.4 -32.89 0.93 Allowed Glycine 0 N--CA 1.445 -0.703 0 CA-C-N 115.914 -0.584 . . . . 1.07 111.924 179.429 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.437 ' C ' HD21 ' A' ' 5' ' ' ASN . 11.4 t -86.89 135.39 33.33 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.683 0.278 . . . . 1.48 110.41 -179.01 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . 0.437 HD21 ' C ' ' A' ' 4' ' ' CYS . 0.9 OUTLIER -121.18 1.65 10.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.617 0.246 . . . . 1.57 111.429 -177.904 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 133.53 176.62 14.48 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.691 -0.766 . . . . 1.13 111.665 -177.203 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_endo -57.17 -29.15 82.44 Favored 'Trans proline' 0 C--O 1.233 0.24 0 C-N-CA 123.198 2.599 . . . . 1.42 112.54 -178.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 7.0 p-90 -69.67 -27.01 64.66 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.725 -0.671 . . . . 4.95 110.664 178.001 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -144.92 72.24 1.33 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.8 -0.636 . . . . 1.6 109.604 -174.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -91.56 109.2 20.5 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.441 -0.8 . . . . 1.62 110.677 -179.593 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -107.04 73.72 0.95 Allowed 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.791 -0.64 . . . . 1.78 109.997 176.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -60.69 -28.67 68.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.314 -0.857 . . . . 2.4 110.411 -178.472 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.455 HD11 ' ND2' ' A' ' 17' ' ' ASN . 0.1 OUTLIER -62.32 -47.25 85.09 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 116.138 -0.483 . . . . 1.58 109.918 178.785 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.422 ' HB3' ' O ' ' A' ' 2' ' ' PHE . 19.7 mmm180 -57.02 -48.93 77.32 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.092 -0.503 . . . . 4.81 111.109 176.386 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 38.4 m -56.08 -46.69 78.92 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-N 115.767 -0.651 . . . . 1.47 110.337 175.512 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.493 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 75.0 t60 -57.16 -51.13 70.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.919 -0.582 . . . . 1.04 110.925 176.583 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.455 ' ND2' HD11 ' A' ' 13' ' ' LEU . 91.5 m-20 -61.11 -32.63 72.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.388 -0.369 . . . . 0.64 111.448 -178.313 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 78.9 t60 -71.86 -46.77 56.78 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.845 0.355 . . . . 1.52 110.829 176.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 84.2 m -71.74 -29.6 64.7 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.216 -0.447 . . . . 0.56 111.813 -174.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.493 ' HG2' ' O ' ' A' ' 16' ' ' HIS . 21.5 ptmt -78.04 -4.62 48.12 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 121.021 0.439 . . . . 2.52 110.582 177.129 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 25.3 t -89.46 -3.95 58.18 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.248 -0.649 . . . . 2.12 109.248 173.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 50.8 mt -111.89 126.22 69.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.435 -0.802 . . . . 1.26 109.513 179.248 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -63.73 136.83 57.76 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.899 0.381 . . . . 3.07 110.779 -178.552 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 103.58 -38.0 3.46 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 121.076 -0.583 . . . . 0.79 112.1 179.24 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 83.0 m-85 -88.82 148.62 23.81 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.723 0.297 . . . . 1.3 110.338 -178.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -116.73 -20.88 9.33 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.299 -0.41 . . . . 2.9 111.718 -177.347 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.428 ' HA3' ' CZ ' ' A' ' 40' ' ' TYR . . . -153.92 174.89 32.37 Favored Glycine 0 N--CA 1.444 -0.773 0 C-N-CA 119.315 -1.421 . . . . 0.76 113.913 -177.404 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.514 ' HA2' ' O ' ' A' ' 38' ' ' LYS . . . -156.38 153.65 24.9 Favored Glycine 0 N--CA 1.444 -0.787 0 N-CA-C 111.106 -0.798 . . . . 0.63 111.106 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.901 ' HH ' ' HZ2' ' A' ' 38' ' ' LYS . 6.8 p90 -164.45 166.41 20.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.83 0.315 . . . . 1.57 110.325 -177.502 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 62.9 m -78.09 100.93 6.74 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 121.297 0.57 . . . . 1.1 110.969 -179.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -117.83 -166.83 1.24 Allowed 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.53 -0.759 . . . . 1.49 109.633 177.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.407 ' HB3' ' HB ' ' A' ' 36' ' ' VAL . 26.2 tptp 57.06 52.25 9.38 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-O 121.719 0.771 . . . . 2.74 109.779 178.032 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 95.08 -11.2 69.6 Favored Glycine 0 N--CA 1.45 -0.427 0 CA-C-N 115.393 -0.821 . . . . 1.37 111.758 -177.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 95.73 33.0 6.59 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 121.067 -0.587 . . . . 0.96 111.917 -178.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -129.1 -38.87 1.59 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.129 0.49 . . . . 1.15 111.051 -178.13 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.407 ' HB ' ' HB3' ' A' ' 32' ' ' LYS . 95.8 t -88.61 130.01 38.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.867 -0.606 . . . . 1.3 111.252 -173.372 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 93.6 m -74.58 87.82 2.14 Favored 'General case' 0 N--CA 1.444 -0.745 0 CA-C-N 116.016 -0.538 . . . . 1.48 110.379 175.519 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.901 ' HZ2' ' HH ' ' A' ' 29' ' ' TYR . 37.7 ttmt -72.03 144.33 48.82 Favored 'General case' 0 CA--C 1.513 -0.446 0 N-CA-C 110.057 -0.349 . . . . 2.02 110.057 178.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 85.7 m -110.45 134.35 52.42 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 115.804 -0.635 . . . . 0.59 109.648 176.269 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.428 ' CZ ' ' HA3' ' A' ' 27' ' ' GLY . 42.0 p90 . . . . . 0 C--O 1.25 1.108 0 CA-C-O 118.563 -0.732 . . . . 1.72 109.778 178.39 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . 0.572 ' O ' ' HB3' ' A' ' 14' ' ' ARG . 22.3 m-85 . . . . . 0 N--CA 1.471 0.604 0 N-CA-C 111.994 0.368 . . . . 1.37 111.994 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . 0.546 ' HA3' ' CB ' ' A' ' 14' ' ' ARG . . . 144.22 -13.69 2.09 Favored Glycine 0 N--CA 1.443 -0.893 0 N-CA-C 110.916 -0.874 . . . . 1.07 110.916 -175.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 88.0 m -92.69 126.53 37.82 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.922 0.391 . . . . 1.48 111.238 176.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 38.1 m-80 -127.64 29.74 5.43 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.464 0.65 . . . . 1.57 109.931 176.469 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . 0.517 ' O ' ' HG3' ' A' ' 10' ' ' GLU . . . 117.7 164.05 13.08 Favored Glycine 0 C--O 1.223 -0.552 0 CA-C-N 115.248 -0.887 . . . . 1.13 112.078 178.49 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -64.83 -15.3 49.61 Favored 'Trans proline' 0 N--CA 1.472 0.22 0 C-N-CA 123.086 2.524 . . . . 1.42 112.317 -177.326 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 12.1 p-90 -89.64 -14.8 34.11 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.282 -0.872 . . . . 4.95 110.545 177.172 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -153.79 55.92 0.73 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.564 0.697 . . . . 1.6 111.021 -172.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.517 ' HG3' ' O ' ' A' ' 6' ' ' GLY . 0.0 OUTLIER -103.4 133.05 49.1 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.182 -0.463 . . . . 1.62 110.307 173.076 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.473 ' OD2' ' HG2' ' A' ' 14' ' ' ARG . 19.8 t70 -102.45 115.42 30.53 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.053 0.454 . . . . 1.78 110.884 -176.268 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -66.89 -32.39 73.61 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.428 -0.806 . . . . 2.4 111.033 -176.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.422 HD12 ' ND2' ' A' ' 17' ' ' ASN . 0.1 OUTLIER -68.83 -43.4 75.6 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.879 -0.6 . . . . 1.58 109.793 -177.721 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.572 ' HB3' ' O ' ' A' ' 2' ' ' PHE . 24.6 mmm180 -55.28 -53.6 54.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.911 -0.586 . . . . 4.81 111.105 176.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 66.2 m -54.46 -42.52 70.75 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 116.383 -0.371 . . . . 1.47 110.694 176.54 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 57.6 t60 -59.2 -52.89 63.75 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.403 -0.362 . . . . 1.04 110.751 175.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.422 ' ND2' HD12 ' A' ' 13' ' ' LEU . 92.7 m-20 -60.12 -41.06 91.82 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.14 -0.482 . . . . 0.64 111.316 -178.026 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 84.2 t60 -62.64 -48.05 81.06 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.842 -0.617 . . . . 1.52 111.127 179.302 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 74.7 m -77.98 -31.82 50.94 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 112.455 0.539 . . . . 0.56 112.455 -174.556 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 58.3 pttt -69.79 -20.38 63.47 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.962 0.41 . . . . 2.52 110.404 -179.442 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 29.2 t -85.3 -2.2 57.8 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 115.931 -0.577 . . . . 2.12 110.087 179.205 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 54.8 mt -109.68 115.31 49.31 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.508 0 CA-C-N 115.816 -0.629 . . . . 1.26 109.424 177.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 26.3 ttpp -55.68 133.63 50.83 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.922 0.391 . . . . 3.07 110.378 -179.24 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 109.63 -34.05 5.71 Favored Glycine 0 N--CA 1.448 -0.531 0 CA-C-N 115.758 -0.655 . . . . 0.79 111.884 -176.142 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -112.05 150.59 30.44 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.764 -0.458 . . . . 1.3 109.764 -179.392 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.02 -6.0 11.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.328 0.585 . . . . 2.9 110.695 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 179.77 179.19 48.77 Favored Glycine 0 N--CA 1.445 -0.711 0 C-N-CA 120.957 -0.639 . . . . 0.76 111.558 -179.279 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -160.38 170.23 36.35 Favored Glycine 0 N--CA 1.445 -0.762 0 C-N-CA 120.364 -0.922 . . . . 0.63 112.419 -178.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 8.9 p90 -143.13 152.34 41.7 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 110.057 -0.349 . . . . 1.57 110.057 -179.226 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.5 t -80.48 120.38 24.4 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.128 0.489 . . . . 1.1 110.543 -177.064 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -136.66 -166.58 1.92 Allowed 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.626 -0.715 . . . . 1.49 110.247 -178.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 47.2 mmtm 53.89 58.71 4.82 Favored 'General case' 0 C--O 1.233 0.188 0 O-C-N 123.668 0.605 . . . . 2.74 111.226 179.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 94.58 -6.18 70.64 Favored Glycine 0 N--CA 1.447 -0.622 0 CA-C-N 115.53 -0.759 . . . . 1.37 111.689 -179.105 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 84.23 38.06 10.45 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.985 -0.626 . . . . 0.96 112.126 -178.576 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.413 ' CE2' ' HA2' ' A' ' 6' ' ' GLY . 96.9 m-85 -134.23 -21.93 1.8 Allowed 'General case' 0 C--O 1.233 0.215 0 N-CA-C 112.062 0.393 . . . . 1.15 112.062 178.796 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 61.6 t -98.54 113.64 33.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 C-N-CA 121.04 -0.264 . . . . 1.3 111.354 -175.073 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 51.7 m -71.36 78.19 0.75 Allowed 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 116.31 -0.404 . . . . 1.48 110.392 173.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 19.7 ttpp -72.84 144.82 47.32 Favored 'General case' 0 CA--C 1.514 -0.411 0 CA-C-O 120.901 0.381 . . . . 2.02 110.24 -177.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 59.0 m -104.4 160.98 14.47 Favored 'General case' 0 C--N 1.313 -1.007 0 CA-C-N 115.77 -0.65 . . . . 0.59 110.46 -175.305 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 4.4 p90 . . . . . 0 C--O 1.25 1.118 0 CA-C-O 118.746 -0.645 . . . . 1.72 110.557 176.89 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 63.5 m-85 . . . . . 0 N--CA 1.451 -0.422 0 N-CA-C 109.391 -0.596 . . . . 1.37 109.391 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . 0.479 ' O ' ' HB2' ' A' ' 11' ' ' ASP . . . 93.5 46.46 3.23 Favored Glycine 0 N--CA 1.442 -0.921 0 N-CA-C 110.765 -0.934 . . . . 1.07 110.765 -172.315 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 45.3 t -161.57 95.01 0.99 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.136 -0.532 . . . . 1.48 109.895 -178.181 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 35.4 m-80 -108.72 33.83 4.0 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.167 0.508 . . . . 1.57 110.717 -177.642 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 109.78 171.94 20.41 Favored Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.894 -0.669 . . . . 1.13 112.717 176.215 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -53.96 -29.09 52.54 Favored 'Trans proline' 0 C--O 1.233 0.257 0 C-N-CA 123.536 2.824 . . . . 1.42 113.185 -176.497 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 25.5 p-90 -81.66 -19.36 41.84 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.287 -0.415 . . . . 4.95 110.965 -179.165 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -144.51 47.96 1.36 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.272 0.558 . . . . 1.6 110.585 -173.205 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -99.75 96.5 7.65 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.739 -0.664 . . . . 1.62 110.44 178.806 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.486 ' C ' ' H ' ' A' ' 13' ' ' LEU . 10.1 m-20 -62.02 -45.05 95.29 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.543 -0.54 . . . . 1.78 109.543 175.697 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.2 t70 73.41 -37.45 0.38 Allowed 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 124.218 1.007 . . . . 2.4 111.236 173.321 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.486 ' H ' ' C ' ' A' ' 11' ' ' ASP . 0.1 OUTLIER -69.82 -42.29 73.84 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.219 -0.901 . . . . 1.58 109.427 -179.477 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 67.6 mtp180 -57.38 -46.36 83.48 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.157 -0.929 . . . . 4.81 111.312 178.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 88.3 m -60.06 -40.89 91.03 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.874 0.369 . . . . 1.47 110.935 174.233 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 69.3 t60 -59.8 -48.98 79.49 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.051 -0.522 . . . . 1.04 110.489 176.223 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -61.26 -43.13 99.38 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.921 -0.582 . . . . 0.64 110.725 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 81.9 t60 -57.06 -49.7 75.05 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.981 -0.554 . . . . 1.52 111.213 177.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.428 ' O ' ' HB2' ' A' ' 25' ' ' TYR . 54.2 m -84.83 -28.93 25.74 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 113.068 0.766 . . . . 0.56 113.068 -172.486 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 17.0 pttm -72.93 -12.65 61.03 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.118 -0.633 . . . . 2.52 110.149 179.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 28.4 t -87.79 -24.1 23.86 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.816 -0.629 . . . . 2.12 110.036 176.008 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 72.5 mt -79.01 121.26 31.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 109.592 -0.522 . . . . 1.26 109.592 178.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 23.6 ttpp -56.84 128.5 37.0 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.222 -0.445 . . . . 3.07 110.354 -178.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 106.85 -20.06 34.5 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.782 -0.723 . . . . 0.79 112.405 -177.21 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.428 ' HB2' ' O ' ' A' ' 19' ' ' CYS . 70.6 m-85 -117.27 155.44 29.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.891 0.377 . . . . 1.3 110.626 178.108 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.34 -3.58 2.41 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.012 -0.54 . . . . 2.9 111.285 178.144 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.484 ' HA3' ' CZ ' ' A' ' 40' ' ' TYR . . . -152.19 165.87 30.91 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.321 -0.942 . . . . 0.76 113.047 179.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.623 ' HA2' ' O ' ' A' ' 38' ' ' LYS . . . -167.94 111.0 0.42 Allowed Glycine 0 C--O 1.227 -0.292 0 N-CA-C 111.215 -0.754 . . . . 0.63 111.215 178.494 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.47 ' O ' ' HA ' ' A' ' 37' ' ' CYS . 6.1 p90 -135.55 151.4 50.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 117.129 0.464 . . . . 1.57 111.165 -171.326 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 19.0 m -74.29 102.36 4.33 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.883 -0.414 . . . . 1.1 109.883 179.568 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -98.13 -77.57 0.5 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.011 0.434 . . . . 1.49 111.066 -177.427 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp -67.69 116.36 8.31 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.964 -0.562 . . . . 2.74 111.491 -175.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 69.63 1.55 31.07 Favored Glycine 0 C--N 1.33 0.231 0 CA-C-N 115.496 -0.774 . . . . 1.37 113.404 175.07 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 71.88 19.14 78.03 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.544 -0.836 . . . . 0.96 111.567 -173.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 58.5 m-85 -120.31 -37.73 3.01 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.639 0.257 . . . . 1.15 111.4 179.39 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 61.4 t -83.25 104.88 12.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 120.843 0.354 . . . . 1.3 111.322 -175.408 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.47 ' HA ' ' O ' ' A' ' 29' ' ' TYR . 95.5 m -77.42 92.97 4.02 Favored 'General case' 0 N--CA 1.443 -0.778 0 CA-C-N 115.861 -0.609 . . . . 1.48 110.224 174.795 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.623 ' O ' ' HA2' ' A' ' 28' ' ' GLY . 36.7 ttpt -76.3 141.66 41.55 Favored 'General case' 0 CA--C 1.508 -0.669 0 N-CA-C 109.367 -0.605 . . . . 2.02 109.367 178.165 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 84.1 m -123.35 133.85 54.08 Favored 'General case' 0 C--N 1.308 -1.225 0 CA-C-N 115.933 -0.576 . . . . 0.59 110.445 -175.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.484 ' CZ ' ' HA3' ' A' ' 27' ' ' GLY . 23.0 p90 . . . . . 0 C--O 1.248 0.998 0 CA-C-O 118.029 -0.986 . . . . 1.72 109.982 -174.69 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 . . . . . 0 N--CA 1.451 -0.407 0 CA-C-O 120.87 0.367 . . . . 1.37 110.736 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 67.4 33.69 82.73 Favored Glycine 0 N--CA 1.449 -0.48 0 CA-C-N 115.795 -0.639 . . . . 1.07 111.95 -178.414 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.479 ' HA ' ' HA ' ' A' ' 10' ' ' GLU . 24.9 t -122.13 -89.95 0.59 Allowed 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.918 -0.401 . . . . 1.48 109.918 -179.314 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 58.67 23.71 11.32 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 112.981 0.734 . . . . 1.57 112.981 174.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 111.04 159.13 15.84 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.527 -0.844 . . . . 1.13 113.216 175.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.46 ' HA ' ' CG ' ' A' ' 10' ' ' GLU . 16.6 Cg_endo -59.72 -25.93 80.61 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 123.537 2.825 . . . . 1.42 113.252 -173.685 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 17.1 p-90 -72.48 -15.64 61.8 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.67 -0.695 . . . . 4.95 111.678 -178.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -134.39 -18.98 1.94 Allowed 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.384 0.513 . . . . 1.6 112.384 -170.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.479 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 0.0 OUTLIER -60.85 145.1 51.26 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 113.262 0.838 . . . . 1.62 113.262 -171.807 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.445 ' OD2' ' HD3' ' A' ' 14' ' ' ARG . 20.5 t70 -130.5 130.82 44.66 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 114.557 -1.202 . . . . 1.78 109.474 176.091 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 34.4 m-20 -67.16 -25.06 65.97 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.676 -0.693 . . . . 2.4 111.861 -174.205 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.476 HD12 ' ND2' ' A' ' 17' ' ' ASN . 0.1 OUTLIER -75.66 -47.85 24.6 Favored 'General case' 0 N--CA 1.449 -0.519 0 N-CA-C 110.435 -0.209 . . . . 1.58 110.435 -175.611 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.445 ' HD3' ' OD2' ' A' ' 11' ' ' ASP . 9.2 mpt_? -59.43 -48.23 82.44 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 121.212 -0.195 . . . . 4.81 111.323 179.136 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 38.8 t -60.88 -43.62 98.19 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.953 -0.388 . . . . 1.47 109.953 177.594 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 75.0 t60 -58.05 -50.28 73.99 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.254 -0.43 . . . . 1.04 111.033 175.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.476 ' ND2' HD12 ' A' ' 13' ' ' LEU . 91.5 m-20 -61.03 -45.36 95.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.169 -0.469 . . . . 0.64 111.097 -178.188 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 49.2 t60 -57.78 -49.95 74.89 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.223 -0.444 . . . . 1.52 110.795 178.151 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 89.5 m -68.71 -39.44 80.46 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.018 -0.537 . . . . 0.56 112.237 -174.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 44.4 pttt -73.84 -12.19 60.61 Favored 'General case' 0 N--CA 1.463 0.195 0 C-N-CA 120.354 -0.538 . . . . 2.52 110.937 -179.506 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 55.6 m -81.15 -11.21 59.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.379 0.609 . . . . 2.12 109.978 175.038 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 62.6 mt -99.29 121.34 49.79 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.531 0 CA-C-N 115.441 -0.8 . . . . 1.26 109.184 177.283 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.467 ' HZ1' ' HB2' ' A' ' 23' ' ' LYS . 2.5 ttmp? -63.53 131.15 47.18 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-O 121.342 0.592 . . . . 3.07 110.571 -177.785 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 109.9 -20.04 27.18 Favored Glycine 0 N--CA 1.445 -0.745 0 CA-C-N 115.059 -0.973 . . . . 0.79 111.975 -175.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 64.4 m-85 -114.91 158.26 22.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.574 0.226 . . . . 1.3 110.435 179.025 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -127.09 -19.49 4.36 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.499 -0.319 . . . . 2.9 111.853 179.719 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -156.05 -179.46 31.12 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.304 -0.95 . . . . 0.76 112.593 179.384 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -159.29 152.67 23.69 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.674 -0.774 . . . . 0.63 112.666 -179.228 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 15.6 p90 -149.54 146.65 27.47 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 110.05 -0.352 . . . . 1.57 110.05 177.284 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.418 ' O ' ' HA2' ' A' ' 34' ' ' GLY . 81.5 m -79.21 101.12 7.81 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.042 0.448 . . . . 1.1 110.71 178.447 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -104.5 -168.3 1.47 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.325 -0.852 . . . . 1.49 110.297 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt 52.61 60.24 3.94 Favored 'General case' 0 C--O 1.234 0.245 0 O-C-N 123.66 0.6 . . . . 2.74 110.823 179.644 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 90.46 -10.01 75.79 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.96 -0.638 . . . . 1.37 111.812 -179.043 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.418 ' HA2' ' O ' ' A' ' 30' ' ' CYS . . . 93.36 14.5 53.65 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 121.038 -0.601 . . . . 0.96 112.17 -179.128 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -103.74 -27.68 12.11 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.811 0.338 . . . . 1.15 111.201 -178.076 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.412 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 45.7 t -99.44 111.17 28.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.457 -0.338 . . . . 1.3 111.362 -172.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 44.5 t -68.06 95.19 0.54 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.331 -0.618 . . . . 1.48 109.331 174.419 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.572 ' HD2' ' N ' ' A' ' 39' ' ' CYS . 1.6 tmmm? -95.05 134.31 37.88 Favored 'General case' 0 CA--C 1.513 -0.454 0 CA-C-O 121.244 0.545 . . . . 2.02 109.616 -177.388 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.572 ' N ' ' HD2' ' A' ' 38' ' ' LYS . 65.4 m -101.12 140.68 35.08 Favored 'General case' 0 C--N 1.308 -1.226 0 CA-C-N 114.978 -1.01 . . . . 0.59 111.064 -174.209 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 37.7 p90 . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.437 -0.792 . . . . 1.72 110.117 176.338 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 . . . . . 0 N--CA 1.465 0.287 0 CA-C-O 121.218 0.532 . . . . 1.37 110.717 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . 0.428 ' HA3' ' CB ' ' A' ' 14' ' ' ARG . . . 97.72 -28.14 15.71 Favored Glycine 0 N--CA 1.445 -0.716 0 CA-C-N 115.729 -0.669 . . . . 1.07 112.491 -179.234 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.472 ' HA ' ' HA ' ' A' ' 10' ' ' GLU . 42.6 t -93.98 113.49 25.49 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 120.98 0.419 . . . . 1.48 110.655 -178.511 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . 0.455 ' HB2' ' ND2' ' A' ' 9' ' ' ASN . 56.9 m-80 -129.99 38.63 3.78 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.044 -0.526 . . . . 1.57 110.39 178.768 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . 0.49 ' O ' ' HG3' ' A' ' 10' ' ' GLU . . . 147.36 171.72 16.78 Favored Glycine 0 N--CA 1.447 -0.615 0 CA-C-N 115.871 -0.604 . . . . 1.13 112.34 176.687 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.413 ' HD3' ' CE2' ' A' ' 35' ' ' PHE . 72.0 Cg_endo -76.47 -17.01 16.74 Favored 'Trans proline' 0 C--N 1.335 -0.164 0 C-N-CA 123.37 2.713 . . . . 1.42 111.816 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 4.5 p-90 -116.78 6.69 13.24 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.293 -0.867 . . . . 4.95 109.847 177.602 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.455 ' ND2' ' HB2' ' A' ' 5' ' ' ASN . 56.8 t30 -139.33 45.92 1.94 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 122.059 0.933 . . . . 1.6 108.734 -177.784 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.49 ' HG3' ' O ' ' A' ' 6' ' ' GLY . 0.0 OUTLIER -103.9 94.59 5.5 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-N 114.758 -1.11 . . . . 1.62 110.771 -178.597 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.447 ' HB3' ' HD2' ' A' ' 14' ' ' ARG . 1.0 OUTLIER -69.69 97.66 1.09 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.047 -0.524 . . . . 1.78 111.105 178.33 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -57.73 -40.08 78.8 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.418 -0.81 . . . . 2.4 110.835 179.38 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.43 HD13 ' ND2' ' A' ' 17' ' ' ASN . 0.1 OUTLIER -67.41 -47.13 71.15 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 116.12 -0.491 . . . . 1.58 110.8 -175.132 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.447 ' HD2' ' HB3' ' A' ' 11' ' ' ASP . 0.0 OUTLIER -56.12 -43.36 78.09 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.608 -0.269 . . . . 4.81 110.96 177.351 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 40.9 t -66.45 -40.65 89.54 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.921 -0.4 . . . . 1.47 109.921 178.175 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 65.0 t60 -55.82 -51.83 66.12 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 116.05 -0.523 . . . . 1.04 110.585 173.59 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.43 ' ND2' HD13 ' A' ' 13' ' ' LEU . 93.9 m-20 -62.08 -38.53 89.19 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.786 -0.643 . . . . 0.64 111.14 -178.218 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 57.5 t60 -64.15 -50.46 68.1 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.288 -0.415 . . . . 1.52 111.082 177.381 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 69.2 m -73.32 -27.41 61.51 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 112.797 0.665 . . . . 0.56 112.797 -173.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.1 pttp -76.18 -11.05 59.86 Favored 'General case' 0 N--CA 1.464 0.238 0 C-N-CA 120.065 -0.654 . . . . 2.52 110.141 177.7 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 53.4 m -84.96 -15.48 44.21 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.994 -0.548 . . . . 2.12 109.835 174.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 48.9 mt -91.41 127.12 43.96 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.379 0 CA-C-N 115.743 -0.662 . . . . 1.26 109.345 177.028 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 21.6 ttmm -65.01 131.33 46.29 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.344 0.593 . . . . 3.07 111.103 -177.538 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 105.38 -18.2 42.17 Favored Glycine 0 N--CA 1.448 -0.557 0 CA-C-N 115.142 -0.936 . . . . 0.79 112.317 -178.546 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -117.54 160.24 21.56 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.629 0.252 . . . . 1.3 110.416 179.713 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.28 4.15 8.48 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.015 0.436 . . . . 2.9 110.929 178.634 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 164.35 -174.7 40.43 Favored Glycine 0 N--CA 1.445 -0.721 0 C-N-CA 120.638 -0.791 . . . . 0.76 111.616 -179.613 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -165.56 172.46 41.08 Favored Glycine 0 N--CA 1.445 -0.739 0 C-N-CA 120.635 -0.793 . . . . 0.63 112.759 -175.5 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 11.6 p90 -147.65 151.68 36.59 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.14 -0.689 . . . . 1.57 109.14 -177.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 4.8 t -80.91 123.26 28.15 Favored 'General case' 0 C--N 1.32 -0.708 0 C-N-CA 120.294 -0.562 . . . . 1.1 109.802 179.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -133.66 -161.37 1.14 Allowed 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.605 -0.725 . . . . 1.49 110.191 -176.373 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.5 mptp? 55.2 59.12 4.16 Favored 'General case' 0 N--CA 1.465 0.292 0 O-C-N 123.424 0.453 . . . . 2.74 110.405 -179.206 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 90.01 -15.05 60.38 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.877 -0.678 . . . . 1.37 111.777 -177.031 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 95.75 38.77 4.57 Favored Glycine 0 N--CA 1.445 -0.724 0 C-N-CA 121.139 -0.553 . . . . 0.96 111.794 -178.603 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.413 ' CE2' ' HD3' ' A' ' 7' ' ' PRO . 93.3 m-85 -137.2 -11.26 1.68 Allowed 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 111.871 0.323 . . . . 1.15 111.871 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 59.9 t -111.5 115.47 49.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 C-N-CA 121.174 -0.21 . . . . 1.3 111.169 -177.145 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 37.6 t -64.89 106.5 1.24 Allowed 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.629 -0.508 . . . . 1.48 109.629 174.298 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.583 ' HD3' ' O ' ' A' ' 39' ' ' CYS . 14.1 tmtt? -113.42 131.95 55.82 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.37 0.605 . . . . 2.02 110.4 -175.187 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.583 ' O ' ' HD3' ' A' ' 38' ' ' LYS . 27.4 m -88.66 152.07 22.05 Favored 'General case' 0 C--N 1.309 -1.181 0 CA-C-N 115.137 -0.938 . . . . 0.59 110.038 -175.682 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 44.9 m-85 . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.483 -0.77 . . . . 1.72 111.859 -176.132 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 . . . . . 0 N--CA 1.463 0.201 0 CA-C-O 120.89 0.376 . . . . 1.37 111.827 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -162.92 -56.76 0.02 OUTLIER Glycine 0 N--CA 1.446 -0.662 0 N-CA-C 111.11 -0.796 . . . . 1.07 111.11 -179.679 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 36.7 m -70.17 124.18 23.48 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.325 -0.62 . . . . 1.48 109.325 173.587 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . 0.448 HD21 ' N ' ' A' ' 5' ' ' ASN . 0.9 OUTLIER -102.64 2.37 35.87 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.976 0.417 . . . . 1.57 109.992 -179.588 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 128.76 -179.73 16.45 Favored Glycine 0 N--CA 1.446 -0.698 0 N-CA-C 111.209 -0.757 . . . . 1.13 111.209 -177.176 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 14.8 Cg_endo -56.5 -26.54 64.17 Favored 'Trans proline' 0 N--CA 1.475 0.386 0 C-N-CA 123.357 2.705 . . . . 1.42 113.022 -177.225 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 3.7 p-90 -74.87 -17.31 60.61 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.818 -0.628 . . . . 4.95 111.379 179.211 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -161.81 79.03 0.55 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.214 0.531 . . . . 1.6 109.942 -176.501 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.583 ' HB3' ' SG ' ' A' ' 30' ' ' CYS . 34.1 mt-10 -96.68 72.2 2.64 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.077 -0.51 . . . . 1.62 110.243 -176.457 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -71.98 102.42 2.94 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.978 -0.555 . . . . 1.78 110.783 -179.484 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -69.18 -31.21 69.68 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.305 -0.862 . . . . 2.4 111.03 -176.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.419 HD13 HD22 ' A' ' 17' ' ' ASN . 0.2 OUTLIER -63.28 -58.47 7.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.264 -0.426 . . . . 1.58 111.654 -172.07 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.36 -41.92 73.2 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.554 0.576 . . . . 4.81 112.554 -178.302 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.408 ' HB3' ' HB3' ' A' ' 37' ' ' CYS . 89.8 m -65.29 -43.03 92.44 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-O 121.109 0.48 . . . . 1.47 110.213 175.127 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.515 ' O ' ' HG3' ' A' ' 20' ' ' LYS . 57.9 t60 -57.77 -39.7 78.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.365 -0.834 . . . . 1.04 110.394 177.458 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.419 HD22 HD13 ' A' ' 13' ' ' LEU . 95.1 m-20 -66.6 -51.06 60.54 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.171 -0.468 . . . . 0.64 111.477 178.565 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 85.8 t60 -56.94 -42.8 80.7 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.06 -0.518 . . . . 1.52 111.154 -176.539 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.406 ' O ' ' HB2' ' A' ' 25' ' ' TYR . 75.8 m -69.94 -30.26 67.59 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.185 -0.461 . . . . 0.56 111.427 -178.133 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.515 ' HG3' ' O ' ' A' ' 16' ' ' HIS . 48.3 mtmt -73.41 -31.17 63.72 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.015 0.436 . . . . 2.52 110.27 175.76 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 37.4 t -63.94 -25.51 68.18 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.754 -0.657 . . . . 2.12 110.097 176.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 62.1 mt -93.03 127.75 44.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.988 -0.551 . . . . 1.26 109.874 178.103 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 24.2 ttpp -61.61 132.41 53.22 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.219 -0.446 . . . . 3.07 110.308 178.652 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 112.21 -39.91 2.71 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 121.036 -0.602 . . . . 0.79 112.809 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.406 ' HB2' ' O ' ' A' ' 19' ' ' CYS . 47.0 m-85 -100.93 158.32 16.08 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.757 0.313 . . . . 1.3 110.683 -176.259 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.72 6.06 5.11 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.395 -0.366 . . . . 2.9 111.463 -178.626 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 175.48 173.51 41.28 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.654 -0.784 . . . . 0.76 112.037 177.19 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -158.03 126.65 1.75 Allowed Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.877 -0.678 . . . . 0.63 112.037 -178.699 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.82 ' HH ' ' HZ1' ' A' ' 38' ' ' LYS . 48.1 p90 -105.33 168.36 9.13 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 110.176 -0.305 . . . . 1.57 110.176 -178.836 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.583 ' SG ' ' HB3' ' A' ' 10' ' ' GLU . 1.2 m -83.72 98.6 9.76 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.145 0.497 . . . . 1.1 110.532 -177.061 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -103.53 -177.13 3.28 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.869 -0.605 . . . . 1.49 110.332 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.2 mptp? 56.09 45.24 23.91 Favored 'General case' 0 C--N 1.332 -0.184 0 O-C-N 123.417 0.448 . . . . 2.74 110.836 178.496 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 97.02 -4.39 62.84 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.8 -0.714 . . . . 1.37 112.022 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.83 19.21 22.8 Favored Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 120.772 -0.728 . . . . 0.96 111.999 -179.134 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -108.91 -39.75 5.23 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.843 0.354 . . . . 1.15 111.47 -176.546 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 93.2 t -92.86 124.7 45.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.141 -0.481 . . . . 1.3 111.22 -173.055 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.408 ' HB3' ' HB3' ' A' ' 15' ' ' CYS . 35.9 m -70.59 91.42 0.79 Allowed 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 116.028 -0.533 . . . . 1.48 110.179 176.02 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.82 ' HZ1' ' HH ' ' A' ' 29' ' ' TYR . 0.1 OUTLIER -85.02 119.32 25.29 Favored 'General case' 0 CA--C 1.509 -0.634 0 CA-C-O 121.66 0.743 . . . . 2.02 109.523 179.886 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 69.0 m -84.22 150.03 25.74 Favored 'General case' 0 C--N 1.3 -1.557 0 CA-C-N 114.178 -1.374 . . . . 0.59 111.222 -172.644 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 18.6 p90 . . . . . 0 C--O 1.248 1.0 0 CA-C-N 115.637 -0.71 . . . . 1.72 109.794 178.657 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 . . . . . 0 CA--C 1.522 -0.119 0 CA-C-O 121.32 0.581 . . . . 1.37 110.859 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -172.81 -53.94 0.05 OUTLIER Glycine 0 N--CA 1.442 -0.963 0 N-CA-C 110.714 -0.954 . . . . 1.07 110.714 179.022 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 31.7 m -79.6 132.85 36.37 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.628 -0.508 . . . . 1.48 109.628 174.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 44.7 m-80 -135.34 45.09 2.51 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.096 0.474 . . . . 1.57 110.182 -178.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 122.84 164.78 12.21 Favored Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.776 -0.726 . . . . 1.13 112.084 177.768 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_endo -64.44 -22.53 65.6 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.969 2.446 . . . . 1.42 112.72 -176.242 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 10.7 p-90 -86.9 -9.36 55.89 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.798 -0.637 . . . . 4.95 110.954 -179.421 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 28.7 t30 -156.11 81.85 1.0 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.117 -0.492 . . . . 1.6 110.043 -176.087 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.677 ' HB3' ' SG ' ' A' ' 30' ' ' CYS . 39.3 mt-10 -103.56 -78.93 0.55 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.2 -0.455 . . . . 1.62 110.645 -179.771 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.532 ' OD2' ' HG2' ' A' ' 14' ' ' ARG . 16.6 t70 65.46 98.49 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.616 0.722 . . . . 1.78 110.631 -173.746 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -63.1 -25.84 68.55 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.009 -0.996 . . . . 2.4 111.255 -177.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.511 HD11 ' ND2' ' A' ' 17' ' ' ASN . 0.0 OUTLIER -63.6 -45.9 88.25 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 116.382 -0.372 . . . . 1.58 110.667 -174.455 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.532 ' HG2' ' OD2' ' A' ' 11' ' ' ASP . 11.7 mmm180 -53.35 -60.03 3.82 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 121.173 0.511 . . . . 4.81 111.317 179.772 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 88.9 m -66.37 -30.54 70.94 Favored 'General case' 0 N--CA 1.442 -0.834 0 CA-C-N 115.92 -0.582 . . . . 1.47 111.581 -177.376 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.452 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 59.0 t60 -61.43 -52.34 64.99 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 110.016 -0.364 . . . . 1.04 110.016 171.159 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.511 ' ND2' HD11 ' A' ' 13' ' ' LEU . 50.1 m-20 -57.19 -35.36 69.51 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-N 115.891 -0.595 . . . . 0.64 110.893 179.522 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 7.2 t-160 -60.21 -68.76 0.26 Allowed 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.742 -0.663 . . . . 1.52 110.688 173.378 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.434 ' SG ' ' HA3' ' A' ' 28' ' ' GLY . 61.8 m -61.24 -35.82 78.29 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.198 -0.91 . . . . 0.56 113.28 -171.726 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.452 ' HG2' ' O ' ' A' ' 16' ' ' HIS . 21.8 ptmt -65.64 -20.25 66.23 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 120.848 0.356 . . . . 2.52 111.18 -177.785 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 17.3 m -82.28 -11.62 58.53 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.15 0.5 . . . . 2.12 110.454 -179.675 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 60.8 mt -92.98 127.34 45.14 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.528 0 N-CA-C 109.483 -0.562 . . . . 1.26 109.483 178.522 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 32.3 ttpt -57.85 127.34 31.59 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.129 -0.487 . . . . 3.07 110.184 179.046 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 106.55 -32.68 7.06 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.933 -0.651 . . . . 0.79 112.705 -178.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 47.1 m-85 -105.86 155.18 19.57 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.128 0.49 . . . . 1.3 110.991 -176.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -127.61 -20.6 3.93 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.826 -0.624 . . . . 2.9 111.645 -178.439 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.428 ' HA3' ' CZ ' ' A' ' 40' ' ' TYR . . . -150.37 170.35 30.31 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 119.839 -1.172 . . . . 0.76 113.041 -178.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.518 ' HA2' ' O ' ' A' ' 38' ' ' LYS . . . -156.18 135.06 4.35 Favored Glycine 0 N--CA 1.448 -0.548 0 N-CA-C 111.154 -0.778 . . . . 0.63 111.154 178.76 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.572 ' O ' ' HA ' ' A' ' 37' ' ' CYS . 33.9 p90 -130.61 144.72 51.61 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 117.309 0.554 . . . . 1.57 111.763 -174.209 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.677 ' SG ' ' HB3' ' A' ' 10' ' ' GLU . 0.0 OUTLIER -74.17 102.7 4.35 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 115.552 -0.749 . . . . 1.1 109.922 178.369 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -99.7 -79.59 0.49 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.128 -0.487 . . . . 1.49 111.488 -174.678 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -61.7 98.76 0.1 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.999 -0.546 . . . . 2.74 111.605 -174.601 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 71.66 6.88 63.83 Favored Glycine 0 N--CA 1.451 -0.313 0 CA-C-N 115.772 -0.649 . . . . 1.37 112.908 177.183 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 76.78 8.52 86.46 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.665 -0.778 . . . . 0.96 111.777 -174.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -101.45 -46.96 4.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.075 0.464 . . . . 1.15 111.103 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 48.6 t -87.65 109.82 19.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.124 -0.489 . . . . 1.3 111.04 -174.69 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.572 ' HA ' ' O ' ' A' ' 29' ' ' TYR . 94.9 m -87.83 117.55 26.75 Favored 'General case' 0 N--CA 1.442 -0.86 0 CA-C-N 115.96 -0.564 . . . . 1.48 110.725 177.47 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.518 ' O ' ' HA2' ' A' ' 28' ' ' GLY . 24.9 ttpp -97.84 139.12 34.16 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.123 -0.49 . . . . 2.02 110.345 179.317 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 65.7 m -96.59 140.45 31.18 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.607 -0.724 . . . . 0.59 110.452 -175.467 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.428 ' CZ ' ' HA3' ' A' ' 27' ' ' GLY . 46.8 p90 . . . . . 0 C--O 1.251 1.172 0 CA-C-O 118.273 -0.87 . . . . 1.72 109.504 176.037 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 . . . . . 0 N--CA 1.451 -0.397 0 CA-C-O 121.202 0.525 . . . . 1.37 110.392 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 88.19 7.51 73.22 Favored Glycine 0 N--CA 1.447 -0.622 0 N-CA-C 111.18 -0.768 . . . . 1.07 111.18 -175.371 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.463 ' SG ' ' HB2' ' A' ' 37' ' ' CYS . 8.7 m -133.05 88.13 2.47 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.825 -0.435 . . . . 1.48 109.825 -178.039 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 -124.82 22.11 8.19 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.245 -0.434 . . . . 1.57 110.469 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 126.14 168.99 12.74 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.503 -0.856 . . . . 1.13 112.861 178.234 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_exo -43.98 -38.97 10.75 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 124.046 3.164 . . . . 1.42 113.407 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -89.07 3.1 52.9 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.555 -0.748 . . . . 4.95 111.91 -174.332 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -131.18 -29.73 1.8 Allowed 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 111.763 0.282 . . . . 1.6 111.763 -177.339 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -49.14 126.7 13.17 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-O 121.243 0.544 . . . . 1.62 111.893 -177.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.448 ' OD2' ' HG2' ' A' ' 14' ' ' ARG . 25.0 t70 -138.34 124.53 20.33 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.348 -0.842 . . . . 1.78 109.792 178.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -66.25 -31.33 72.08 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.496 -0.774 . . . . 2.4 111.089 -175.655 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -76.39 -44.26 36.99 Favored 'General case' 0 N--CA 1.445 -0.706 0 CA-C-N 116.121 -0.491 . . . . 1.58 110.701 -177.071 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.448 ' HG2' ' OD2' ' A' ' 11' ' ' ASP . 24.9 mmm180 -54.96 -55.51 29.91 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 116.63 -0.259 . . . . 4.81 111.57 -179.848 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 46.6 t -60.14 -40.28 89.27 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.132 -0.485 . . . . 1.47 110.245 178.315 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.5 t60 -56.49 -49.2 75.36 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.208 -0.451 . . . . 1.04 110.538 174.584 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -58.3 -46.43 86.13 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.852 -0.613 . . . . 0.64 111.197 -179.566 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -62.2 -50.52 71.46 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.242 -0.435 . . . . 1.52 110.984 -179.696 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 93.3 m -71.04 -36.19 72.26 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 112.591 0.589 . . . . 0.56 112.591 -173.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.8 pttp -71.01 -15.28 62.55 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.876 0.369 . . . . 2.52 110.741 -178.493 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 23.5 m -86.81 -5.73 59.02 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.025 -0.534 . . . . 2.12 110.478 178.255 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 55.4 mt -101.24 124.56 55.01 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.481 0 CA-C-N 115.866 -0.606 . . . . 1.26 109.789 178.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 67.3 tttt -59.51 132.83 55.17 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 116.39 -0.368 . . . . 3.07 110.021 177.064 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 102.82 -16.93 54.01 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.726 -0.75 . . . . 0.79 111.978 -176.614 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -125.11 151.78 45.26 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.876 0.37 . . . . 1.3 110.376 179.694 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.41 ' HG2' ' CE2' ' A' ' 40' ' ' TYR . 0.0 OUTLIER -120.06 -17.32 8.42 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.166 -0.47 . . . . 2.9 111.259 -179.705 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -161.88 178.24 37.81 Favored Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 120.37 -0.919 . . . . 0.76 112.766 -179.27 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -161.64 158.38 30.21 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 121.032 -0.604 . . . . 0.63 112.339 -178.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.643 ' HH ' ' HZ2' ' A' ' 38' ' ' LYS . 14.3 p90 -150.32 151.97 33.74 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.574 0.226 . . . . 1.57 110.559 -179.021 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 13.8 m -82.85 101.2 10.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.027 0.441 . . . . 1.1 110.453 -178.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -96.38 -175.31 3.3 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.843 -0.617 . . . . 1.49 110.037 178.513 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp 57.46 50.84 10.58 Favored 'General case' 0 C--N 1.331 -0.2 0 O-C-N 123.504 0.502 . . . . 2.74 111.097 178.058 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 84.48 13.06 74.19 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 121.005 -0.617 . . . . 1.37 112.3 178.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 80.55 29.84 42.47 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.825 -0.702 . . . . 0.96 112.318 -178.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -115.34 -33.65 5.22 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 111.818 0.303 . . . . 1.15 111.818 -177.582 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 97.3 t -101.27 111.24 30.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 120.93 0.395 . . . . 1.3 111.205 -175.378 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.463 ' HB2' ' SG ' ' A' ' 4' ' ' CYS . 39.0 t -72.51 99.69 2.56 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.841 -0.618 . . . . 1.48 109.573 175.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.643 ' HZ2' ' HH ' ' A' ' 29' ' ' TYR . 21.1 ttpp -102.84 145.41 29.83 Favored 'General case' 0 CA--C 1.509 -0.62 0 N-CA-C 109.896 -0.409 . . . . 2.02 109.896 179.37 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 34.6 m -105.77 167.77 9.55 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 115.599 -0.728 . . . . 0.59 110.511 -175.561 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.41 ' CE2' ' HG2' ' A' ' 26' ' ' LYS . 38.7 p90 . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.58 -0.724 . . . . 1.72 109.244 172.469 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 . . . . . 0 C--O 1.23 0.045 0 CA-C-O 121.136 0.493 . . . . 1.37 111.249 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -162.43 -43.49 0.02 OUTLIER Glycine 0 N--CA 1.446 -0.641 0 N-CA-C 110.639 -0.984 . . . . 1.07 110.639 179.333 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 22.0 m -77.68 129.98 36.24 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 110.198 -0.297 . . . . 1.48 110.198 175.035 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 58.2 m-80 -141.02 54.77 1.56 Allowed 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.325 0.583 . . . . 1.57 109.925 178.224 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 109.83 160.49 18.45 Favored Glycine 0 N--CA 1.445 -0.742 0 C-N-CA 120.868 -0.682 . . . . 1.13 111.823 179.075 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_exo -50.9 -38.08 57.25 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 123.245 2.63 . . . . 1.42 112.184 -178.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -63.63 -26.54 68.72 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 114.761 -1.108 . . . . 4.95 111.362 -177.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 40.0 t30 -142.44 80.69 1.71 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.207 0.527 . . . . 1.6 110.281 -173.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.497 ' HB3' ' SG ' ' A' ' 30' ' ' CYS . 44.8 mt-10 -114.32 94.55 4.85 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.101 -0.5 . . . . 1.62 110.832 -178.262 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.654 ' OD2' ' HD2' ' A' ' 14' ' ' ARG . 12.7 t70 -105.25 95.72 6.03 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.753 -0.462 . . . . 1.78 109.753 174.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -68.66 -23.72 64.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.9 -0.591 . . . . 2.4 110.591 -178.161 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.447 HD13 ' ND2' ' A' ' 17' ' ' ASN . 0.0 OUTLIER -63.48 -50.85 68.03 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 116.325 -0.398 . . . . 1.58 110.654 -173.56 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.654 ' HD2' ' OD2' ' A' ' 11' ' ' ASP . 0.0 OUTLIER -51.59 -51.2 57.47 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.711 0.291 . . . . 4.81 111.557 176.397 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.428 ' HB3' ' HB3' ' A' ' 37' ' ' CYS . 75.9 m -68.17 -34.91 77.19 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 116.489 -0.323 . . . . 1.47 111.176 -178.087 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 45.8 t60 -59.74 -51.46 69.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 1.04 109.938 172.006 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.447 ' ND2' HD13 ' A' ' 13' ' ' LEU . 93.8 m-20 -60.13 -46.43 89.66 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.59 -0.732 . . . . 0.64 111.008 -179.189 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 77.8 t60 -59.75 -49.62 77.01 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.783 -0.644 . . . . 1.52 111.21 -179.535 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.461 ' O ' ' HB2' ' A' ' 25' ' ' TYR . 40.3 m -77.44 -26.42 51.52 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 112.67 0.619 . . . . 0.56 112.67 -174.532 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.4 pttp -75.76 -10.67 59.62 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.256 -0.577 . . . . 2.52 110.07 177.463 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 20.6 m -93.67 -9.69 37.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.946 -0.57 . . . . 2.12 110.466 176.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 73.8 mt -102.4 125.93 56.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.032 -0.531 . . . . 1.26 109.901 -179.506 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 33.4 ttpt -58.31 126.51 27.83 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.436 -0.347 . . . . 3.07 110.168 178.35 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 113.49 -23.99 12.88 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.947 -0.644 . . . . 0.79 112.419 -177.444 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.461 ' HB2' ' O ' ' A' ' 19' ' ' CYS . 39.7 m-85 -122.7 158.52 29.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.91 0.355 . . . . 1.3 110.244 178.827 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -133.91 1.84 3.33 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 121.014 -0.274 . . . . 2.9 111.571 173.671 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -176.77 172.73 45.69 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.287 -0.958 . . . . 0.76 112.593 178.095 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -160.31 158.81 30.22 Favored Glycine 0 N--CA 1.451 -0.337 0 N-CA-C 111.914 -0.475 . . . . 0.63 111.914 179.67 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.463 ' O ' ' HA ' ' A' ' 37' ' ' CYS . 45.3 p90 -148.42 155.33 41.08 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 110.19 -0.3 . . . . 1.57 110.19 -179.005 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.497 ' SG ' ' HB3' ' A' ' 10' ' ' GLU . 0.0 OUTLIER -73.03 100.75 3.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.057 0.456 . . . . 1.1 110.984 -177.92 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -111.71 -174.03 2.38 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.099 -0.5 . . . . 1.49 110.029 179.564 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt 52.54 54.97 9.75 Favored 'General case' 0 C--N 1.33 -0.265 0 O-C-N 123.573 0.546 . . . . 2.74 111.244 178.059 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 91.72 -2.37 76.68 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.778 -0.725 . . . . 1.37 112.482 179.282 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 93.91 19.25 34.59 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.82 -0.705 . . . . 0.96 111.967 -179.087 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -111.43 -56.64 2.35 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.838 0.351 . . . . 1.15 111.075 -178.083 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 63.9 t -79.57 114.95 21.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.101 -0.5 . . . . 1.3 110.559 -175.237 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.463 ' HA ' ' O ' ' A' ' 29' ' ' TYR . 93.2 m -75.93 94.49 3.38 Favored 'General case' 0 N--CA 1.439 -1.006 0 CA-C-O 120.976 0.417 . . . . 1.48 110.284 178.208 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 6.5 tmtt? -75.87 129.23 36.65 Favored 'General case' 0 CA--C 1.508 -0.652 0 N-CA-C 108.8 -0.815 . . . . 2.02 108.8 179.346 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 74.5 m -113.97 143.73 44.25 Favored 'General case' 0 C--N 1.304 -1.377 0 CA-C-N 115.139 -0.937 . . . . 0.59 111.484 -173.06 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 23.8 p90 . . . . . 0 C--O 1.25 1.105 0 CA-C-N 115.25 -0.886 . . . . 1.72 110.304 -176.511 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 . . . . . 0 N--CA 1.451 -0.42 0 CA-C-O 121.052 0.454 . . . . 1.37 110.119 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . 0.412 ' HA3' ' CB ' ' A' ' 14' ' ' ARG . . . 100.48 -51.32 1.01 Allowed Glycine 0 N--CA 1.447 -0.631 0 N-CA-C 110.398 -1.081 . . . . 1.07 110.398 -174.562 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.745 ' SG ' ' HA ' ' A' ' 10' ' ' GLU . 8.6 t -87.1 129.65 34.83 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.235 -0.654 . . . . 1.48 109.235 171.481 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 51.1 m-80 -134.97 33.33 3.16 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.445 -0.343 . . . . 1.57 111.176 -175.662 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . 0.448 ' HA2' ' O ' ' A' ' 34' ' ' GLY . . . 117.99 171.76 15.49 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.654 -0.784 . . . . 1.13 112.47 178.277 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 8.3 Cg_endo -49.71 -30.03 21.43 Favored 'Trans proline' 0 N--CA 1.474 0.364 0 C-N-CA 124.318 3.346 . . . . 1.42 113.854 -176.158 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 12.5 p-90 -72.61 -20.04 61.35 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.315 -0.402 . . . . 4.95 111.217 -178.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 51.7 t30 -158.48 64.38 0.43 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.166 0.508 . . . . 1.6 110.11 -172.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.745 ' HA ' ' SG ' ' A' ' 4' ' ' CYS . 42.7 mt-10 -89.55 77.43 7.23 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.208 -0.451 . . . . 1.62 110.248 179.074 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.472 ' OD2' ' HG2' ' A' ' 14' ' ' ARG . 11.3 t70 -74.45 97.56 3.11 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.385 -0.598 . . . . 1.78 109.385 175.615 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -68.52 -31.48 70.75 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.674 -0.694 . . . . 2.4 110.409 -175.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -61.13 -54.32 46.0 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.693 -0.685 . . . . 1.58 111.065 -176.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.472 ' HG2' ' OD2' ' A' ' 11' ' ' ASP . 15.6 mmm-85 -54.95 -56.02 24.26 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.104 -0.498 . . . . 4.81 111.523 -179.125 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.668 ' SG ' ' HB3' ' A' ' 4' ' ' CYS . 83.8 m -62.06 -33.45 74.42 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.443 -0.344 . . . . 1.47 111.554 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.422 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 33.0 t60 -59.11 -50.45 74.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.267 -0.424 . . . . 1.04 109.978 171.822 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 -66.92 -29.92 69.92 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.661 -0.699 . . . . 0.64 111.274 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 67.6 t60 -61.64 -42.71 99.27 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.014 0.435 . . . . 1.52 110.204 175.378 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 94.5 m -76.98 -13.63 59.94 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.139 -0.482 . . . . 0.56 110.839 178.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.422 ' HG2' ' O ' ' A' ' 16' ' ' HIS . 32.6 mmmt -76.68 -25.07 53.26 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.053 0.454 . . . . 2.52 109.996 173.066 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 15.6 m -74.39 -19.74 60.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.889 -0.596 . . . . 2.12 109.966 175.546 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 26.5 mt -101.22 134.45 41.37 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.469 0 CA-C-N 115.751 -0.658 . . . . 1.26 109.737 179.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 35.6 ttmt -76.83 138.73 40.0 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 120.998 0.428 . . . . 3.07 111.131 -178.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 104.57 -19.89 40.87 Favored Glycine 0 N--CA 1.45 -0.38 0 CA-C-N 115.525 -0.761 . . . . 0.79 113.253 177.44 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 50.1 m-85 -113.83 143.62 44.36 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.909 0.355 . . . . 1.3 110.985 -175.709 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.464 ' HB2' ' CE2' ' A' ' 40' ' ' TYR . 50.4 mmtt -92.53 -27.74 17.21 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.106 -0.497 . . . . 2.9 110.378 -179.64 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -173.09 -170.96 37.33 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.695 -0.765 . . . . 0.76 112.061 -177.706 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -146.6 157.28 27.35 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 121.078 -0.582 . . . . 0.63 112.033 -176.634 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 3.2 p90 -136.88 144.95 43.81 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.722 0.296 . . . . 1.57 110.89 -176.289 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 7.8 m -73.73 94.7 2.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.928 -0.578 . . . . 1.1 110.55 -178.298 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -109.25 -171.08 1.77 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.642 -0.708 . . . . 1.49 110.242 -178.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 32.4 mmmt 51.68 64.46 1.84 Allowed 'General case' 0 C--O 1.234 0.253 0 O-C-N 123.611 0.57 . . . . 2.74 110.781 -179.54 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 86.72 -6.85 81.83 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.904 -0.665 . . . . 1.37 111.801 -178.709 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.448 ' O ' ' HA2' ' A' ' 6' ' ' GLY . . . 93.39 11.53 58.24 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 121.175 -0.536 . . . . 0.96 112.314 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -109.91 -24.1 11.0 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.011 0.374 . . . . 1.15 112.011 -176.675 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 54.2 t -100.66 106.6 19.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 121.091 0.472 . . . . 1.3 110.826 -176.026 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.729 ' SG ' ' HB3' ' A' ' 4' ' ' CYS . 68.8 m -72.97 95.07 1.94 Allowed 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 115.651 -0.704 . . . . 1.48 110.893 178.379 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 24.3 ttpp -93.13 146.42 23.67 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.968 -0.56 . . . . 2.02 110.233 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 75.9 m -81.5 166.5 20.25 Favored 'General case' 0 C--N 1.311 -1.09 0 N-CA-C 108.54 -0.911 . . . . 0.59 108.54 176.085 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.464 ' CE2' ' HB2' ' A' ' 26' ' ' LYS . 10.3 m-30 . . . . . 0 C--O 1.247 0.939 0 CA-C-O 118.12 -0.943 . . . . 1.72 112.001 -177.57 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 50.2 m-85 . . . . . 0 N--CA 1.45 -0.43 0 CA-C-O 120.959 0.409 . . . . 1.37 110.151 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 83.66 -47.21 3.79 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 121.082 -0.58 . . . . 1.07 111.761 -179.245 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 53.7 t -71.4 94.82 1.28 Allowed 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.978 0.418 . . . . 1.48 110.097 178.071 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -108.29 4.45 24.61 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.317 -0.401 . . . . 1.57 111.295 -176.237 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 133.2 175.08 13.8 Favored Glycine 0 N--CA 1.445 -0.714 0 C-N-CA 120.761 -0.733 . . . . 1.13 111.559 -178.213 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_endo -62.43 -23.82 75.23 Favored 'Trans proline' 0 N--CA 1.471 0.148 0 C-N-CA 122.993 2.462 . . . . 1.42 112.328 -179.072 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 6.0 p-90 -74.04 -20.43 60.3 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.67 -0.696 . . . . 4.95 110.658 177.511 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -149.47 67.86 1.02 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.798 -0.637 . . . . 1.6 109.42 -174.688 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -88.52 67.0 8.43 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.519 -0.764 . . . . 1.62 110.139 -178.421 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.523 ' OD2' ' HB2' ' A' ' 14' ' ' ARG . 26.4 t70 -63.84 115.27 4.67 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.326 0.584 . . . . 1.78 110.619 -178.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -74.18 -42.73 59.39 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.149 -0.932 . . . . 2.4 111.51 -175.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.463 HD11 HD22 ' A' ' 17' ' ' ASN . 0.1 OUTLIER -63.62 -54.03 42.21 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.223 -0.444 . . . . 1.58 111.524 -169.778 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.523 ' HB2' ' OD2' ' A' ' 11' ' ' ASP . 0.9 OUTLIER -60.65 -42.32 96.75 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 111.79 0.293 . . . . 4.81 111.79 -178.003 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 37.2 t -65.65 -39.79 91.77 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.38 0.609 . . . . 1.47 109.564 177.018 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.459 ' O ' ' HG3' ' A' ' 20' ' ' LYS . 84.5 t60 -59.88 -44.15 94.36 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.536 -0.756 . . . . 1.04 110.377 175.47 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.463 HD22 HD11 ' A' ' 13' ' ' LEU . 92.8 m-20 -66.05 -45.31 81.85 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.241 -0.436 . . . . 0.64 110.992 178.743 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 74.4 t60 -54.47 -37.76 65.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.787 -0.642 . . . . 1.52 111.031 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 85.6 m -85.04 -15.95 42.37 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.065 -0.516 . . . . 0.56 111.877 -178.135 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.459 ' HG3' ' O ' ' A' ' 16' ' ' HIS . 54.9 mtpt -73.74 -31.75 63.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.103 0.478 . . . . 2.52 110.11 175.026 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.8 p -81.32 8.19 9.74 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.745 -0.661 . . . . 2.12 111.123 177.446 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 42.7 mt -118.86 111.56 34.12 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.535 0 N-CA-C 108.833 -0.802 . . . . 1.26 108.833 173.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 23.6 ttmm -68.0 133.59 49.3 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-O 121.485 0.659 . . . . 3.07 110.95 -175.069 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 109.59 -11.44 32.91 Favored Glycine 0 N--CA 1.447 -0.621 0 CA-C-N 114.962 -1.017 . . . . 0.79 111.767 -175.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 50.1 m-85 -123.84 169.55 11.45 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 110.282 -0.266 . . . . 1.3 110.282 178.334 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.494 ' N ' ' HD3' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -143.04 31.19 1.4 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.252 0.548 . . . . 2.9 111.121 -179.208 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 136.66 177.5 15.06 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.615 -0.802 . . . . 0.76 111.589 178.518 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -158.18 175.41 35.37 Favored Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 120.313 -0.946 . . . . 0.63 113.142 -177.04 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 10.7 p90 -151.0 167.69 26.87 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.799 -0.445 . . . . 1.57 109.799 179.302 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.497 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 84.2 m -81.72 96.65 7.62 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.055 0.455 . . . . 1.1 110.81 179.811 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -83.58 -177.0 6.57 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.49 -0.777 . . . . 1.49 110.215 178.337 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 48.3 mmtm 58.53 -150.72 0.43 Allowed 'General case' 0 C--O 1.233 0.23 0 N-CA-C 109.431 -0.581 . . . . 2.74 109.431 -176.6 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -52.16 -24.69 16.11 Favored Glycine 0 CA--C 1.522 0.521 0 C-N-CA 121.219 -0.515 . . . . 1.37 112.871 174.3 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 128.62 19.8 1.62 Allowed Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.804 -0.712 . . . . 0.96 112.859 174.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 77.0 m-85 -116.35 11.44 15.0 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 117.075 0.438 . . . . 1.15 111.692 -177.575 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.497 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 63.8 t -117.75 116.1 50.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 C-N-CA 120.953 -0.299 . . . . 1.3 111.21 -176.403 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 48.2 t -75.79 86.11 2.78 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.505 -0.554 . . . . 1.48 109.505 176.559 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.37 128.48 44.22 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.834 -0.621 . . . . 2.02 110.111 -175.541 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 33.7 m -87.71 160.1 18.23 Favored 'General case' 0 C--N 1.307 -1.264 0 CA-C-N 114.654 -1.157 . . . . 0.59 110.592 -174.669 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 . . . . . 0 C--O 1.252 1.188 0 CA-C-O 117.985 -1.007 . . . . 1.72 110.479 179.488 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . 0.499 ' O ' ' HB3' ' A' ' 14' ' ' ARG . 33.6 m-85 . . . . . 0 N--CA 1.468 0.433 0 CA-C-O 120.993 0.425 . . . . 1.37 111.334 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 88.1 -37.53 3.26 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 121.009 -0.615 . . . . 1.07 112.179 -178.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.477 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 46.0 t -84.2 106.09 15.56 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.989 0.424 . . . . 1.48 110.71 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 42.7 m-80 -108.51 12.74 25.88 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.951 0.405 . . . . 1.57 110.412 178.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 119.01 174.41 15.9 Favored Glycine 0 N--CA 1.445 -0.743 0 C-N-CA 121.032 -0.604 . . . . 1.13 112.571 177.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 13.6 Cg_endo -56.8 -29.18 80.0 Favored 'Trans proline' 0 C--O 1.233 0.243 0 C-N-CA 123.324 2.683 . . . . 1.42 112.731 -175.064 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 8.0 p-90 -75.83 -22.5 56.21 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.764 -0.653 . . . . 4.95 110.949 -179.152 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -160.74 69.16 0.36 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.319 0.581 . . . . 1.6 110.474 -174.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.418 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 2.1 pt-20 -110.75 161.01 16.21 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.201 -0.454 . . . . 1.62 110.71 177.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -142.27 107.79 5.06 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.772 -0.649 . . . . 1.78 109.589 -179.023 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -66.96 -22.65 65.92 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.124 -0.489 . . . . 2.4 111.531 -175.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.456 HD11 ' ND2' ' A' ' 17' ' ' ASN . 0.1 OUTLIER -76.54 -47.55 22.29 Favored 'General case' 0 N--CA 1.442 -0.831 0 CA-C-N 116.34 -0.391 . . . . 1.58 110.429 -174.845 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.499 ' HB3' ' O ' ' A' ' 2' ' ' PHE . 0.0 OUTLIER -60.71 -40.36 91.99 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.677 -0.238 . . . . 4.81 110.954 178.898 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.477 ' SG ' ' HB2' ' A' ' 4' ' ' CYS . 74.1 m -58.88 -53.19 61.22 Favored 'General case' 0 N--CA 1.447 -0.606 0 N-CA-C 109.857 -0.423 . . . . 1.47 109.857 174.247 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.512 ' O ' ' HG3' ' A' ' 20' ' ' LYS . 27.6 t60 -54.27 -54.45 39.9 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.784 -0.643 . . . . 1.04 111.392 178.881 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.456 ' ND2' HD11 ' A' ' 13' ' ' LEU . 89.4 m-20 -55.95 -48.54 75.58 Favored 'General case' 0 C--N 1.327 -0.39 0 O-C-N 123.485 0.491 . . . . 0.64 111.184 -176.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 74.0 t60 -58.26 -48.01 81.8 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.371 -0.377 . . . . 1.52 110.866 178.224 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 88.0 m -64.66 -47.42 78.55 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.383 0.512 . . . . 0.56 112.383 -175.125 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.512 ' HG3' ' O ' ' A' ' 16' ' ' HIS . 0.0 OUTLIER -80.34 -1.3 40.5 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.241 -0.584 . . . . 2.52 111.694 -176.821 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 69.3 m -82.53 -14.83 54.26 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.087 -0.708 . . . . 2.12 109.087 170.041 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 37.5 mt -98.69 135.6 32.97 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.648 0 CA-C-N 115.162 -0.926 . . . . 1.26 108.767 177.02 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 34.8 ttmt -72.19 134.79 45.87 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-O 121.265 0.555 . . . . 3.07 110.662 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 101.45 4.18 53.0 Favored Glycine 0 N--CA 1.449 -0.464 0 CA-C-N 115.271 -0.877 . . . . 0.79 112.636 -178.47 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 -134.93 158.99 42.86 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.699 0.285 . . . . 1.3 110.38 178.551 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.53 -28.06 2.56 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.404 -0.362 . . . . 2.9 111.637 177.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -146.69 175.07 26.3 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 119.831 -1.175 . . . . 0.76 113.161 -177.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -155.44 144.59 11.16 Favored Glycine 0 N--CA 1.446 -0.684 0 C-N-CA 121.103 -0.57 . . . . 0.63 112.012 178.681 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 6.3 p90 -144.78 159.81 42.26 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 110.365 -0.235 . . . . 1.57 110.365 179.529 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 81.8 m -75.37 106.8 7.09 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.113 0.482 . . . . 1.1 111.167 -178.146 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -121.91 -172.18 2.39 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.426 -0.806 . . . . 1.49 109.66 177.306 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.0 mmmm 52.23 63.5 2.22 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-O 121.151 0.5 . . . . 2.74 110.781 -179.595 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 92.24 -16.54 59.51 Favored Glycine 0 N--CA 1.448 -0.56 0 N-CA-C 111.251 -0.739 . . . . 1.37 111.251 -176.074 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 87.79 27.22 27.25 Favored Glycine 0 N--CA 1.444 -0.799 0 C-N-CA 121.013 -0.613 . . . . 0.96 111.759 -178.537 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 79.4 m-85 -119.88 -18.12 8.31 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.928 0.394 . . . . 1.15 110.76 179.513 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 48.1 t -103.25 124.12 57.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.174 -0.466 . . . . 1.3 110.796 -175.128 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 80.1 m -71.08 88.97 0.8 Allowed 'General case' 0 N--CA 1.447 -0.581 0 N-CA-C 109.712 -0.477 . . . . 1.48 109.712 173.608 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.415 ' HD2' ' N ' ' A' ' 39' ' ' CYS . 3.5 tmmm? -83.76 131.81 34.88 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.15 -0.685 . . . . 2.02 109.15 -179.526 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.415 ' N ' ' HD2' ' A' ' 38' ' ' LYS . 56.7 m -100.29 141.56 32.97 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 115.0 -1.0 . . . . 0.59 111.37 -171.368 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 46.2 p90 . . . . . 0 C--O 1.251 1.169 0 CA-C-O 118.131 -0.938 . . . . 1.72 109.533 175.206 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 71.6 m-85 . . . . . 0 N--CA 1.454 -0.235 0 CA-C-O 121.165 0.507 . . . . 1.37 110.12 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 99.39 -34.89 5.08 Favored Glycine 0 C--N 1.318 -0.425 0 N-CA-C 111.215 -0.754 . . . . 1.07 111.215 -177.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 23.5 m -80.49 98.2 7.46 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.225 -0.488 . . . . 1.48 110.185 177.543 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 54.7 m-80 -140.36 41.72 1.91 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.79 0.329 . . . . 1.57 111.186 -176.136 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 158.53 165.62 16.12 Favored Glycine 0 N--CA 1.444 -0.829 0 C-N-CA 120.229 -0.986 . . . . 1.13 112.696 179.188 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -77.06 -26.8 7.4 Favored 'Trans proline' 0 N--CA 1.464 -0.234 0 C-N-CA 122.503 2.135 . . . . 1.42 110.293 172.739 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 25.5 p-90 -105.14 -14.4 15.4 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 114.712 -1.131 . . . . 4.95 110.208 175.476 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -108.48 55.95 0.63 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.372 0.606 . . . . 1.6 109.897 -175.149 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -100.01 118.2 35.89 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.51 -0.768 . . . . 1.62 110.708 -179.505 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -117.67 102.71 9.37 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.151 0.5 . . . . 1.78 109.742 172.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 36.4 m-20 -78.83 -13.22 59.93 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.673 -0.694 . . . . 2.4 110.823 -175.494 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.416 HD13 HD22 ' A' ' 17' ' ' ASN . 0.1 OUTLIER -71.48 -53.27 14.48 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 109.968 -0.382 . . . . 1.58 109.968 -177.543 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -58.27 -38.6 77.31 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.209 -0.45 . . . . 4.81 111.106 177.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.3 t -65.83 -44.22 86.24 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.135 0.493 . . . . 1.47 109.812 175.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.428 ' HA ' ' H ' ' A' ' 28' ' ' GLY . 54.5 t60 -54.33 -47.9 72.0 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.744 -0.662 . . . . 1.04 110.595 174.041 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.436 ' HA ' ' HG2' ' A' ' 20' ' ' LYS . 92.9 m-20 -62.49 -41.05 98.55 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.864 -0.607 . . . . 0.64 111.026 -179.045 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 67.7 t60 -61.53 -48.89 78.97 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.137 -0.483 . . . . 1.52 111.014 176.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 74.6 m -76.87 -29.52 55.86 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.569 0.581 . . . . 0.56 112.569 -174.582 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.436 ' HG2' ' HA ' ' A' ' 17' ' ' ASN . 61.2 pttt -73.6 -14.62 61.22 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 121.126 0.489 . . . . 2.52 110.032 178.678 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 47.4 t -73.91 -26.36 60.49 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.815 -0.629 . . . . 2.12 109.656 174.506 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 54.6 mt -90.28 117.61 33.91 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.461 0 CA-C-N 115.453 -0.794 . . . . 1.26 109.454 177.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.2 ttmm -69.12 128.42 36.58 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.278 -0.419 . . . . 3.07 110.573 -175.491 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 118.07 -17.03 11.83 Favored Glycine 0 N--CA 1.449 -0.451 0 CA-C-N 115.736 -0.665 . . . . 0.79 112.279 -177.679 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 87.3 m-85 -113.02 141.57 46.71 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 110.105 -0.332 . . . . 1.3 110.105 179.058 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.639 ' HB2' ' CE2' ' A' ' 40' ' ' TYR . 91.0 mttt -80.33 -22.8 41.11 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.326 0.584 . . . . 2.9 110.601 -178.502 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 166.75 -160.11 33.66 Favored Glycine 0 N--CA 1.439 -1.136 0 CA-C-N 115.418 -0.81 . . . . 0.76 111.601 -179.504 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.428 ' H ' ' HA ' ' A' ' 16' ' ' HIS . . . -153.96 161.01 29.74 Favored Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 120.964 -0.636 . . . . 0.63 111.763 -176.588 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.728 ' HH ' ' HZ1' ' A' ' 38' ' ' LYS . 0.8 OUTLIER -154.5 157.96 39.15 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 110.083 -0.34 . . . . 1.57 110.083 -177.825 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 34.1 m -76.74 102.47 6.24 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.102 -0.499 . . . . 1.1 110.257 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -115.88 -173.9 2.43 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.572 -0.74 . . . . 1.49 110.245 -179.019 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 41.7 tptt 57.18 48.15 15.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.422 0.629 . . . . 2.74 110.332 175.599 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 103.65 -12.44 53.81 Favored Glycine 0 N--CA 1.447 -0.629 0 CA-C-N 115.687 -0.688 . . . . 1.37 111.627 -177.4 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 93.62 13.33 55.58 Favored Glycine 0 N--CA 1.446 -0.671 0 C-N-CA 120.944 -0.646 . . . . 0.96 111.813 -178.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 53.9 m-85 -112.66 -27.77 8.06 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.997 0.427 . . . . 1.15 110.669 -177.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 57.9 t -91.68 110.03 22.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 116.018 -0.537 . . . . 1.3 110.778 -174.513 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 44.0 t -67.1 102.49 1.02 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.766 -0.652 . . . . 1.48 109.533 174.753 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.728 ' HZ1' ' HH ' ' A' ' 29' ' ' TYR . 34.4 ttpt -106.56 147.89 28.9 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.463 -0.335 . . . . 2.02 110.4 -176.859 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 33.9 m -110.25 141.29 43.43 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.802 -0.635 . . . . 0.59 109.75 -178.355 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.639 ' CE2' ' HB2' ' A' ' 26' ' ' LYS . 52.2 p90 . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.751 -0.643 . . . . 1.72 110.243 179.496 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.686 0 N-CA-C 111.523 -0.631 . . . . 2.58 111.523 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 50.05 67.46 0.9 Allowed 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 122.955 0.502 . . . . 1.37 111.296 176.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 82.52 -47.15 3.7 Favored Glycine 0 N--CA 1.45 -0.425 0 CA-C-N 115.913 -0.585 . . . . 1.07 111.896 -178.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 49.6 t -74.56 119.43 18.74 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 120.977 0.418 . . . . 1.48 110.397 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -110.77 9.8 22.65 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.5 -0.318 . . . . 1.57 110.772 -179.124 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.442 ' HA2' ' O ' ' A' ' 34' ' ' GLY . . . 118.25 -175.69 15.82 Favored Glycine 0 N--CA 1.442 -0.9 0 C-N-CA 120.653 -0.784 . . . . 1.13 112.213 179.212 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -53.25 -31.11 54.5 Favored 'Trans proline' 0 CA--C 1.529 0.237 0 C-N-CA 123.728 2.952 . . . . 1.42 113.608 -175.601 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 8.8 p-90 -74.9 -24.0 58.46 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.857 0.36 . . . . 4.95 111.069 -179.334 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -151.88 71.02 0.96 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.435 -0.58 . . . . 1.6 109.435 -175.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -86.15 150.23 24.56 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.016 -0.735 . . . . 1.62 109.016 178.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.56 ' CG ' ' HD2' ' A' ' 14' ' ' ARG . 6.6 t0 -143.28 98.55 3.28 Favored 'General case' 0 C--N 1.319 -0.72 0 C-N-CA 120.537 -0.465 . . . . 1.78 110.588 -178.696 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -65.09 -30.14 71.06 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.669 -0.696 . . . . 2.4 110.778 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.538 HD13 ' NH2' ' A' ' 14' ' ' ARG . 2.4 tm? -75.36 -52.73 10.08 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.161 -0.472 . . . . 1.58 111.26 -173.175 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.56 ' HD2' ' CG ' ' A' ' 11' ' ' ASP . 0.0 OUTLIER -57.13 -45.53 83.43 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 120.899 -0.32 . . . . 4.81 111.112 178.463 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 74.6 m -58.83 -46.1 88.47 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-O 120.954 0.407 . . . . 1.47 110.16 176.032 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.3 t60 -54.01 -50.89 65.59 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-N 115.85 -0.614 . . . . 1.04 111.027 175.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.509 ' ND2' HD12 ' A' ' 13' ' ' LEU . 98.4 m-20 -62.17 -34.91 77.31 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.169 -0.469 . . . . 0.64 111.703 -177.548 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 65.9 t60 -68.86 -48.74 62.67 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.381 -0.372 . . . . 1.52 110.568 176.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 71.4 m -70.46 -34.99 73.05 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.212 -0.449 . . . . 0.56 112.156 -174.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 57.3 pttt -75.34 -8.49 56.81 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.692 -0.403 . . . . 2.52 110.532 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 17.5 t -84.78 -11.11 56.44 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.402 -0.592 . . . . 2.12 109.402 176.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 47.7 mt -105.2 114.54 45.02 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.492 0 CA-C-N 115.548 -0.751 . . . . 1.26 109.51 178.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 21.8 ttmm -56.12 131.71 48.36 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.07 0.462 . . . . 3.07 110.877 -178.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 114.44 -36.51 3.94 Favored Glycine 0 N--CA 1.447 -0.578 0 CA-C-N 115.546 -0.752 . . . . 0.79 112.031 -176.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 69.4 m-85 -100.92 163.83 12.12 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.634 0.254 . . . . 1.3 110.36 -179.269 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.98 -29.51 2.3 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.37 -0.377 . . . . 2.9 111.277 177.696 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.537 ' HA3' ' CZ ' ' A' ' 40' ' ' TYR . . . -137.73 169.28 24.19 Favored Glycine 0 N--CA 1.444 -0.78 0 C-N-CA 119.618 -1.277 . . . . 0.76 113.166 -176.695 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.601 ' HA2' ' O ' ' A' ' 38' ' ' LYS . . . -156.29 141.35 7.9 Favored Glycine 0 N--CA 1.446 -0.652 0 N-CA-C 111.277 -0.729 . . . . 0.63 111.277 179.437 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -151.81 158.08 42.81 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 117.005 0.402 . . . . 1.57 110.599 -177.205 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 10.1 m -69.62 97.95 1.1 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.101 -0.5 . . . . 1.1 110.331 -179.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -99.18 -81.86 0.45 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.221 -0.445 . . . . 1.49 111.448 -176.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -59.2 111.31 1.3 Allowed 'General case' 0 C--O 1.235 0.329 0 CA-C-O 120.969 0.414 . . . . 2.74 111.525 -176.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 70.34 -4.97 7.53 Favored Glycine 0 C--N 1.332 0.315 0 CA-C-N 115.349 -0.841 . . . . 1.37 112.74 179.221 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.442 ' O ' ' HA2' ' A' ' 6' ' ' GLY . . . 81.07 14.49 79.17 Favored Glycine 0 N--CA 1.444 -0.825 0 C-N-CA 120.696 -0.764 . . . . 0.96 111.418 -172.722 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -111.77 -44.74 3.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.892 0.377 . . . . 1.15 110.976 -179.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 60.7 t -78.73 122.19 33.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.908 -0.587 . . . . 1.3 111.677 -173.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 85.2 m -73.3 92.88 1.84 Allowed 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 116.116 -0.493 . . . . 1.48 109.942 173.363 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.601 ' O ' ' HA2' ' A' ' 28' ' ' GLY . 27.8 ttmt -73.71 136.83 43.76 Favored 'General case' 0 CA--C 1.51 -0.574 0 N-CA-C 109.24 -0.652 . . . . 2.02 109.24 176.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 62.5 m -103.6 133.54 48.45 Favored 'General case' 0 C--N 1.309 -1.159 0 CA-C-N 115.852 -0.613 . . . . 0.59 110.219 -177.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.537 ' CZ ' ' HA3' ' A' ' 27' ' ' GLY . 29.8 p90 . . . . . 0 C--O 1.25 1.113 0 CA-C-O 118.595 -0.717 . . . . 1.72 109.536 178.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.736 0 N-CA-C 112.082 -0.407 . . . . 2.58 112.082 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -84.03 64.91 8.43 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.295 0.569 . . . . 1.37 110.257 -178.402 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.469 ' HA2' ' CZ ' ' A' ' 14' ' ' ARG . . . 105.82 -13.63 45.8 Favored Glycine 0 N--CA 1.445 -0.716 0 CA-C-N 115.351 -0.84 . . . . 1.07 111.068 -176.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.443 ' HA ' ' HA ' ' A' ' 10' ' ' GLU . 55.8 m -102.9 107.58 18.46 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 114.961 -0.619 . . . . 1.48 110.083 179.375 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.4 ' HB2' ' HB3' ' A' ' 9' ' ' ASN . 37.8 m-80 -120.26 15.5 12.25 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 120.813 0.339 . . . . 1.57 110.57 -179.652 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 115.28 175.94 18.47 Favored Glycine 0 N--CA 1.443 -0.839 0 C-N-CA 120.615 -0.802 . . . . 1.13 112.237 179.191 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_endo -54.9 -26.88 50.82 Favored 'Trans proline' 0 N--CA 1.473 0.289 0 C-N-CA 123.616 2.877 . . . . 1.42 113.377 -175.24 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 9.8 p-90 -81.26 -22.35 38.76 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.091 -0.504 . . . . 4.95 111.159 -178.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.4 ' HB3' ' HB2' ' A' ' 5' ' ' ASN . 52.7 t-20 -155.06 64.27 0.64 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.224 0.535 . . . . 1.6 110.169 -172.214 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.461 ' HB2' ' SG ' ' A' ' 30' ' ' CYS . 7.1 pt-20 -120.15 94.87 4.53 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.373 0.606 . . . . 1.62 110.294 175.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -80.8 102.84 10.24 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.835 -0.62 . . . . 1.78 110.592 -179.428 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -55.93 -36.56 67.89 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.108 -0.951 . . . . 2.4 110.614 178.694 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.91 -46.8 76.95 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 115.731 -0.668 . . . . 1.58 110.48 -178.679 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.469 ' CZ ' ' HA2' ' A' ' 3' ' ' GLY . 0.0 OUTLIER -55.48 -49.73 71.77 Favored 'General case' 0 N--CA 1.441 -0.897 0 C-N-CA 123.214 0.606 . . . . 4.81 111.19 179.136 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 48.6 t -60.82 -48.18 82.99 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.402 -0.817 . . . . 1.47 110.127 177.413 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.409 ' NE2' ' HD3' ' A' ' 20' ' ' LYS . 51.3 t60 -52.56 -48.94 65.84 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.008 -0.542 . . . . 1.04 110.913 175.241 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -59.65 -42.23 92.33 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.014 -0.539 . . . . 0.64 111.214 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 78.4 t60 -62.62 -46.42 88.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 1.52 111.07 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 60.3 m -75.96 -36.87 59.12 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.265 -0.425 . . . . 0.56 112.08 -174.59 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.409 ' HD3' ' NE2' ' A' ' 16' ' ' HIS . 19.3 pttp -72.37 -18.24 61.76 Favored 'General case' 0 N--CA 1.463 0.194 0 C-N-CA 121.006 -0.278 . . . . 2.52 111.202 -176.255 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 12.9 p -92.37 6.36 47.22 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.156 0.503 . . . . 2.12 110.764 179.293 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 68.2 mt -112.41 122.22 66.24 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.497 0 CA-C-N 115.77 -0.65 . . . . 1.26 109.546 176.292 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 25.4 ttpp -60.08 132.33 53.6 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.896 0.379 . . . . 3.07 110.325 178.594 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 110.43 -21.72 23.53 Favored Glycine 0 N--CA 1.447 -0.63 0 CA-C-N 115.865 -0.607 . . . . 0.79 111.896 -176.031 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 69.3 m-85 -119.68 171.86 8.09 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.916 0.388 . . . . 1.3 110.257 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -138.54 -30.35 0.77 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.97 -0.559 . . . . 2.9 111.597 176.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -142.03 170.62 24.86 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 119.8 -1.191 . . . . 0.76 112.712 -177.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.402 ' HA2' ' O ' ' A' ' 38' ' ' LYS . . . -157.04 151.49 22.85 Favored Glycine 0 N--CA 1.445 -0.747 0 C-N-CA 120.785 -0.721 . . . . 0.63 112.108 179.721 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.544 ' HH ' ' HZ3' ' A' ' 38' ' ' LYS . 13.4 p90 -156.95 155.27 31.04 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.839 0.352 . . . . 1.57 110.116 177.206 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.461 ' SG ' ' HB2' ' A' ' 10' ' ' GLU . 3.4 m -80.97 105.19 12.0 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.347 -0.612 . . . . 1.1 109.347 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.74 -84.85 0.22 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.854 -0.612 . . . . 1.49 111.761 -171.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 50.2 mmtm -62.59 106.79 0.83 Allowed 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 116.283 -0.417 . . . . 2.74 111.57 -175.439 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 71.07 -2.26 19.74 Favored Glycine 0 C--N 1.331 0.258 0 CA-C-N 115.406 -0.815 . . . . 1.37 113.371 176.478 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 81.24 7.63 88.19 Favored Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 120.703 -0.761 . . . . 0.96 111.654 -173.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -98.97 -38.64 8.91 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.17 0.51 . . . . 1.15 110.606 179.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 61.9 t -84.78 111.41 20.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.901 -0.591 . . . . 1.3 111.316 -174.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 38.1 t -75.31 105.28 6.25 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.503 -0.771 . . . . 1.48 109.415 174.325 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.544 ' HZ3' ' HH ' ' A' ' 29' ' ' TYR . 32.1 ttmt -92.24 141.36 28.65 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 110.072 -0.344 . . . . 2.02 110.072 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 73.7 m -115.1 134.64 54.99 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 116.121 -0.49 . . . . 0.59 110.003 179.311 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 41.0 p90 . . . . . 0 C--O 1.251 1.141 0 CA-C-O 118.198 -0.906 . . . . 1.72 109.624 177.459 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.752 0 N-CA-C 112.072 -0.411 . . . . 2.58 112.072 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -84.19 58.96 5.06 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.079 0.466 . . . . 1.37 110.576 -178.052 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 89.5 -26.97 8.26 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 121.054 -0.593 . . . . 1.07 111.81 -177.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.503 ' SG ' ' HB2' ' A' ' 15' ' ' CYS . 84.7 m -89.07 92.39 9.19 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 120.948 0.404 . . . . 1.48 110.52 179.361 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -120.09 34.65 5.14 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.223 -0.444 . . . . 1.57 111.308 -177.426 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 109.65 170.13 20.26 Favored Glycine 0 C--O 1.219 -0.816 0 C-N-CA 120.811 -0.709 . . . . 1.13 113.281 173.123 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.566 ' HA ' ' OE1' ' A' ' 10' ' ' GLU . 9.5 Cg_endo -54.31 -26.61 44.23 Favored 'Trans proline' 0 N--CA 1.473 0.283 0 C-N-CA 123.652 2.901 . . . . 1.42 113.41 -175.415 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -96.55 -4.97 40.34 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.01 -0.541 . . . . 4.95 110.768 -177.673 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -152.97 41.35 0.57 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.868 0.366 . . . . 1.6 110.435 -172.756 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.566 ' OE1' ' HA ' ' A' ' 7' ' ' PRO . 4.6 pt-20 -103.77 89.55 3.36 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.542 0.686 . . . . 1.62 110.875 179.479 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -80.37 91.28 5.66 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.318 -0.855 . . . . 1.78 110.318 178.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -56.4 -33.18 65.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.922 -0.581 . . . . 2.4 110.616 179.14 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.479 HD11 ' ND2' ' A' ' 17' ' ' ASN . 2.8 tm? -57.59 -52.01 67.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.951 -0.568 . . . . 1.58 110.606 179.322 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 62.6 mtp180 -60.38 -46.83 88.56 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.92 -0.582 . . . . 4.81 111.643 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.503 ' HB2' ' SG ' ' A' ' 4' ' ' CYS . 43.5 t -55.4 -48.87 73.69 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.062 0.458 . . . . 1.47 110.266 173.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 33.4 t60 -52.03 -51.46 57.3 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.699 -0.682 . . . . 1.04 111.173 175.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.479 ' ND2' HD11 ' A' ' 13' ' ' LEU . 95.8 m-20 -63.13 -36.28 83.07 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.181 -0.463 . . . . 0.64 111.317 -178.308 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.46 ' O ' HG13 ' A' ' 22' ' ' ILE . 82.4 t60 -63.52 -42.31 98.47 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.804 0.335 . . . . 1.52 110.239 177.014 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 83.1 m -72.54 -20.52 61.32 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.059 -0.518 . . . . 0.56 111.366 -179.214 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 30.1 mmmt -79.27 -27.97 42.32 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.125 0.488 . . . . 2.52 110.412 174.386 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 38.6 m -74.31 -14.6 60.92 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.725 -0.67 . . . . 2.12 110.242 175.471 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.46 HG13 ' O ' ' A' ' 18' ' ' HIS . 49.2 mt -101.8 120.39 51.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.162 -0.472 . . . . 1.26 109.848 178.154 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 35.2 ttpt -65.3 136.76 56.96 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.407 -0.36 . . . . 3.07 110.37 179.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 101.33 12.9 34.62 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.733 -0.746 . . . . 0.79 113.198 177.263 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 74.1 m-85 -137.29 158.55 44.18 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 110.129 -0.322 . . . . 1.3 110.129 177.495 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.94 -13.93 8.54 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 111.653 0.242 . . . . 2.9 111.653 179.776 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -163.84 173.93 39.95 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.028 -1.082 . . . . 0.76 112.724 179.021 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -154.99 152.2 23.76 Favored Glycine 0 N--CA 1.448 -0.541 0 N-CA-C 111.617 -0.593 . . . . 0.63 111.617 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.3 p90 -156.27 156.17 33.59 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.725 0.298 . . . . 1.57 110.212 -178.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.5 m -82.72 102.53 11.59 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.095 0.474 . . . . 1.1 109.73 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -85.19 -79.67 0.23 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.931 -0.577 . . . . 1.49 111.862 -171.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp -67.76 105.59 1.98 Allowed 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 111.964 0.357 . . . . 2.74 111.964 -174.176 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 66.42 11.45 56.39 Favored Glycine 0 C--N 1.33 0.202 0 CA-C-N 115.569 -0.742 . . . . 1.37 113.32 174.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 73.6 9.78 78.83 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.749 -0.738 . . . . 0.96 112.169 -176.392 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 80.9 m-85 -103.93 -37.11 7.53 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 122.544 -0.386 . . . . 1.15 111.428 -179.218 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 45.8 t -92.05 110.9 23.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-O 120.992 0.425 . . . . 1.3 111.215 -173.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 15.8 t -73.79 121.62 21.14 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.527 -0.76 . . . . 1.48 109.813 176.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -115.84 144.5 43.92 Favored 'General case' 0 CA--C 1.512 -0.494 0 CA-C-O 120.973 0.416 . . . . 2.02 110.547 178.542 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 68.5 m -111.87 137.61 49.6 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.345 -0.843 . . . . 0.59 110.169 -178.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 17.0 p90 . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.284 -0.865 . . . . 1.72 110.136 178.323 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.504 0 N-CA-C 111.869 -0.492 . . . . 2.58 111.869 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -108.54 41.66 1.54 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.311 0.577 . . . . 1.37 109.639 179.489 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 141.82 -42.63 1.13 Allowed Glycine 0 N--CA 1.444 -0.775 0 N-CA-C 109.82 -1.312 . . . . 1.07 109.82 -171.092 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.597 ' HA ' ' HA ' ' A' ' 10' ' ' GLU . 30.7 m -84.35 94.02 8.38 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.435 -0.579 . . . . 1.48 109.435 172.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 -123.57 48.88 1.78 Allowed 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.358 -0.383 . . . . 1.57 110.765 -173.424 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 154.28 166.48 15.05 Favored Glycine 0 N--CA 1.446 -0.68 0 C-N-CA 120.534 -0.841 . . . . 1.13 112.16 179.564 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -73.58 -35.13 4.96 Favored 'Trans proline' 0 N--CA 1.466 -0.135 0 C-N-CA 122.456 2.104 . . . . 1.42 110.974 173.488 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 8.1 p-90 -97.17 -5.44 37.1 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.259 -0.882 . . . . 4.95 109.812 176.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 63.2 t30 -128.1 32.28 4.93 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.714 0.768 . . . . 1.6 110.096 -172.066 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.597 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 1.2 pt-20 -92.21 101.6 14.11 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.656 -0.702 . . . . 1.62 110.479 177.497 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -104.08 111.58 24.22 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.18 -0.464 . . . . 1.78 110.426 178.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -74.55 -14.03 60.75 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.912 -0.586 . . . . 2.4 111.387 -176.06 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.438 HD13 ' ND2' ' A' ' 17' ' ' ASN . 0.1 OUTLIER -73.51 -51.72 16.06 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 121.131 -0.227 . . . . 1.58 110.426 -174.459 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.35 -40.73 78.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.541 -0.3 . . . . 4.81 110.918 179.476 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.462 ' HB3' ' HB3' ' A' ' 37' ' ' CYS . 67.6 m -70.44 -34.62 72.67 Favored 'General case' 0 N--CA 1.444 -0.754 0 CA-C-N 116.538 -0.301 . . . . 1.47 111.323 178.245 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 49.6 t60 -60.12 -50.77 72.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.89 0.376 . . . . 1.04 110.093 172.016 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.438 ' ND2' HD13 ' A' ' 13' ' ' LEU . 95.0 m-20 -62.34 -39.91 94.66 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.702 -0.681 . . . . 0.64 110.494 179.356 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 4.3 t-80 -53.73 -67.07 0.29 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.684 -0.689 . . . . 1.52 111.058 174.086 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 80.7 m -57.33 -40.0 77.03 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.106 -0.952 . . . . 0.56 112.612 -173.268 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 51.9 pttt -72.68 -11.84 60.79 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.535 -0.466 . . . . 2.52 111.178 -177.433 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.7 m -89.84 -0.02 57.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.241 0.543 . . . . 2.12 110.021 176.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 61.2 mt -106.7 129.16 60.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.619 -0.719 . . . . 1.26 109.326 176.175 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 17.9 ttmm -63.3 129.9 42.22 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.942 -0.392 . . . . 3.07 109.942 -179.435 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 105.4 -13.14 47.75 Favored Glycine 0 N--CA 1.446 -0.656 0 C-N-CA 120.988 -0.625 . . . . 0.79 112.18 -177.002 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 50.8 m-85 -128.52 151.72 49.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.655 0.264 . . . . 1.3 110.71 -179.647 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.56 6.49 3.5 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.426 -0.352 . . . . 2.9 111.713 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.504 ' HA3' ' CE2' ' A' ' 40' ' ' TYR . . . -168.94 165.8 39.2 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.28 -0.962 . . . . 0.76 112.625 177.538 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.46 ' HA2' ' O ' ' A' ' 38' ' ' LYS . . . -161.87 146.18 11.77 Favored Glycine 0 N--CA 1.449 -0.487 0 N-CA-C 111.563 -0.615 . . . . 0.63 111.563 -178.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.581 ' HH ' ' NZ ' ' A' ' 38' ' ' LYS . 50.8 p90 -148.36 157.97 43.81 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 110.286 -0.264 . . . . 1.57 110.286 -177.158 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -70.98 103.11 2.58 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.263 -0.643 . . . . 1.1 109.263 178.114 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -95.71 -89.0 0.26 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.57 0.224 . . . . 1.49 111.53 -174.439 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.458 ' HZ2' ' HB3' ' A' ' 32' ' ' LYS . 0.7 OUTLIER -68.19 114.28 6.54 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-O 120.875 0.369 . . . . 2.74 110.955 -173.913 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 72.43 -0.21 42.97 Favored Glycine 0 N--CA 1.452 -0.246 0 CA-C-N 115.641 -0.709 . . . . 1.37 112.755 178.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 78.12 11.3 85.5 Favored Glycine 0 N--CA 1.447 -0.633 0 C-N-CA 120.767 -0.73 . . . . 0.96 111.703 -174.169 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -113.3 -43.98 3.29 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.037 0.446 . . . . 1.15 110.762 -179.038 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 86.8 t -78.31 104.2 6.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.926 -0.579 . . . . 1.3 110.556 -176.666 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.548 ' HA ' ' O ' ' A' ' 29' ' ' TYR . 85.6 m -77.08 107.16 9.24 Favored 'General case' 0 N--CA 1.44 -0.947 0 CA-C-N 115.935 -0.575 . . . . 1.48 110.784 179.515 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.581 ' NZ ' ' HH ' ' A' ' 29' ' ' TYR . 2.2 tmmm? -85.59 129.83 34.72 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.733 -0.667 . . . . 2.02 109.447 -178.444 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.5 ' N ' ' HD2' ' A' ' 38' ' ' LYS . 61.1 m -99.44 134.3 42.51 Favored 'General case' 0 C--N 1.31 -1.143 0 CA-C-N 115.0 -1.0 . . . . 0.59 110.131 -177.552 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.504 ' CE2' ' HA3' ' A' ' 27' ' ' GLY . 14.1 p90 . . . . . 0 C--O 1.246 0.881 0 CA-C-O 118.414 -0.803 . . . . 1.72 110.332 179.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.646 0 N-CA-C 111.731 -0.548 . . . . 2.58 111.731 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 55.1 m-85 -84.92 61.81 7.07 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.287 0.565 . . . . 1.37 109.933 -177.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.483 ' HA2' ' CZ ' ' A' ' 14' ' ' ARG . . . 90.77 -42.32 2.89 Favored Glycine 0 N--CA 1.444 -0.8 0 N-CA-C 110.935 -0.866 . . . . 1.07 110.935 -174.796 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 40.5 t -85.55 115.81 23.47 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-N 115.248 -0.476 . . . . 1.48 109.852 174.301 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 39.0 m-80 -125.21 38.37 4.2 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.882 -0.599 . . . . 1.57 109.843 -179.399 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.456 ' HA2' ' O ' ' A' ' 34' ' ' GLY . . . 92.67 175.59 41.47 Favored Glycine 0 N--CA 1.444 -0.821 0 C-N-CA 120.758 -0.734 . . . . 1.13 113.153 176.873 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -35.91 -37.45 0.23 Allowed 'Trans proline' 0 CA--C 1.53 0.288 1 C-N-CA 125.322 4.015 . . . . 1.42 114.984 -179.378 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -86.38 -5.08 59.25 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.985 -0.552 . . . . 4.95 111.919 -171.284 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 47.0 t30 -170.2 56.24 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.459 0.647 . . . . 1.6 109.592 -178.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.79 65.69 3.05 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.998 -0.546 . . . . 1.62 111.137 -177.512 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -73.23 106.87 5.25 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.944 -0.571 . . . . 1.78 109.932 178.305 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -72.08 -32.41 67.01 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.654 -0.703 . . . . 2.4 111.121 -176.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.407 HD13 HD22 ' A' ' 17' ' ' ASN . 0.1 OUTLIER -64.12 -49.65 71.37 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 116.442 -0.345 . . . . 1.58 111.042 -173.755 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.483 ' CZ ' ' HA2' ' A' ' 3' ' ' GLY . 83.2 mtp180 -53.15 -50.34 64.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.833 0.349 . . . . 4.81 111.465 178.739 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.6 t -63.79 -42.01 97.82 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.229 -0.441 . . . . 1.47 110.697 177.287 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.414 ' O ' ' HG3' ' A' ' 20' ' ' LYS . 66.4 t60 -54.81 -43.83 73.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.908 -0.587 . . . . 1.04 109.989 175.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.407 HD22 HD13 ' A' ' 13' ' ' LEU . 94.9 m-20 -64.91 -45.48 85.74 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.743 -0.662 . . . . 0.64 110.816 176.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 83.8 t60 -57.07 -48.1 79.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.856 -0.611 . . . . 1.52 111.085 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.51 ' O ' ' HB2' ' A' ' 25' ' ' TYR . 84.8 m -67.32 -30.53 70.39 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.173 -0.467 . . . . 0.56 111.368 -177.7 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.414 ' HG3' ' O ' ' A' ' 16' ' ' HIS . 59.3 mtpt -72.19 -32.36 66.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.741 0.305 . . . . 2.52 110.832 178.228 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 18.1 t -65.42 -27.24 68.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.241 0.543 . . . . 2.12 109.818 177.138 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 46.6 mt -88.71 116.6 30.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.775 -0.648 . . . . 1.26 109.364 174.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 35.6 ttmt -63.25 131.51 48.62 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-O 121.432 0.634 . . . . 3.07 110.867 -178.027 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 114.55 -14.94 20.11 Favored Glycine 0 N--CA 1.446 -0.684 0 CA-C-N 115.038 -0.983 . . . . 0.79 112.289 -177.311 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.51 ' HB2' ' O ' ' A' ' 19' ' ' CYS . 60.3 m-85 -123.44 154.48 39.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.917 0.389 . . . . 1.3 111.093 -178.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.15 -8.27 10.18 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.789 -0.641 . . . . 2.9 111.31 -179.174 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 174.76 -176.41 46.98 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.493 -0.861 . . . . 0.76 112.174 178.584 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -139.23 175.88 21.35 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.845 -0.693 . . . . 0.63 112.095 179.444 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.466 ' O ' ' HA ' ' A' ' 37' ' ' CYS . 15.9 p90 -155.48 140.66 17.51 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.834 0.349 . . . . 1.57 110.418 176.631 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 8.3 m -73.39 99.04 2.85 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.942 -0.572 . . . . 1.1 110.184 177.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -92.33 -82.17 0.33 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.291 -0.413 . . . . 1.49 111.843 -173.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -59.52 106.97 0.52 Allowed 'General case' 0 C--O 1.235 0.309 0 CA-C-N 116.336 -0.393 . . . . 2.74 111.293 -174.177 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 67.64 6.12 41.11 Favored Glycine 0 N--CA 1.451 -0.308 0 CA-C-N 115.818 -0.628 . . . . 1.37 113.009 177.356 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.456 ' O ' ' HA2' ' A' ' 6' ' ' GLY . . . 76.93 8.5 86.73 Favored Glycine 0 N--CA 1.446 -0.667 0 C-N-CA 120.663 -0.78 . . . . 0.96 112.138 -175.192 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 71.4 m-85 -105.28 -43.34 5.03 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.058 0.456 . . . . 1.15 111.021 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 59.1 t -85.37 105.17 13.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.04 -0.527 . . . . 1.3 110.664 -173.536 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.466 ' HA ' ' O ' ' A' ' 29' ' ' TYR . 18.4 t -83.29 125.37 31.54 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.099 -0.5 . . . . 1.48 110.177 179.693 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.56 ' HD2' ' N ' ' A' ' 39' ' ' CYS . 0.0 OUTLIER -114.14 140.82 48.2 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.804 -0.635 . . . . 2.02 109.313 -179.275 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.56 ' N ' ' HD2' ' A' ' 38' ' ' LYS . 82.8 m -87.96 154.91 20.13 Favored 'General case' 0 C--N 1.311 -1.081 0 CA-C-N 115.763 -0.653 . . . . 0.59 111.273 -176.047 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 36.3 p90 . . . . . 0 C--O 1.25 1.127 0 CA-C-O 118.853 -0.594 . . . . 1.72 109.575 176.656 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.66 0 N-CA-C 112.057 -0.417 . . . . 2.58 112.057 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 46.7 m-85 -89.65 63.25 6.14 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.19 0.519 . . . . 1.37 109.919 -178.294 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 92.6 -40.89 2.8 Favored Glycine 0 N--CA 1.448 -0.512 0 N-CA-C 111.216 -0.754 . . . . 1.07 111.216 -176.396 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 34.6 t -68.45 102.76 1.5 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.035 0.445 . . . . 1.48 110.066 177.184 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 31.3 m-80 -111.26 13.38 21.71 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.917 -0.583 . . . . 1.57 110.675 -179.112 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 113.03 -171.33 13.82 Favored Glycine 0 N--CA 1.443 -0.869 0 C-N-CA 120.542 -0.837 . . . . 1.13 112.36 178.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_endo -57.62 -31.32 91.5 Favored 'Trans proline' 0 N--CA 1.473 0.302 0 C-N-CA 123.313 2.675 . . . . 1.42 113.606 -173.625 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 3.0 p-90 -75.32 -13.94 60.45 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.821 0.343 . . . . 4.95 111.313 -178.496 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -168.83 76.04 0.11 Allowed 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.652 -0.499 . . . . 1.6 109.652 -179.341 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.442 ' HB3' ' SG ' ' A' ' 30' ' ' CYS . 39.9 mt-10 -78.1 -25.34 47.47 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.989 0.423 . . . . 1.62 110.195 -179.327 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.7 t70 60.93 -165.5 0.22 Allowed 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.4 -0.818 . . . . 1.78 109.818 179.045 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -171.35 -45.84 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 109.644 -0.502 . . . . 2.4 109.644 -179.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.1 -48.37 78.85 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.47 -0.786 . . . . 1.58 110.247 -178.097 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -62.78 -45.01 94.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.122 -0.49 . . . . 4.81 111.525 -178.31 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.445 ' HB3' ' HB3' ' A' ' 37' ' ' CYS . 91.4 m -58.5 -45.2 89.25 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-O 121.471 0.653 . . . . 1.47 109.979 174.772 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 75.0 t60 -60.97 -46.21 91.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.171 -0.922 . . . . 1.04 111.089 178.046 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -56.13 -51.8 66.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.435 . . . . 0.64 111.627 -179.061 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 74.6 t60 -58.43 -43.26 88.65 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.121 -0.491 . . . . 1.52 111.404 -178.135 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 68.8 m -78.42 -28.88 46.88 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 112.077 0.399 . . . . 0.56 112.077 -175.246 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.3 pttp -81.55 -11.63 59.09 Favored 'General case' 0 N--CA 1.462 0.171 0 C-N-CA 120.546 -0.462 . . . . 2.52 110.698 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 29.4 t -75.27 -21.71 58.33 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.343 -0.614 . . . . 2.12 109.343 174.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 28.8 mt -97.32 136.47 28.02 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.55 0 CA-C-N 115.328 -0.851 . . . . 1.26 109.375 179.191 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 56.1 tttt -83.41 132.49 34.97 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 121.297 0.57 . . . . 3.07 110.264 178.435 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 116.23 -16.28 15.18 Favored Glycine 0 N--CA 1.446 -0.653 0 CA-C-N 115.072 -0.967 . . . . 0.79 111.124 -174.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 76.7 m-85 -122.03 153.18 38.94 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 110.123 -0.325 . . . . 1.3 110.123 178.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.84 20.75 4.59 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.793 0.33 . . . . 2.9 111.615 -178.115 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 166.1 171.71 32.59 Favored Glycine 0 N--CA 1.444 -0.833 0 C-N-CA 120.109 -1.044 . . . . 0.76 113.138 176.414 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.561 ' HA2' ' O ' ' A' ' 38' ' ' LYS . . . -149.85 149.02 20.88 Favored Glycine 0 N--CA 1.447 -0.624 0 N-CA-C 111.611 -0.596 . . . . 0.63 111.611 179.449 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.9 p90 -156.42 154.51 30.58 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 110.269 -0.271 . . . . 1.57 110.269 -179.031 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.442 ' SG ' ' HB3' ' A' ' 10' ' ' GLU . 33.7 m -65.46 117.77 8.45 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 110.161 -0.311 . . . . 1.1 110.161 178.762 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -134.98 -73.71 0.47 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.463 -0.335 . . . . 1.49 111.466 -179.074 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -61.24 112.53 2.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.3 -0.409 . . . . 2.74 110.561 -178.066 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 74.03 -8.85 10.54 Favored Glycine 0 CA--C 1.52 0.382 0 C-N-CA 121.202 -0.523 . . . . 1.37 112.634 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 80.67 4.87 90.22 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 121.383 -0.436 . . . . 0.96 112.606 -177.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -123.69 -8.28 7.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.863 0.364 . . . . 1.15 111.421 -178.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 71.3 t -103.63 121.68 55.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.429 -0.35 . . . . 1.3 111.416 -177.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.445 ' HB3' ' HB3' ' A' ' 15' ' ' CYS . 45.1 m -69.63 95.35 0.85 Allowed 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 116.155 -0.475 . . . . 1.48 109.888 172.428 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.561 ' O ' ' HA2' ' A' ' 28' ' ' GLY . 25.9 ttmt -73.43 138.68 45.36 Favored 'General case' 0 CA--C 1.514 -0.43 0 N-CA-C 109.625 -0.509 . . . . 2.02 109.625 177.738 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 60.3 m -100.21 133.91 43.91 Favored 'General case' 0 C--N 1.315 -0.935 0 CA-C-N 115.982 -0.554 . . . . 0.59 110.03 -179.52 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 21.5 p90 . . . . . 0 C--O 1.247 0.933 0 CA-C-O 118.462 -0.78 . . . . 1.72 110.309 -179.654 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.81 0 N-CA-C 112.103 -0.399 . . . . 2.58 112.103 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -82.12 66.75 7.85 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.537 0.684 . . . . 1.37 109.799 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.402 ' C ' ' HB2' ' A' ' 11' ' ' ASP . . . 86.08 -49.31 4.09 Favored Glycine 0 N--CA 1.445 -0.75 0 CA-C-N 115.042 -0.981 . . . . 1.07 111.159 -176.667 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 49.8 t -70.02 127.54 33.21 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.428 -0.386 . . . . 1.48 110.165 178.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 46.0 m-80 -136.14 34.75 2.81 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.064 0.459 . . . . 1.57 110.664 179.591 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 119.36 170.34 14.53 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.768 -0.729 . . . . 1.13 112.491 177.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_exo -54.89 -37.69 92.87 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 123.265 2.644 . . . . 1.42 111.944 -178.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -64.91 -27.52 68.91 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 114.975 -1.011 . . . . 4.95 111.028 -178.353 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -139.65 67.13 1.39 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.328 0.585 . . . . 1.6 109.972 -177.474 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -85.19 80.57 9.16 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.604 -0.726 . . . . 1.62 110.419 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.402 ' HB2' ' C ' ' A' ' 3' ' ' GLY . 1.0 OUTLIER -65.9 90.15 0.13 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.361 0.601 . . . . 1.78 110.47 175.64 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -68.6 -38.11 80.34 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.087 -0.961 . . . . 2.4 111.225 -174.473 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.454 HD12 ' ND2' ' A' ' 17' ' ' ASN . 0.1 OUTLIER -72.55 -40.67 66.51 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 110.247 -0.279 . . . . 1.58 110.247 -175.565 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 25.6 mmm180 -55.06 -54.17 46.47 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.522 -0.308 . . . . 4.81 110.709 175.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.6 t -60.67 -42.57 97.34 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.0 -0.545 . . . . 1.47 110.324 176.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.415 ' HA ' ' H ' ' A' ' 28' ' ' GLY . 50.8 t60 -57.23 -47.27 81.77 Favored 'General case' 0 CA--C 1.528 0.132 0 CA-C-N 115.976 -0.556 . . . . 1.04 110.543 177.413 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.454 ' ND2' HD12 ' A' ' 13' ' ' LEU . 82.7 m-20 -63.34 -41.52 98.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.907 -0.588 . . . . 0.64 110.986 179.192 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 71.1 t60 -59.65 -44.68 93.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.934 -0.576 . . . . 1.52 110.784 178.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 76.7 m -78.24 -24.98 46.7 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.291 -0.413 . . . . 0.56 111.676 -177.242 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.402 ' HG3' ' O ' ' A' ' 16' ' ' HIS . 58.0 mtpt -66.43 -32.69 74.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.925 0.393 . . . . 2.52 110.018 173.374 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 23.1 t -66.57 -27.53 67.8 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.706 -0.679 . . . . 2.12 110.172 177.535 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 45.6 mt -86.2 111.45 21.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.109 -0.496 . . . . 1.26 110.045 178.392 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 22.3 ttmm -59.3 135.19 57.57 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.339 -0.392 . . . . 3.07 110.404 -179.569 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 111.31 -35.6 4.66 Favored Glycine 0 N--CA 1.446 -0.641 0 CA-C-N 115.69 -0.686 . . . . 0.79 111.584 -176.26 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 71.8 m-85 -103.02 161.5 13.71 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 110.251 -0.277 . . . . 1.3 110.251 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -124.97 4.82 7.99 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.718 0.294 . . . . 2.9 111.248 179.281 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 168.63 -178.39 42.11 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.477 -0.868 . . . . 0.76 112.265 177.582 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.415 ' H ' ' HA ' ' A' ' 16' ' ' HIS . . . -157.82 165.39 33.59 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.847 -0.692 . . . . 0.63 112.074 -178.617 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 7.9 p90 -148.82 167.23 26.2 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.866 0.365 . . . . 1.57 110.807 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 57.0 m -77.76 97.91 5.35 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.828 -0.624 . . . . 1.1 110.685 -179.296 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -100.24 -175.73 3.02 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.741 -0.663 . . . . 1.49 110.769 -178.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt 55.16 50.93 14.14 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 115.904 -0.589 . . . . 2.74 111.411 177.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 92.69 4.34 65.63 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.983 -0.627 . . . . 1.37 112.17 179.011 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 86.21 42.84 6.48 Favored Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 120.82 -0.705 . . . . 0.96 112.194 -178.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -134.03 -46.86 0.78 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.851 0.357 . . . . 1.15 111.525 -178.529 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 58.1 t -84.2 128.56 38.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.297 -0.411 . . . . 1.3 111.252 -174.113 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 41.1 t -76.66 93.31 3.61 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.264 -0.425 . . . . 1.48 109.872 178.344 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 32.8 ttpt -94.87 144.67 25.47 Favored 'General case' 0 CA--C 1.512 -0.492 0 N-CA-C 110.002 -0.37 . . . . 2.02 110.002 -179.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 60.8 m -107.8 142.53 37.69 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-N 115.949 -0.568 . . . . 0.59 111.147 -173.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 21.8 p90 . . . . . 0 C--O 1.25 1.111 0 CA-C-O 118.771 -0.633 . . . . 1.72 110.248 177.657 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.703 0 N-CA-C 111.643 -0.583 . . . . 2.58 111.643 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.422 ' O ' ' HB3' ' A' ' 14' ' ' ARG . 79.5 m-85 -116.96 18.8 14.6 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.005 0.431 . . . . 1.37 111.082 -179.811 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.422 ' HA3' ' CB ' ' A' ' 14' ' ' ARG . . . 151.4 -32.89 0.93 Allowed Glycine 0 N--CA 1.445 -0.703 0 CA-C-N 115.914 -0.584 . . . . 1.07 111.924 179.429 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.437 ' C ' HD21 ' A' ' 5' ' ' ASN . 11.4 t -86.89 135.39 33.33 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.683 0.278 . . . . 1.48 110.41 -179.01 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.437 HD21 ' C ' ' A' ' 4' ' ' CYS . 0.9 OUTLIER -121.18 1.65 10.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.617 0.246 . . . . 1.57 111.429 -177.904 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 133.53 176.62 14.48 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.691 -0.766 . . . . 1.13 111.665 -177.203 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_endo -57.17 -29.15 82.44 Favored 'Trans proline' 0 C--O 1.233 0.24 0 C-N-CA 123.198 2.599 . . . . 1.42 112.54 -178.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 7.0 p-90 -69.67 -27.01 64.66 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.725 -0.671 . . . . 4.95 110.664 178.001 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -144.92 72.24 1.33 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.8 -0.636 . . . . 1.6 109.604 -174.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -91.56 109.2 20.5 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.441 -0.8 . . . . 1.62 110.677 -179.593 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -107.04 73.72 0.95 Allowed 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.791 -0.64 . . . . 1.78 109.997 176.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -60.69 -28.67 68.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.314 -0.857 . . . . 2.4 110.411 -178.472 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.455 HD11 ' ND2' ' A' ' 17' ' ' ASN . 0.1 OUTLIER -62.32 -47.25 85.09 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 116.138 -0.483 . . . . 1.58 109.918 178.785 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.422 ' HB3' ' O ' ' A' ' 2' ' ' PHE . 19.7 mmm180 -57.02 -48.93 77.32 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.092 -0.503 . . . . 4.81 111.109 176.386 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 38.4 m -56.08 -46.69 78.92 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-N 115.767 -0.651 . . . . 1.47 110.337 175.512 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.493 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 75.0 t60 -57.16 -51.13 70.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.919 -0.582 . . . . 1.04 110.925 176.583 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.455 ' ND2' HD11 ' A' ' 13' ' ' LEU . 91.5 m-20 -61.11 -32.63 72.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.388 -0.369 . . . . 0.64 111.448 -178.313 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 78.9 t60 -71.86 -46.77 56.78 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.845 0.355 . . . . 1.52 110.829 176.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 84.2 m -71.74 -29.6 64.7 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.216 -0.447 . . . . 0.56 111.813 -174.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.493 ' HG2' ' O ' ' A' ' 16' ' ' HIS . 21.5 ptmt -78.04 -4.62 48.12 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 121.021 0.439 . . . . 2.52 110.582 177.129 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 25.3 t -89.46 -3.95 58.18 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.248 -0.649 . . . . 2.12 109.248 173.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 50.8 mt -111.89 126.22 69.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.435 -0.802 . . . . 1.26 109.513 179.248 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -63.73 136.83 57.76 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.899 0.381 . . . . 3.07 110.779 -178.552 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 103.58 -38.0 3.46 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 121.076 -0.583 . . . . 0.79 112.1 179.24 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 83.0 m-85 -88.82 148.62 23.81 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.723 0.297 . . . . 1.3 110.338 -178.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -116.73 -20.88 9.33 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.299 -0.41 . . . . 2.9 111.718 -177.347 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.428 ' HA3' ' CZ ' ' A' ' 40' ' ' TYR . . . -153.92 174.89 32.37 Favored Glycine 0 N--CA 1.444 -0.773 0 C-N-CA 119.315 -1.421 . . . . 0.76 113.913 -177.404 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.514 ' HA2' ' O ' ' A' ' 38' ' ' LYS . . . -156.38 153.65 24.9 Favored Glycine 0 N--CA 1.444 -0.787 0 N-CA-C 111.106 -0.798 . . . . 0.63 111.106 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.901 ' HH ' ' HZ2' ' A' ' 38' ' ' LYS . 6.8 p90 -164.45 166.41 20.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.83 0.315 . . . . 1.57 110.325 -177.502 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 62.9 m -78.09 100.93 6.74 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 121.297 0.57 . . . . 1.1 110.969 -179.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -117.83 -166.83 1.24 Allowed 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.53 -0.759 . . . . 1.49 109.633 177.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.407 ' HB3' ' HB ' ' A' ' 36' ' ' VAL . 26.2 tptp 57.06 52.25 9.38 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-O 121.719 0.771 . . . . 2.74 109.779 178.032 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 95.08 -11.2 69.6 Favored Glycine 0 N--CA 1.45 -0.427 0 CA-C-N 115.393 -0.821 . . . . 1.37 111.758 -177.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 95.73 33.0 6.59 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 121.067 -0.587 . . . . 0.96 111.917 -178.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -129.1 -38.87 1.59 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.129 0.49 . . . . 1.15 111.051 -178.13 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.407 ' HB ' ' HB3' ' A' ' 32' ' ' LYS . 95.8 t -88.61 130.01 38.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.867 -0.606 . . . . 1.3 111.252 -173.372 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 93.6 m -74.58 87.82 2.14 Favored 'General case' 0 N--CA 1.444 -0.745 0 CA-C-N 116.016 -0.538 . . . . 1.48 110.379 175.519 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.901 ' HZ2' ' HH ' ' A' ' 29' ' ' TYR . 37.7 ttmt -72.03 144.33 48.82 Favored 'General case' 0 CA--C 1.513 -0.446 0 N-CA-C 110.057 -0.349 . . . . 2.02 110.057 178.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 85.7 m -110.45 134.35 52.42 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 115.804 -0.635 . . . . 0.59 109.648 176.269 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.428 ' CZ ' ' HA3' ' A' ' 27' ' ' GLY . 42.0 p90 . . . . . 0 C--O 1.25 1.108 0 CA-C-O 118.563 -0.732 . . . . 1.72 109.778 178.39 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.719 0 N-CA-C 111.86 -0.496 . . . . 2.58 111.86 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.572 ' O ' ' HB3' ' A' ' 14' ' ' ARG . 22.3 m-85 65.04 8.3 4.64 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.459 0.703 . . . . 1.37 111.994 177.054 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.546 ' HA3' ' CB ' ' A' ' 14' ' ' ARG . . . 144.22 -13.69 2.09 Favored Glycine 0 N--CA 1.443 -0.893 0 N-CA-C 110.916 -0.874 . . . . 1.07 110.916 -175.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 88.0 m -92.69 126.53 37.82 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.922 0.391 . . . . 1.48 111.238 176.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 38.1 m-80 -127.64 29.74 5.43 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.464 0.65 . . . . 1.57 109.931 176.469 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.517 ' O ' ' HG3' ' A' ' 10' ' ' GLU . . . 117.7 164.05 13.08 Favored Glycine 0 C--O 1.223 -0.552 0 CA-C-N 115.248 -0.887 . . . . 1.13 112.078 178.49 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -64.83 -15.3 49.61 Favored 'Trans proline' 0 N--CA 1.472 0.22 0 C-N-CA 123.086 2.524 . . . . 1.42 112.317 -177.326 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 12.1 p-90 -89.64 -14.8 34.11 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.282 -0.872 . . . . 4.95 110.545 177.172 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -153.79 55.92 0.73 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.564 0.697 . . . . 1.6 111.021 -172.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.517 ' HG3' ' O ' ' A' ' 6' ' ' GLY . 0.0 OUTLIER -103.4 133.05 49.1 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.182 -0.463 . . . . 1.62 110.307 173.076 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.473 ' OD2' ' HG2' ' A' ' 14' ' ' ARG . 19.8 t70 -102.45 115.42 30.53 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.053 0.454 . . . . 1.78 110.884 -176.268 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -66.89 -32.39 73.61 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.428 -0.806 . . . . 2.4 111.033 -176.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.422 HD12 ' ND2' ' A' ' 17' ' ' ASN . 0.1 OUTLIER -68.83 -43.4 75.6 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.879 -0.6 . . . . 1.58 109.793 -177.721 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.572 ' HB3' ' O ' ' A' ' 2' ' ' PHE . 24.6 mmm180 -55.28 -53.6 54.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.911 -0.586 . . . . 4.81 111.105 176.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 66.2 m -54.46 -42.52 70.75 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 116.383 -0.371 . . . . 1.47 110.694 176.54 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 57.6 t60 -59.2 -52.89 63.75 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.403 -0.362 . . . . 1.04 110.751 175.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.422 ' ND2' HD12 ' A' ' 13' ' ' LEU . 92.7 m-20 -60.12 -41.06 91.82 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.14 -0.482 . . . . 0.64 111.316 -178.026 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 84.2 t60 -62.64 -48.05 81.06 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.842 -0.617 . . . . 1.52 111.127 179.302 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 74.7 m -77.98 -31.82 50.94 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 112.455 0.539 . . . . 0.56 112.455 -174.556 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 58.3 pttt -69.79 -20.38 63.47 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.962 0.41 . . . . 2.52 110.404 -179.442 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 29.2 t -85.3 -2.2 57.8 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 115.931 -0.577 . . . . 2.12 110.087 179.205 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 54.8 mt -109.68 115.31 49.31 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.508 0 CA-C-N 115.816 -0.629 . . . . 1.26 109.424 177.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 26.3 ttpp -55.68 133.63 50.83 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.922 0.391 . . . . 3.07 110.378 -179.24 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 109.63 -34.05 5.71 Favored Glycine 0 N--CA 1.448 -0.531 0 CA-C-N 115.758 -0.655 . . . . 0.79 111.884 -176.142 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -112.05 150.59 30.44 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.764 -0.458 . . . . 1.3 109.764 -179.392 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.02 -6.0 11.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.328 0.585 . . . . 2.9 110.695 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 179.77 179.19 48.77 Favored Glycine 0 N--CA 1.445 -0.711 0 C-N-CA 120.957 -0.639 . . . . 0.76 111.558 -179.279 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -160.38 170.23 36.35 Favored Glycine 0 N--CA 1.445 -0.762 0 C-N-CA 120.364 -0.922 . . . . 0.63 112.419 -178.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 8.9 p90 -143.13 152.34 41.7 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 110.057 -0.349 . . . . 1.57 110.057 -179.226 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.5 t -80.48 120.38 24.4 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.128 0.489 . . . . 1.1 110.543 -177.064 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -136.66 -166.58 1.92 Allowed 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.626 -0.715 . . . . 1.49 110.247 -178.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 47.2 mmtm 53.89 58.71 4.82 Favored 'General case' 0 C--O 1.233 0.188 0 O-C-N 123.668 0.605 . . . . 2.74 111.226 179.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 94.58 -6.18 70.64 Favored Glycine 0 N--CA 1.447 -0.622 0 CA-C-N 115.53 -0.759 . . . . 1.37 111.689 -179.105 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 84.23 38.06 10.45 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.985 -0.626 . . . . 0.96 112.126 -178.576 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.413 ' CE2' ' HA2' ' A' ' 6' ' ' GLY . 96.9 m-85 -134.23 -21.93 1.8 Allowed 'General case' 0 C--O 1.233 0.215 0 N-CA-C 112.062 0.393 . . . . 1.15 112.062 178.796 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 61.6 t -98.54 113.64 33.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 C-N-CA 121.04 -0.264 . . . . 1.3 111.354 -175.073 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 51.7 m -71.36 78.19 0.75 Allowed 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 116.31 -0.404 . . . . 1.48 110.392 173.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 19.7 ttpp -72.84 144.82 47.32 Favored 'General case' 0 CA--C 1.514 -0.411 0 CA-C-O 120.901 0.381 . . . . 2.02 110.24 -177.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 59.0 m -104.4 160.98 14.47 Favored 'General case' 0 C--N 1.313 -1.007 0 CA-C-N 115.77 -0.65 . . . . 0.59 110.46 -175.305 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 4.4 p90 . . . . . 0 C--O 1.25 1.118 0 CA-C-O 118.746 -0.645 . . . . 1.72 110.557 176.89 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.718 0 N-CA-C 112.306 -0.317 . . . . 2.58 112.306 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 63.5 m-85 -128.76 63.94 1.45 Allowed 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.391 -0.596 . . . . 1.37 109.391 179.369 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.479 ' O ' ' HB2' ' A' ' 11' ' ' ASP . . . 93.5 46.46 3.23 Favored Glycine 0 N--CA 1.442 -0.921 0 N-CA-C 110.765 -0.934 . . . . 1.07 110.765 -172.315 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 45.3 t -161.57 95.01 0.99 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.136 -0.532 . . . . 1.48 109.895 -178.181 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 35.4 m-80 -108.72 33.83 4.0 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.167 0.508 . . . . 1.57 110.717 -177.642 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 109.78 171.94 20.41 Favored Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.894 -0.669 . . . . 1.13 112.717 176.215 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -53.96 -29.09 52.54 Favored 'Trans proline' 0 C--O 1.233 0.257 0 C-N-CA 123.536 2.824 . . . . 1.42 113.185 -176.497 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 25.5 p-90 -81.66 -19.36 41.84 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.287 -0.415 . . . . 4.95 110.965 -179.165 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -144.51 47.96 1.36 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.272 0.558 . . . . 1.6 110.585 -173.205 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -99.75 96.5 7.65 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.739 -0.664 . . . . 1.62 110.44 178.806 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.486 ' C ' ' H ' ' A' ' 13' ' ' LEU . 10.1 m-20 -62.02 -45.05 95.29 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.543 -0.54 . . . . 1.78 109.543 175.697 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.2 t70 73.41 -37.45 0.38 Allowed 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 124.218 1.007 . . . . 2.4 111.236 173.321 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.486 ' H ' ' C ' ' A' ' 11' ' ' ASP . 0.1 OUTLIER -69.82 -42.29 73.84 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.219 -0.901 . . . . 1.58 109.427 -179.477 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 67.6 mtp180 -57.38 -46.36 83.48 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.157 -0.929 . . . . 4.81 111.312 178.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 88.3 m -60.06 -40.89 91.03 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.874 0.369 . . . . 1.47 110.935 174.233 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 69.3 t60 -59.8 -48.98 79.49 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.051 -0.522 . . . . 1.04 110.489 176.223 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -61.26 -43.13 99.38 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.921 -0.582 . . . . 0.64 110.725 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 81.9 t60 -57.06 -49.7 75.05 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.981 -0.554 . . . . 1.52 111.213 177.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.428 ' O ' ' HB2' ' A' ' 25' ' ' TYR . 54.2 m -84.83 -28.93 25.74 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 113.068 0.766 . . . . 0.56 113.068 -172.486 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 17.0 pttm -72.93 -12.65 61.03 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.118 -0.633 . . . . 2.52 110.149 179.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 28.4 t -87.79 -24.1 23.86 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.816 -0.629 . . . . 2.12 110.036 176.008 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 72.5 mt -79.01 121.26 31.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 109.592 -0.522 . . . . 1.26 109.592 178.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 23.6 ttpp -56.84 128.5 37.0 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.222 -0.445 . . . . 3.07 110.354 -178.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 106.85 -20.06 34.5 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.782 -0.723 . . . . 0.79 112.405 -177.21 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.428 ' HB2' ' O ' ' A' ' 19' ' ' CYS . 70.6 m-85 -117.27 155.44 29.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.891 0.377 . . . . 1.3 110.626 178.108 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.34 -3.58 2.41 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.012 -0.54 . . . . 2.9 111.285 178.144 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.484 ' HA3' ' CZ ' ' A' ' 40' ' ' TYR . . . -152.19 165.87 30.91 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.321 -0.942 . . . . 0.76 113.047 179.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.623 ' HA2' ' O ' ' A' ' 38' ' ' LYS . . . -167.94 111.0 0.42 Allowed Glycine 0 C--O 1.227 -0.292 0 N-CA-C 111.215 -0.754 . . . . 0.63 111.215 178.494 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.47 ' O ' ' HA ' ' A' ' 37' ' ' CYS . 6.1 p90 -135.55 151.4 50.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 117.129 0.464 . . . . 1.57 111.165 -171.326 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 19.0 m -74.29 102.36 4.33 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.883 -0.414 . . . . 1.1 109.883 179.568 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -98.13 -77.57 0.5 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.011 0.434 . . . . 1.49 111.066 -177.427 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp -67.69 116.36 8.31 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.964 -0.562 . . . . 2.74 111.491 -175.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 69.63 1.55 31.07 Favored Glycine 0 C--N 1.33 0.231 0 CA-C-N 115.496 -0.774 . . . . 1.37 113.404 175.07 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 71.88 19.14 78.03 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.544 -0.836 . . . . 0.96 111.567 -173.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 58.5 m-85 -120.31 -37.73 3.01 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.639 0.257 . . . . 1.15 111.4 179.39 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 61.4 t -83.25 104.88 12.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 120.843 0.354 . . . . 1.3 111.322 -175.408 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.47 ' HA ' ' O ' ' A' ' 29' ' ' TYR . 95.5 m -77.42 92.97 4.02 Favored 'General case' 0 N--CA 1.443 -0.778 0 CA-C-N 115.861 -0.609 . . . . 1.48 110.224 174.795 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.623 ' O ' ' HA2' ' A' ' 28' ' ' GLY . 36.7 ttpt -76.3 141.66 41.55 Favored 'General case' 0 CA--C 1.508 -0.669 0 N-CA-C 109.367 -0.605 . . . . 2.02 109.367 178.165 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 84.1 m -123.35 133.85 54.08 Favored 'General case' 0 C--N 1.308 -1.225 0 CA-C-N 115.933 -0.576 . . . . 0.59 110.445 -175.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.484 ' CZ ' ' HA3' ' A' ' 27' ' ' GLY . 23.0 p90 . . . . . 0 C--O 1.248 0.998 0 CA-C-O 118.029 -0.986 . . . . 1.72 109.982 -174.69 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.732 0 N-CA-C 111.759 -0.536 . . . . 2.58 111.759 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -103.16 27.0 7.59 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.87 0.367 . . . . 1.37 110.736 -177.515 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 67.4 33.69 82.73 Favored Glycine 0 N--CA 1.449 -0.48 0 CA-C-N 115.795 -0.639 . . . . 1.07 111.95 -178.414 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.479 ' HA ' ' HA ' ' A' ' 10' ' ' GLU . 24.9 t -122.13 -89.95 0.59 Allowed 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.918 -0.401 . . . . 1.48 109.918 -179.314 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 58.67 23.71 11.32 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 112.981 0.734 . . . . 1.57 112.981 174.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 111.04 159.13 15.84 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.527 -0.844 . . . . 1.13 113.216 175.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.46 ' HA ' ' CG ' ' A' ' 10' ' ' GLU . 16.6 Cg_endo -59.72 -25.93 80.61 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 123.537 2.825 . . . . 1.42 113.252 -173.685 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 17.1 p-90 -72.48 -15.64 61.8 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.67 -0.695 . . . . 4.95 111.678 -178.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -134.39 -18.98 1.94 Allowed 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.384 0.513 . . . . 1.6 112.384 -170.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.479 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 0.0 OUTLIER -60.85 145.1 51.26 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 113.262 0.838 . . . . 1.62 113.262 -171.807 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.445 ' OD2' ' HD3' ' A' ' 14' ' ' ARG . 20.5 t70 -130.5 130.82 44.66 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 114.557 -1.202 . . . . 1.78 109.474 176.091 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 34.4 m-20 -67.16 -25.06 65.97 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.676 -0.693 . . . . 2.4 111.861 -174.205 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.476 HD12 ' ND2' ' A' ' 17' ' ' ASN . 0.1 OUTLIER -75.66 -47.85 24.6 Favored 'General case' 0 N--CA 1.449 -0.519 0 N-CA-C 110.435 -0.209 . . . . 1.58 110.435 -175.611 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.445 ' HD3' ' OD2' ' A' ' 11' ' ' ASP . 9.2 mpt_? -59.43 -48.23 82.44 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 121.212 -0.195 . . . . 4.81 111.323 179.136 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 38.8 t -60.88 -43.62 98.19 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.953 -0.388 . . . . 1.47 109.953 177.594 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 75.0 t60 -58.05 -50.28 73.99 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.254 -0.43 . . . . 1.04 111.033 175.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.476 ' ND2' HD12 ' A' ' 13' ' ' LEU . 91.5 m-20 -61.03 -45.36 95.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.169 -0.469 . . . . 0.64 111.097 -178.188 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 49.2 t60 -57.78 -49.95 74.89 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.223 -0.444 . . . . 1.52 110.795 178.151 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 89.5 m -68.71 -39.44 80.46 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.018 -0.537 . . . . 0.56 112.237 -174.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 44.4 pttt -73.84 -12.19 60.61 Favored 'General case' 0 N--CA 1.463 0.195 0 C-N-CA 120.354 -0.538 . . . . 2.52 110.937 -179.506 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 55.6 m -81.15 -11.21 59.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.379 0.609 . . . . 2.12 109.978 175.038 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 62.6 mt -99.29 121.34 49.79 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.531 0 CA-C-N 115.441 -0.8 . . . . 1.26 109.184 177.283 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.467 ' HZ1' ' HB2' ' A' ' 23' ' ' LYS . 2.5 ttmp? -63.53 131.15 47.18 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-O 121.342 0.592 . . . . 3.07 110.571 -177.785 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 109.9 -20.04 27.18 Favored Glycine 0 N--CA 1.445 -0.745 0 CA-C-N 115.059 -0.973 . . . . 0.79 111.975 -175.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 64.4 m-85 -114.91 158.26 22.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.574 0.226 . . . . 1.3 110.435 179.025 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -127.09 -19.49 4.36 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.499 -0.319 . . . . 2.9 111.853 179.719 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -156.05 -179.46 31.12 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.304 -0.95 . . . . 0.76 112.593 179.384 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -159.29 152.67 23.69 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.674 -0.774 . . . . 0.63 112.666 -179.228 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 15.6 p90 -149.54 146.65 27.47 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 110.05 -0.352 . . . . 1.57 110.05 177.284 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.418 ' O ' ' HA2' ' A' ' 34' ' ' GLY . 81.5 m -79.21 101.12 7.81 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.042 0.448 . . . . 1.1 110.71 178.447 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -104.5 -168.3 1.47 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.325 -0.852 . . . . 1.49 110.297 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt 52.61 60.24 3.94 Favored 'General case' 0 C--O 1.234 0.245 0 O-C-N 123.66 0.6 . . . . 2.74 110.823 179.644 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 90.46 -10.01 75.79 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.96 -0.638 . . . . 1.37 111.812 -179.043 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.418 ' HA2' ' O ' ' A' ' 30' ' ' CYS . . . 93.36 14.5 53.65 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 121.038 -0.601 . . . . 0.96 112.17 -179.128 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -103.74 -27.68 12.11 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.811 0.338 . . . . 1.15 111.201 -178.076 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.412 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 45.7 t -99.44 111.17 28.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.457 -0.338 . . . . 1.3 111.362 -172.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 44.5 t -68.06 95.19 0.54 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.331 -0.618 . . . . 1.48 109.331 174.419 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.572 ' HD2' ' N ' ' A' ' 39' ' ' CYS . 1.6 tmmm? -95.05 134.31 37.88 Favored 'General case' 0 CA--C 1.513 -0.454 0 CA-C-O 121.244 0.545 . . . . 2.02 109.616 -177.388 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.572 ' N ' ' HD2' ' A' ' 38' ' ' LYS . 65.4 m -101.12 140.68 35.08 Favored 'General case' 0 C--N 1.308 -1.226 0 CA-C-N 114.978 -1.01 . . . . 0.59 111.064 -174.209 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 37.7 p90 . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.437 -0.792 . . . . 1.72 110.117 176.338 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.808 0 N-CA-C 112.505 -0.238 . . . . 2.58 112.505 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 56.96 37.95 29.09 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 123.093 0.557 . . . . 1.37 110.717 -178.22 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.428 ' HA3' ' CB ' ' A' ' 14' ' ' ARG . . . 97.72 -28.14 15.71 Favored Glycine 0 N--CA 1.445 -0.716 0 CA-C-N 115.729 -0.669 . . . . 1.07 112.491 -179.234 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.472 ' HA ' ' HA ' ' A' ' 10' ' ' GLU . 42.6 t -93.98 113.49 25.49 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 120.98 0.419 . . . . 1.48 110.655 -178.511 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.455 ' HB2' ' ND2' ' A' ' 9' ' ' ASN . 56.9 m-80 -129.99 38.63 3.78 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.044 -0.526 . . . . 1.57 110.39 178.768 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.49 ' O ' ' HG3' ' A' ' 10' ' ' GLU . . . 147.36 171.72 16.78 Favored Glycine 0 N--CA 1.447 -0.615 0 CA-C-N 115.871 -0.604 . . . . 1.13 112.34 176.687 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.413 ' HD3' ' CE2' ' A' ' 35' ' ' PHE . 72.0 Cg_endo -76.47 -17.01 16.74 Favored 'Trans proline' 0 C--N 1.335 -0.164 0 C-N-CA 123.37 2.713 . . . . 1.42 111.816 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 4.5 p-90 -116.78 6.69 13.24 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.293 -0.867 . . . . 4.95 109.847 177.602 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.455 ' ND2' ' HB2' ' A' ' 5' ' ' ASN . 56.8 t30 -139.33 45.92 1.94 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 122.059 0.933 . . . . 1.6 108.734 -177.784 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.49 ' HG3' ' O ' ' A' ' 6' ' ' GLY . 0.0 OUTLIER -103.9 94.59 5.5 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-N 114.758 -1.11 . . . . 1.62 110.771 -178.597 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.447 ' HB3' ' HD2' ' A' ' 14' ' ' ARG . 1.0 OUTLIER -69.69 97.66 1.09 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.047 -0.524 . . . . 1.78 111.105 178.33 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -57.73 -40.08 78.8 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.418 -0.81 . . . . 2.4 110.835 179.38 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.43 HD13 ' ND2' ' A' ' 17' ' ' ASN . 0.1 OUTLIER -67.41 -47.13 71.15 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 116.12 -0.491 . . . . 1.58 110.8 -175.132 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.447 ' HD2' ' HB3' ' A' ' 11' ' ' ASP . 0.0 OUTLIER -56.12 -43.36 78.09 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.608 -0.269 . . . . 4.81 110.96 177.351 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 40.9 t -66.45 -40.65 89.54 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.921 -0.4 . . . . 1.47 109.921 178.175 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 65.0 t60 -55.82 -51.83 66.12 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 116.05 -0.523 . . . . 1.04 110.585 173.59 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.43 ' ND2' HD13 ' A' ' 13' ' ' LEU . 93.9 m-20 -62.08 -38.53 89.19 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.786 -0.643 . . . . 0.64 111.14 -178.218 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 57.5 t60 -64.15 -50.46 68.1 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.288 -0.415 . . . . 1.52 111.082 177.381 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 69.2 m -73.32 -27.41 61.51 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 112.797 0.665 . . . . 0.56 112.797 -173.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.1 pttp -76.18 -11.05 59.86 Favored 'General case' 0 N--CA 1.464 0.238 0 C-N-CA 120.065 -0.654 . . . . 2.52 110.141 177.7 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 53.4 m -84.96 -15.48 44.21 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.994 -0.548 . . . . 2.12 109.835 174.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 48.9 mt -91.41 127.12 43.96 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.379 0 CA-C-N 115.743 -0.662 . . . . 1.26 109.345 177.028 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 21.6 ttmm -65.01 131.33 46.29 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.344 0.593 . . . . 3.07 111.103 -177.538 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 105.38 -18.2 42.17 Favored Glycine 0 N--CA 1.448 -0.557 0 CA-C-N 115.142 -0.936 . . . . 0.79 112.317 -178.546 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -117.54 160.24 21.56 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.629 0.252 . . . . 1.3 110.416 179.713 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.28 4.15 8.48 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.015 0.436 . . . . 2.9 110.929 178.634 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 164.35 -174.7 40.43 Favored Glycine 0 N--CA 1.445 -0.721 0 C-N-CA 120.638 -0.791 . . . . 0.76 111.616 -179.613 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -165.56 172.46 41.08 Favored Glycine 0 N--CA 1.445 -0.739 0 C-N-CA 120.635 -0.793 . . . . 0.63 112.759 -175.5 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 11.6 p90 -147.65 151.68 36.59 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.14 -0.689 . . . . 1.57 109.14 -177.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 4.8 t -80.91 123.26 28.15 Favored 'General case' 0 C--N 1.32 -0.708 0 C-N-CA 120.294 -0.562 . . . . 1.1 109.802 179.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -133.66 -161.37 1.14 Allowed 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.605 -0.725 . . . . 1.49 110.191 -176.373 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.5 mptp? 55.2 59.12 4.16 Favored 'General case' 0 N--CA 1.465 0.292 0 O-C-N 123.424 0.453 . . . . 2.74 110.405 -179.206 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 90.01 -15.05 60.38 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.877 -0.678 . . . . 1.37 111.777 -177.031 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 95.75 38.77 4.57 Favored Glycine 0 N--CA 1.445 -0.724 0 C-N-CA 121.139 -0.553 . . . . 0.96 111.794 -178.603 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.413 ' CE2' ' HD3' ' A' ' 7' ' ' PRO . 93.3 m-85 -137.2 -11.26 1.68 Allowed 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 111.871 0.323 . . . . 1.15 111.871 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 59.9 t -111.5 115.47 49.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 C-N-CA 121.174 -0.21 . . . . 1.3 111.169 -177.145 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 37.6 t -64.89 106.5 1.24 Allowed 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.629 -0.508 . . . . 1.48 109.629 174.298 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.583 ' HD3' ' O ' ' A' ' 39' ' ' CYS . 14.1 tmtt? -113.42 131.95 55.82 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.37 0.605 . . . . 2.02 110.4 -175.187 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.583 ' O ' ' HD3' ' A' ' 38' ' ' LYS . 27.4 m -88.66 152.07 22.05 Favored 'General case' 0 C--N 1.309 -1.181 0 CA-C-N 115.137 -0.938 . . . . 0.59 110.038 -175.682 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 44.9 m-85 . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.483 -0.77 . . . . 1.72 111.859 -176.132 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.902 0 N-CA-C 112.373 -0.291 . . . . 2.58 112.373 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -76.89 -6.68 53.44 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 120.89 0.376 . . . . 1.37 111.827 -177.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -162.92 -56.76 0.02 OUTLIER Glycine 0 N--CA 1.446 -0.662 0 N-CA-C 111.11 -0.796 . . . . 1.07 111.11 -179.679 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 36.7 m -70.17 124.18 23.48 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.325 -0.62 . . . . 1.48 109.325 173.587 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.448 HD21 ' N ' ' A' ' 5' ' ' ASN . 0.9 OUTLIER -102.64 2.37 35.87 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.976 0.417 . . . . 1.57 109.992 -179.588 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 128.76 -179.73 16.45 Favored Glycine 0 N--CA 1.446 -0.698 0 N-CA-C 111.209 -0.757 . . . . 1.13 111.209 -177.176 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 14.8 Cg_endo -56.5 -26.54 64.17 Favored 'Trans proline' 0 N--CA 1.475 0.386 0 C-N-CA 123.357 2.705 . . . . 1.42 113.022 -177.225 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 3.7 p-90 -74.87 -17.31 60.61 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.818 -0.628 . . . . 4.95 111.379 179.211 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -161.81 79.03 0.55 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.214 0.531 . . . . 1.6 109.942 -176.501 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.583 ' HB3' ' SG ' ' A' ' 30' ' ' CYS . 34.1 mt-10 -96.68 72.2 2.64 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.077 -0.51 . . . . 1.62 110.243 -176.457 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -71.98 102.42 2.94 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.978 -0.555 . . . . 1.78 110.783 -179.484 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -69.18 -31.21 69.68 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.305 -0.862 . . . . 2.4 111.03 -176.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.419 HD13 HD22 ' A' ' 17' ' ' ASN . 0.2 OUTLIER -63.28 -58.47 7.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.264 -0.426 . . . . 1.58 111.654 -172.07 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.36 -41.92 73.2 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.554 0.576 . . . . 4.81 112.554 -178.302 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.408 ' HB3' ' HB3' ' A' ' 37' ' ' CYS . 89.8 m -65.29 -43.03 92.44 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-O 121.109 0.48 . . . . 1.47 110.213 175.127 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.515 ' O ' ' HG3' ' A' ' 20' ' ' LYS . 57.9 t60 -57.77 -39.7 78.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.365 -0.834 . . . . 1.04 110.394 177.458 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.419 HD22 HD13 ' A' ' 13' ' ' LEU . 95.1 m-20 -66.6 -51.06 60.54 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.171 -0.468 . . . . 0.64 111.477 178.565 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 85.8 t60 -56.94 -42.8 80.7 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.06 -0.518 . . . . 1.52 111.154 -176.539 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.406 ' O ' ' HB2' ' A' ' 25' ' ' TYR . 75.8 m -69.94 -30.26 67.59 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.185 -0.461 . . . . 0.56 111.427 -178.133 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.515 ' HG3' ' O ' ' A' ' 16' ' ' HIS . 48.3 mtmt -73.41 -31.17 63.72 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.015 0.436 . . . . 2.52 110.27 175.76 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 37.4 t -63.94 -25.51 68.18 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.754 -0.657 . . . . 2.12 110.097 176.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 62.1 mt -93.03 127.75 44.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.988 -0.551 . . . . 1.26 109.874 178.103 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 24.2 ttpp -61.61 132.41 53.22 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.219 -0.446 . . . . 3.07 110.308 178.652 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 112.21 -39.91 2.71 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 121.036 -0.602 . . . . 0.79 112.809 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.406 ' HB2' ' O ' ' A' ' 19' ' ' CYS . 47.0 m-85 -100.93 158.32 16.08 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.757 0.313 . . . . 1.3 110.683 -176.259 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.72 6.06 5.11 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.395 -0.366 . . . . 2.9 111.463 -178.626 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 175.48 173.51 41.28 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.654 -0.784 . . . . 0.76 112.037 177.19 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -158.03 126.65 1.75 Allowed Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.877 -0.678 . . . . 0.63 112.037 -178.699 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.82 ' HH ' ' HZ1' ' A' ' 38' ' ' LYS . 48.1 p90 -105.33 168.36 9.13 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 110.176 -0.305 . . . . 1.57 110.176 -178.836 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.583 ' SG ' ' HB3' ' A' ' 10' ' ' GLU . 1.2 m -83.72 98.6 9.76 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.145 0.497 . . . . 1.1 110.532 -177.061 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -103.53 -177.13 3.28 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.869 -0.605 . . . . 1.49 110.332 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.2 mptp? 56.09 45.24 23.91 Favored 'General case' 0 C--N 1.332 -0.184 0 O-C-N 123.417 0.448 . . . . 2.74 110.836 178.496 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 97.02 -4.39 62.84 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.8 -0.714 . . . . 1.37 112.022 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.83 19.21 22.8 Favored Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 120.772 -0.728 . . . . 0.96 111.999 -179.134 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -108.91 -39.75 5.23 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.843 0.354 . . . . 1.15 111.47 -176.546 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 93.2 t -92.86 124.7 45.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.141 -0.481 . . . . 1.3 111.22 -173.055 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.408 ' HB3' ' HB3' ' A' ' 15' ' ' CYS . 35.9 m -70.59 91.42 0.79 Allowed 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 116.028 -0.533 . . . . 1.48 110.179 176.02 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.82 ' HZ1' ' HH ' ' A' ' 29' ' ' TYR . 0.1 OUTLIER -85.02 119.32 25.29 Favored 'General case' 0 CA--C 1.509 -0.634 0 CA-C-O 121.66 0.743 . . . . 2.02 109.523 179.886 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 69.0 m -84.22 150.03 25.74 Favored 'General case' 0 C--N 1.3 -1.557 0 CA-C-N 114.178 -1.374 . . . . 0.59 111.222 -172.644 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 18.6 p90 . . . . . 0 C--O 1.248 1.0 0 CA-C-N 115.637 -0.71 . . . . 1.72 109.794 178.657 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.843 0 N-CA-C 112.061 -0.415 . . . . 2.58 112.061 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -77.16 -9.74 58.96 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.32 0.581 . . . . 1.37 110.859 -178.019 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -172.81 -53.94 0.05 OUTLIER Glycine 0 N--CA 1.442 -0.963 0 N-CA-C 110.714 -0.954 . . . . 1.07 110.714 179.022 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 31.7 m -79.6 132.85 36.37 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.628 -0.508 . . . . 1.48 109.628 174.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 44.7 m-80 -135.34 45.09 2.51 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.096 0.474 . . . . 1.57 110.182 -178.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 122.84 164.78 12.21 Favored Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.776 -0.726 . . . . 1.13 112.084 177.768 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_endo -64.44 -22.53 65.6 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.969 2.446 . . . . 1.42 112.72 -176.242 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 10.7 p-90 -86.9 -9.36 55.89 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.798 -0.637 . . . . 4.95 110.954 -179.421 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 28.7 t30 -156.11 81.85 1.0 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.117 -0.492 . . . . 1.6 110.043 -176.087 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.677 ' HB3' ' SG ' ' A' ' 30' ' ' CYS . 39.3 mt-10 -103.56 -78.93 0.55 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.2 -0.455 . . . . 1.62 110.645 -179.771 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.532 ' OD2' ' HG2' ' A' ' 14' ' ' ARG . 16.6 t70 65.46 98.49 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.616 0.722 . . . . 1.78 110.631 -173.746 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -63.1 -25.84 68.55 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.009 -0.996 . . . . 2.4 111.255 -177.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.511 HD11 ' ND2' ' A' ' 17' ' ' ASN . 0.0 OUTLIER -63.6 -45.9 88.25 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 116.382 -0.372 . . . . 1.58 110.667 -174.455 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.532 ' HG2' ' OD2' ' A' ' 11' ' ' ASP . 11.7 mmm180 -53.35 -60.03 3.82 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 121.173 0.511 . . . . 4.81 111.317 179.772 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 88.9 m -66.37 -30.54 70.94 Favored 'General case' 0 N--CA 1.442 -0.834 0 CA-C-N 115.92 -0.582 . . . . 1.47 111.581 -177.376 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.452 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 59.0 t60 -61.43 -52.34 64.99 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 110.016 -0.364 . . . . 1.04 110.016 171.159 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.511 ' ND2' HD11 ' A' ' 13' ' ' LEU . 50.1 m-20 -57.19 -35.36 69.51 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-N 115.891 -0.595 . . . . 0.64 110.893 179.522 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 7.2 t-160 -60.21 -68.76 0.26 Allowed 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.742 -0.663 . . . . 1.52 110.688 173.378 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.434 ' SG ' ' HA3' ' A' ' 28' ' ' GLY . 61.8 m -61.24 -35.82 78.29 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.198 -0.91 . . . . 0.56 113.28 -171.726 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.452 ' HG2' ' O ' ' A' ' 16' ' ' HIS . 21.8 ptmt -65.64 -20.25 66.23 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 120.848 0.356 . . . . 2.52 111.18 -177.785 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 17.3 m -82.28 -11.62 58.53 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.15 0.5 . . . . 2.12 110.454 -179.675 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 60.8 mt -92.98 127.34 45.14 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.528 0 N-CA-C 109.483 -0.562 . . . . 1.26 109.483 178.522 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 32.3 ttpt -57.85 127.34 31.59 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.129 -0.487 . . . . 3.07 110.184 179.046 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 106.55 -32.68 7.06 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.933 -0.651 . . . . 0.79 112.705 -178.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 47.1 m-85 -105.86 155.18 19.57 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.128 0.49 . . . . 1.3 110.991 -176.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -127.61 -20.6 3.93 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.826 -0.624 . . . . 2.9 111.645 -178.439 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.428 ' HA3' ' CZ ' ' A' ' 40' ' ' TYR . . . -150.37 170.35 30.31 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 119.839 -1.172 . . . . 0.76 113.041 -178.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.518 ' HA2' ' O ' ' A' ' 38' ' ' LYS . . . -156.18 135.06 4.35 Favored Glycine 0 N--CA 1.448 -0.548 0 N-CA-C 111.154 -0.778 . . . . 0.63 111.154 178.76 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.572 ' O ' ' HA ' ' A' ' 37' ' ' CYS . 33.9 p90 -130.61 144.72 51.61 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 117.309 0.554 . . . . 1.57 111.763 -174.209 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.677 ' SG ' ' HB3' ' A' ' 10' ' ' GLU . 0.0 OUTLIER -74.17 102.7 4.35 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 115.552 -0.749 . . . . 1.1 109.922 178.369 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -99.7 -79.59 0.49 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.128 -0.487 . . . . 1.49 111.488 -174.678 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -61.7 98.76 0.1 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.999 -0.546 . . . . 2.74 111.605 -174.601 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 71.66 6.88 63.83 Favored Glycine 0 N--CA 1.451 -0.313 0 CA-C-N 115.772 -0.649 . . . . 1.37 112.908 177.183 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 76.78 8.52 86.46 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.665 -0.778 . . . . 0.96 111.777 -174.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -101.45 -46.96 4.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.075 0.464 . . . . 1.15 111.103 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 48.6 t -87.65 109.82 19.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.124 -0.489 . . . . 1.3 111.04 -174.69 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.572 ' HA ' ' O ' ' A' ' 29' ' ' TYR . 94.9 m -87.83 117.55 26.75 Favored 'General case' 0 N--CA 1.442 -0.86 0 CA-C-N 115.96 -0.564 . . . . 1.48 110.725 177.47 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.518 ' O ' ' HA2' ' A' ' 28' ' ' GLY . 24.9 ttpp -97.84 139.12 34.16 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.123 -0.49 . . . . 2.02 110.345 179.317 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 65.7 m -96.59 140.45 31.18 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.607 -0.724 . . . . 0.59 110.452 -175.467 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.428 ' CZ ' ' HA3' ' A' ' 27' ' ' GLY . 46.8 p90 . . . . . 0 C--O 1.251 1.172 0 CA-C-O 118.273 -0.87 . . . . 1.72 109.504 176.037 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.845 0 N-CA-C 112.166 -0.373 . . . . 2.58 112.166 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 -96.6 65.37 2.23 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.202 0.525 . . . . 1.37 110.392 -176.356 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 88.19 7.51 73.22 Favored Glycine 0 N--CA 1.447 -0.622 0 N-CA-C 111.18 -0.768 . . . . 1.07 111.18 -175.371 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.463 ' SG ' ' HB2' ' A' ' 37' ' ' CYS . 8.7 m -133.05 88.13 2.47 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.825 -0.435 . . . . 1.48 109.825 -178.039 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 -124.82 22.11 8.19 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.245 -0.434 . . . . 1.57 110.469 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 126.14 168.99 12.74 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.503 -0.856 . . . . 1.13 112.861 178.234 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_exo -43.98 -38.97 10.75 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 124.046 3.164 . . . . 1.42 113.407 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -89.07 3.1 52.9 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.555 -0.748 . . . . 4.95 111.91 -174.332 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -131.18 -29.73 1.8 Allowed 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 111.763 0.282 . . . . 1.6 111.763 -177.339 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -49.14 126.7 13.17 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-O 121.243 0.544 . . . . 1.62 111.893 -177.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.448 ' OD2' ' HG2' ' A' ' 14' ' ' ARG . 25.0 t70 -138.34 124.53 20.33 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.348 -0.842 . . . . 1.78 109.792 178.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -66.25 -31.33 72.08 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.496 -0.774 . . . . 2.4 111.089 -175.655 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -76.39 -44.26 36.99 Favored 'General case' 0 N--CA 1.445 -0.706 0 CA-C-N 116.121 -0.491 . . . . 1.58 110.701 -177.071 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.448 ' HG2' ' OD2' ' A' ' 11' ' ' ASP . 24.9 mmm180 -54.96 -55.51 29.91 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 116.63 -0.259 . . . . 4.81 111.57 -179.848 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 46.6 t -60.14 -40.28 89.27 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.132 -0.485 . . . . 1.47 110.245 178.315 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.5 t60 -56.49 -49.2 75.36 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.208 -0.451 . . . . 1.04 110.538 174.584 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -58.3 -46.43 86.13 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.852 -0.613 . . . . 0.64 111.197 -179.566 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -62.2 -50.52 71.46 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.242 -0.435 . . . . 1.52 110.984 -179.696 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 93.3 m -71.04 -36.19 72.26 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 112.591 0.589 . . . . 0.56 112.591 -173.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.8 pttp -71.01 -15.28 62.55 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.876 0.369 . . . . 2.52 110.741 -178.493 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 23.5 m -86.81 -5.73 59.02 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.025 -0.534 . . . . 2.12 110.478 178.255 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 55.4 mt -101.24 124.56 55.01 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.481 0 CA-C-N 115.866 -0.606 . . . . 1.26 109.789 178.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 67.3 tttt -59.51 132.83 55.17 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 116.39 -0.368 . . . . 3.07 110.021 177.064 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 102.82 -16.93 54.01 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.726 -0.75 . . . . 0.79 111.978 -176.614 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -125.11 151.78 45.26 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.876 0.37 . . . . 1.3 110.376 179.694 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.41 ' HG2' ' CE2' ' A' ' 40' ' ' TYR . 0.0 OUTLIER -120.06 -17.32 8.42 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.166 -0.47 . . . . 2.9 111.259 -179.705 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -161.88 178.24 37.81 Favored Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 120.37 -0.919 . . . . 0.76 112.766 -179.27 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -161.64 158.38 30.21 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 121.032 -0.604 . . . . 0.63 112.339 -178.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.643 ' HH ' ' HZ2' ' A' ' 38' ' ' LYS . 14.3 p90 -150.32 151.97 33.74 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.574 0.226 . . . . 1.57 110.559 -179.021 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 13.8 m -82.85 101.2 10.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.027 0.441 . . . . 1.1 110.453 -178.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -96.38 -175.31 3.3 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.843 -0.617 . . . . 1.49 110.037 178.513 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp 57.46 50.84 10.58 Favored 'General case' 0 C--N 1.331 -0.2 0 O-C-N 123.504 0.502 . . . . 2.74 111.097 178.058 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 84.48 13.06 74.19 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 121.005 -0.617 . . . . 1.37 112.3 178.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 80.55 29.84 42.47 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.825 -0.702 . . . . 0.96 112.318 -178.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -115.34 -33.65 5.22 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 111.818 0.303 . . . . 1.15 111.818 -177.582 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 97.3 t -101.27 111.24 30.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 120.93 0.395 . . . . 1.3 111.205 -175.378 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.463 ' HB2' ' SG ' ' A' ' 4' ' ' CYS . 39.0 t -72.51 99.69 2.56 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.841 -0.618 . . . . 1.48 109.573 175.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.643 ' HZ2' ' HH ' ' A' ' 29' ' ' TYR . 21.1 ttpp -102.84 145.41 29.83 Favored 'General case' 0 CA--C 1.509 -0.62 0 N-CA-C 109.896 -0.409 . . . . 2.02 109.896 179.37 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 34.6 m -105.77 167.77 9.55 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 115.599 -0.728 . . . . 0.59 110.511 -175.561 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.41 ' CE2' ' HG2' ' A' ' 26' ' ' LYS . 38.7 p90 . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.58 -0.724 . . . . 1.72 109.244 172.469 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.758 0 N-CA-C 112.13 -0.388 . . . . 2.58 112.13 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -79.4 -3.11 44.87 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.136 0.493 . . . . 1.37 111.249 -177.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -162.43 -43.49 0.02 OUTLIER Glycine 0 N--CA 1.446 -0.641 0 N-CA-C 110.639 -0.984 . . . . 1.07 110.639 179.333 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 22.0 m -77.68 129.98 36.24 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 110.198 -0.297 . . . . 1.48 110.198 175.035 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 58.2 m-80 -141.02 54.77 1.56 Allowed 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.325 0.583 . . . . 1.57 109.925 178.224 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 109.83 160.49 18.45 Favored Glycine 0 N--CA 1.445 -0.742 0 C-N-CA 120.868 -0.682 . . . . 1.13 111.823 179.075 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_exo -50.9 -38.08 57.25 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 123.245 2.63 . . . . 1.42 112.184 -178.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -63.63 -26.54 68.72 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 114.761 -1.108 . . . . 4.95 111.362 -177.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 40.0 t30 -142.44 80.69 1.71 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.207 0.527 . . . . 1.6 110.281 -173.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.497 ' HB3' ' SG ' ' A' ' 30' ' ' CYS . 44.8 mt-10 -114.32 94.55 4.85 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.101 -0.5 . . . . 1.62 110.832 -178.262 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.654 ' OD2' ' HD2' ' A' ' 14' ' ' ARG . 12.7 t70 -105.25 95.72 6.03 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.753 -0.462 . . . . 1.78 109.753 174.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -68.66 -23.72 64.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.9 -0.591 . . . . 2.4 110.591 -178.161 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.447 HD13 ' ND2' ' A' ' 17' ' ' ASN . 0.0 OUTLIER -63.48 -50.85 68.03 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 116.325 -0.398 . . . . 1.58 110.654 -173.56 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.654 ' HD2' ' OD2' ' A' ' 11' ' ' ASP . 0.0 OUTLIER -51.59 -51.2 57.47 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.711 0.291 . . . . 4.81 111.557 176.397 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.428 ' HB3' ' HB3' ' A' ' 37' ' ' CYS . 75.9 m -68.17 -34.91 77.19 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 116.489 -0.323 . . . . 1.47 111.176 -178.087 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 45.8 t60 -59.74 -51.46 69.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 1.04 109.938 172.006 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.447 ' ND2' HD13 ' A' ' 13' ' ' LEU . 93.8 m-20 -60.13 -46.43 89.66 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.59 -0.732 . . . . 0.64 111.008 -179.189 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 77.8 t60 -59.75 -49.62 77.01 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.783 -0.644 . . . . 1.52 111.21 -179.535 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.461 ' O ' ' HB2' ' A' ' 25' ' ' TYR . 40.3 m -77.44 -26.42 51.52 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 112.67 0.619 . . . . 0.56 112.67 -174.532 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.4 pttp -75.76 -10.67 59.62 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.256 -0.577 . . . . 2.52 110.07 177.463 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 20.6 m -93.67 -9.69 37.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.946 -0.57 . . . . 2.12 110.466 176.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 73.8 mt -102.4 125.93 56.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.032 -0.531 . . . . 1.26 109.901 -179.506 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 33.4 ttpt -58.31 126.51 27.83 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.436 -0.347 . . . . 3.07 110.168 178.35 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 113.49 -23.99 12.88 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.947 -0.644 . . . . 0.79 112.419 -177.444 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.461 ' HB2' ' O ' ' A' ' 19' ' ' CYS . 39.7 m-85 -122.7 158.52 29.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.91 0.355 . . . . 1.3 110.244 178.827 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -133.91 1.84 3.33 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 121.014 -0.274 . . . . 2.9 111.571 173.671 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -176.77 172.73 45.69 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.287 -0.958 . . . . 0.76 112.593 178.095 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -160.31 158.81 30.22 Favored Glycine 0 N--CA 1.451 -0.337 0 N-CA-C 111.914 -0.475 . . . . 0.63 111.914 179.67 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.463 ' O ' ' HA ' ' A' ' 37' ' ' CYS . 45.3 p90 -148.42 155.33 41.08 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 110.19 -0.3 . . . . 1.57 110.19 -179.005 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.497 ' SG ' ' HB3' ' A' ' 10' ' ' GLU . 0.0 OUTLIER -73.03 100.75 3.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.057 0.456 . . . . 1.1 110.984 -177.92 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -111.71 -174.03 2.38 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.099 -0.5 . . . . 1.49 110.029 179.564 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt 52.54 54.97 9.75 Favored 'General case' 0 C--N 1.33 -0.265 0 O-C-N 123.573 0.546 . . . . 2.74 111.244 178.059 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 91.72 -2.37 76.68 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.778 -0.725 . . . . 1.37 112.482 179.282 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 93.91 19.25 34.59 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.82 -0.705 . . . . 0.96 111.967 -179.087 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -111.43 -56.64 2.35 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.838 0.351 . . . . 1.15 111.075 -178.083 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 63.9 t -79.57 114.95 21.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.101 -0.5 . . . . 1.3 110.559 -175.237 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.463 ' HA ' ' O ' ' A' ' 29' ' ' TYR . 93.2 m -75.93 94.49 3.38 Favored 'General case' 0 N--CA 1.439 -1.006 0 CA-C-O 120.976 0.417 . . . . 1.48 110.284 178.208 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 6.5 tmtt? -75.87 129.23 36.65 Favored 'General case' 0 CA--C 1.508 -0.652 0 N-CA-C 108.8 -0.815 . . . . 2.02 108.8 179.346 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 74.5 m -113.97 143.73 44.25 Favored 'General case' 0 C--N 1.304 -1.377 0 CA-C-N 115.139 -0.937 . . . . 0.59 111.484 -173.06 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 23.8 p90 . . . . . 0 C--O 1.25 1.105 0 CA-C-N 115.25 -0.886 . . . . 1.72 110.304 -176.511 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.473 ' HA3' ' O ' ' A' ' 4' ' ' CYS . . . . . . . . 0 N--CA 1.482 1.751 0 N-CA-C 111.876 -0.49 . . . . 2.58 111.876 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -110.83 71.1 0.73 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.052 0.454 . . . . 1.37 110.119 -179.334 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.412 ' HA3' ' CB ' ' A' ' 14' ' ' ARG . . . 100.48 -51.32 1.01 Allowed Glycine 0 N--CA 1.447 -0.631 0 N-CA-C 110.398 -1.081 . . . . 1.07 110.398 -174.562 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.745 ' SG ' ' HA ' ' A' ' 10' ' ' GLU . 8.6 t -87.1 129.65 34.83 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.235 -0.654 . . . . 1.48 109.235 171.481 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 51.1 m-80 -134.97 33.33 3.16 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.445 -0.343 . . . . 1.57 111.176 -175.662 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.448 ' HA2' ' O ' ' A' ' 34' ' ' GLY . . . 117.99 171.76 15.49 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.654 -0.784 . . . . 1.13 112.47 178.277 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 8.3 Cg_endo -49.71 -30.03 21.43 Favored 'Trans proline' 0 N--CA 1.474 0.364 0 C-N-CA 124.318 3.346 . . . . 1.42 113.854 -176.158 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 12.5 p-90 -72.61 -20.04 61.35 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.315 -0.402 . . . . 4.95 111.217 -178.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 51.7 t30 -158.48 64.38 0.43 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.166 0.508 . . . . 1.6 110.11 -172.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.745 ' HA ' ' SG ' ' A' ' 4' ' ' CYS . 42.7 mt-10 -89.55 77.43 7.23 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.208 -0.451 . . . . 1.62 110.248 179.074 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.472 ' OD2' ' HG2' ' A' ' 14' ' ' ARG . 11.3 t70 -74.45 97.56 3.11 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.385 -0.598 . . . . 1.78 109.385 175.615 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -68.52 -31.48 70.75 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.674 -0.694 . . . . 2.4 110.409 -175.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -61.13 -54.32 46.0 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.693 -0.685 . . . . 1.58 111.065 -176.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.472 ' HG2' ' OD2' ' A' ' 11' ' ' ASP . 15.6 mmm-85 -54.95 -56.02 24.26 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.104 -0.498 . . . . 4.81 111.523 -179.125 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.668 ' SG ' ' HB3' ' A' ' 4' ' ' CYS . 83.8 m -62.06 -33.45 74.42 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.443 -0.344 . . . . 1.47 111.554 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.422 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 33.0 t60 -59.11 -50.45 74.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.267 -0.424 . . . . 1.04 109.978 171.822 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 -66.92 -29.92 69.92 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.661 -0.699 . . . . 0.64 111.274 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 67.6 t60 -61.64 -42.71 99.27 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.014 0.435 . . . . 1.52 110.204 175.378 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 94.5 m -76.98 -13.63 59.94 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.139 -0.482 . . . . 0.56 110.839 178.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.422 ' HG2' ' O ' ' A' ' 16' ' ' HIS . 32.6 mmmt -76.68 -25.07 53.26 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.053 0.454 . . . . 2.52 109.996 173.066 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 15.6 m -74.39 -19.74 60.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.889 -0.596 . . . . 2.12 109.966 175.546 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 26.5 mt -101.22 134.45 41.37 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.469 0 CA-C-N 115.751 -0.658 . . . . 1.26 109.737 179.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 35.6 ttmt -76.83 138.73 40.0 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 120.998 0.428 . . . . 3.07 111.131 -178.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 104.57 -19.89 40.87 Favored Glycine 0 N--CA 1.45 -0.38 0 CA-C-N 115.525 -0.761 . . . . 0.79 113.253 177.44 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 50.1 m-85 -113.83 143.62 44.36 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.909 0.355 . . . . 1.3 110.985 -175.709 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.464 ' HB2' ' CE2' ' A' ' 40' ' ' TYR . 50.4 mmtt -92.53 -27.74 17.21 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.106 -0.497 . . . . 2.9 110.378 -179.64 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -173.09 -170.96 37.33 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.695 -0.765 . . . . 0.76 112.061 -177.706 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -146.6 157.28 27.35 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 121.078 -0.582 . . . . 0.63 112.033 -176.634 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 3.2 p90 -136.88 144.95 43.81 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.722 0.296 . . . . 1.57 110.89 -176.289 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 7.8 m -73.73 94.7 2.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.928 -0.578 . . . . 1.1 110.55 -178.298 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -109.25 -171.08 1.77 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.642 -0.708 . . . . 1.49 110.242 -178.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 32.4 mmmt 51.68 64.46 1.84 Allowed 'General case' 0 C--O 1.234 0.253 0 O-C-N 123.611 0.57 . . . . 2.74 110.781 -179.54 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 86.72 -6.85 81.83 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.904 -0.665 . . . . 1.37 111.801 -178.709 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.448 ' O ' ' HA2' ' A' ' 6' ' ' GLY . . . 93.39 11.53 58.24 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 121.175 -0.536 . . . . 0.96 112.314 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -109.91 -24.1 11.0 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.011 0.374 . . . . 1.15 112.011 -176.675 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 54.2 t -100.66 106.6 19.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 121.091 0.472 . . . . 1.3 110.826 -176.026 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.729 ' SG ' ' HB3' ' A' ' 4' ' ' CYS . 68.8 m -72.97 95.07 1.94 Allowed 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 115.651 -0.704 . . . . 1.48 110.893 178.379 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 24.3 ttpp -93.13 146.42 23.67 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.968 -0.56 . . . . 2.02 110.233 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 75.9 m -81.5 166.5 20.25 Favored 'General case' 0 C--N 1.311 -1.09 0 N-CA-C 108.54 -0.911 . . . . 0.59 108.54 176.085 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.464 ' CE2' ' HB2' ' A' ' 26' ' ' LYS . 10.3 m-30 . . . . . 0 C--O 1.247 0.939 0 CA-C-O 118.12 -0.943 . . . . 1.72 112.001 -177.57 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.852 0 N-CA-C 112.155 -0.378 . . . . 2.58 112.155 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 50.2 m-85 -116.05 53.32 0.87 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.959 0.409 . . . . 1.37 110.151 -179.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 83.66 -47.21 3.79 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 121.082 -0.58 . . . . 1.07 111.761 -179.245 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 53.7 t -71.4 94.82 1.28 Allowed 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.978 0.418 . . . . 1.48 110.097 178.071 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -108.29 4.45 24.61 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.317 -0.401 . . . . 1.57 111.295 -176.237 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 133.2 175.08 13.8 Favored Glycine 0 N--CA 1.445 -0.714 0 C-N-CA 120.761 -0.733 . . . . 1.13 111.559 -178.213 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_endo -62.43 -23.82 75.23 Favored 'Trans proline' 0 N--CA 1.471 0.148 0 C-N-CA 122.993 2.462 . . . . 1.42 112.328 -179.072 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 6.0 p-90 -74.04 -20.43 60.3 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.67 -0.696 . . . . 4.95 110.658 177.511 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -149.47 67.86 1.02 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.798 -0.637 . . . . 1.6 109.42 -174.688 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -88.52 67.0 8.43 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.519 -0.764 . . . . 1.62 110.139 -178.421 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.523 ' OD2' ' HB2' ' A' ' 14' ' ' ARG . 26.4 t70 -63.84 115.27 4.67 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.326 0.584 . . . . 1.78 110.619 -178.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -74.18 -42.73 59.39 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.149 -0.932 . . . . 2.4 111.51 -175.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.463 HD11 HD22 ' A' ' 17' ' ' ASN . 0.1 OUTLIER -63.62 -54.03 42.21 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.223 -0.444 . . . . 1.58 111.524 -169.778 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.523 ' HB2' ' OD2' ' A' ' 11' ' ' ASP . 0.9 OUTLIER -60.65 -42.32 96.75 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 111.79 0.293 . . . . 4.81 111.79 -178.003 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 37.2 t -65.65 -39.79 91.77 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.38 0.609 . . . . 1.47 109.564 177.018 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.459 ' O ' ' HG3' ' A' ' 20' ' ' LYS . 84.5 t60 -59.88 -44.15 94.36 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.536 -0.756 . . . . 1.04 110.377 175.47 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.463 HD22 HD11 ' A' ' 13' ' ' LEU . 92.8 m-20 -66.05 -45.31 81.85 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.241 -0.436 . . . . 0.64 110.992 178.743 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 74.4 t60 -54.47 -37.76 65.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.787 -0.642 . . . . 1.52 111.031 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 85.6 m -85.04 -15.95 42.37 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.065 -0.516 . . . . 0.56 111.877 -178.135 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.459 ' HG3' ' O ' ' A' ' 16' ' ' HIS . 54.9 mtpt -73.74 -31.75 63.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.103 0.478 . . . . 2.52 110.11 175.026 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.8 p -81.32 8.19 9.74 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.745 -0.661 . . . . 2.12 111.123 177.446 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 42.7 mt -118.86 111.56 34.12 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.535 0 N-CA-C 108.833 -0.802 . . . . 1.26 108.833 173.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 23.6 ttmm -68.0 133.59 49.3 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-O 121.485 0.659 . . . . 3.07 110.95 -175.069 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 109.59 -11.44 32.91 Favored Glycine 0 N--CA 1.447 -0.621 0 CA-C-N 114.962 -1.017 . . . . 0.79 111.767 -175.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 50.1 m-85 -123.84 169.55 11.45 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 110.282 -0.266 . . . . 1.3 110.282 178.334 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.494 ' N ' ' HD3' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -143.04 31.19 1.4 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.252 0.548 . . . . 2.9 111.121 -179.208 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 136.66 177.5 15.06 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.615 -0.802 . . . . 0.76 111.589 178.518 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -158.18 175.41 35.37 Favored Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 120.313 -0.946 . . . . 0.63 113.142 -177.04 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 10.7 p90 -151.0 167.69 26.87 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.799 -0.445 . . . . 1.57 109.799 179.302 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.497 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 84.2 m -81.72 96.65 7.62 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.055 0.455 . . . . 1.1 110.81 179.811 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -83.58 -177.0 6.57 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.49 -0.777 . . . . 1.49 110.215 178.337 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 48.3 mmtm 58.53 -150.72 0.43 Allowed 'General case' 0 C--O 1.233 0.23 0 N-CA-C 109.431 -0.581 . . . . 2.74 109.431 -176.6 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -52.16 -24.69 16.11 Favored Glycine 0 CA--C 1.522 0.521 0 C-N-CA 121.219 -0.515 . . . . 1.37 112.871 174.3 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 128.62 19.8 1.62 Allowed Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.804 -0.712 . . . . 0.96 112.859 174.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 77.0 m-85 -116.35 11.44 15.0 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 117.075 0.438 . . . . 1.15 111.692 -177.575 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.497 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 63.8 t -117.75 116.1 50.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 C-N-CA 120.953 -0.299 . . . . 1.3 111.21 -176.403 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 48.2 t -75.79 86.11 2.78 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.505 -0.554 . . . . 1.48 109.505 176.559 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.37 128.48 44.22 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.834 -0.621 . . . . 2.02 110.111 -175.541 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 33.7 m -87.71 160.1 18.23 Favored 'General case' 0 C--N 1.307 -1.264 0 CA-C-N 114.654 -1.157 . . . . 0.59 110.592 -174.669 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 . . . . . 0 C--O 1.252 1.188 0 CA-C-O 117.985 -1.007 . . . . 1.72 110.479 179.488 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.927 0 N-CA-C 111.876 -0.49 . . . . 2.58 111.876 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.499 ' O ' ' HB3' ' A' ' 14' ' ' ARG . 33.6 m-85 54.6 52.51 12.12 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 122.958 0.503 . . . . 1.37 111.334 178.708 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 88.1 -37.53 3.26 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 121.009 -0.615 . . . . 1.07 112.179 -178.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.477 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 46.0 t -84.2 106.09 15.56 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.989 0.424 . . . . 1.48 110.71 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 42.7 m-80 -108.51 12.74 25.88 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.951 0.405 . . . . 1.57 110.412 178.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 119.01 174.41 15.9 Favored Glycine 0 N--CA 1.445 -0.743 0 C-N-CA 121.032 -0.604 . . . . 1.13 112.571 177.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 13.6 Cg_endo -56.8 -29.18 80.0 Favored 'Trans proline' 0 C--O 1.233 0.243 0 C-N-CA 123.324 2.683 . . . . 1.42 112.731 -175.064 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 8.0 p-90 -75.83 -22.5 56.21 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.764 -0.653 . . . . 4.95 110.949 -179.152 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -160.74 69.16 0.36 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.319 0.581 . . . . 1.6 110.474 -174.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.418 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 2.1 pt-20 -110.75 161.01 16.21 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.201 -0.454 . . . . 1.62 110.71 177.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -142.27 107.79 5.06 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.772 -0.649 . . . . 1.78 109.589 -179.023 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -66.96 -22.65 65.92 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.124 -0.489 . . . . 2.4 111.531 -175.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.456 HD11 ' ND2' ' A' ' 17' ' ' ASN . 0.1 OUTLIER -76.54 -47.55 22.29 Favored 'General case' 0 N--CA 1.442 -0.831 0 CA-C-N 116.34 -0.391 . . . . 1.58 110.429 -174.845 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.499 ' HB3' ' O ' ' A' ' 2' ' ' PHE . 0.0 OUTLIER -60.71 -40.36 91.99 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.677 -0.238 . . . . 4.81 110.954 178.898 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.477 ' SG ' ' HB2' ' A' ' 4' ' ' CYS . 74.1 m -58.88 -53.19 61.22 Favored 'General case' 0 N--CA 1.447 -0.606 0 N-CA-C 109.857 -0.423 . . . . 1.47 109.857 174.247 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.512 ' O ' ' HG3' ' A' ' 20' ' ' LYS . 27.6 t60 -54.27 -54.45 39.9 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.784 -0.643 . . . . 1.04 111.392 178.881 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.456 ' ND2' HD11 ' A' ' 13' ' ' LEU . 89.4 m-20 -55.95 -48.54 75.58 Favored 'General case' 0 C--N 1.327 -0.39 0 O-C-N 123.485 0.491 . . . . 0.64 111.184 -176.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 74.0 t60 -58.26 -48.01 81.8 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.371 -0.377 . . . . 1.52 110.866 178.224 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 88.0 m -64.66 -47.42 78.55 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.383 0.512 . . . . 0.56 112.383 -175.125 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.512 ' HG3' ' O ' ' A' ' 16' ' ' HIS . 0.0 OUTLIER -80.34 -1.3 40.5 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.241 -0.584 . . . . 2.52 111.694 -176.821 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 69.3 m -82.53 -14.83 54.26 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.087 -0.708 . . . . 2.12 109.087 170.041 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 37.5 mt -98.69 135.6 32.97 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.648 0 CA-C-N 115.162 -0.926 . . . . 1.26 108.767 177.02 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 34.8 ttmt -72.19 134.79 45.87 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-O 121.265 0.555 . . . . 3.07 110.662 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 101.45 4.18 53.0 Favored Glycine 0 N--CA 1.449 -0.464 0 CA-C-N 115.271 -0.877 . . . . 0.79 112.636 -178.47 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 -134.93 158.99 42.86 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.699 0.285 . . . . 1.3 110.38 178.551 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.53 -28.06 2.56 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.404 -0.362 . . . . 2.9 111.637 177.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -146.69 175.07 26.3 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 119.831 -1.175 . . . . 0.76 113.161 -177.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -155.44 144.59 11.16 Favored Glycine 0 N--CA 1.446 -0.684 0 C-N-CA 121.103 -0.57 . . . . 0.63 112.012 178.681 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 6.3 p90 -144.78 159.81 42.26 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 110.365 -0.235 . . . . 1.57 110.365 179.529 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 81.8 m -75.37 106.8 7.09 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.113 0.482 . . . . 1.1 111.167 -178.146 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -121.91 -172.18 2.39 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.426 -0.806 . . . . 1.49 109.66 177.306 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.0 mmmm 52.23 63.5 2.22 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-O 121.151 0.5 . . . . 2.74 110.781 -179.595 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 92.24 -16.54 59.51 Favored Glycine 0 N--CA 1.448 -0.56 0 N-CA-C 111.251 -0.739 . . . . 1.37 111.251 -176.074 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 87.79 27.22 27.25 Favored Glycine 0 N--CA 1.444 -0.799 0 C-N-CA 121.013 -0.613 . . . . 0.96 111.759 -178.537 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 79.4 m-85 -119.88 -18.12 8.31 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.928 0.394 . . . . 1.15 110.76 179.513 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 48.1 t -103.25 124.12 57.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.174 -0.466 . . . . 1.3 110.796 -175.128 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 80.1 m -71.08 88.97 0.8 Allowed 'General case' 0 N--CA 1.447 -0.581 0 N-CA-C 109.712 -0.477 . . . . 1.48 109.712 173.608 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.415 ' HD2' ' N ' ' A' ' 39' ' ' CYS . 3.5 tmmm? -83.76 131.81 34.88 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.15 -0.685 . . . . 2.02 109.15 -179.526 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.415 ' N ' ' HD2' ' A' ' 38' ' ' LYS . 56.7 m -100.29 141.56 32.97 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 115.0 -1.0 . . . . 0.59 111.37 -171.368 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 46.2 p90 . . . . . 0 C--O 1.251 1.169 0 CA-C-O 118.131 -0.938 . . . . 1.72 109.533 175.206 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.743 0 N-CA-C 112.226 -0.35 . . . . 2.58 112.226 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 71.6 m-85 -81.58 65.66 6.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.165 0.507 . . . . 1.37 110.12 -179.521 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 99.39 -34.89 5.08 Favored Glycine 0 C--N 1.318 -0.425 0 N-CA-C 111.215 -0.754 . . . . 1.07 111.215 -177.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 23.5 m -80.49 98.2 7.46 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.225 -0.488 . . . . 1.48 110.185 177.543 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 54.7 m-80 -140.36 41.72 1.91 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.79 0.329 . . . . 1.57 111.186 -176.136 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 158.53 165.62 16.12 Favored Glycine 0 N--CA 1.444 -0.829 0 C-N-CA 120.229 -0.986 . . . . 1.13 112.696 179.188 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -77.06 -26.8 7.4 Favored 'Trans proline' 0 N--CA 1.464 -0.234 0 C-N-CA 122.503 2.135 . . . . 1.42 110.293 172.739 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 25.5 p-90 -105.14 -14.4 15.4 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 114.712 -1.131 . . . . 4.95 110.208 175.476 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -108.48 55.95 0.63 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.372 0.606 . . . . 1.6 109.897 -175.149 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -100.01 118.2 35.89 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.51 -0.768 . . . . 1.62 110.708 -179.505 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -117.67 102.71 9.37 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.151 0.5 . . . . 1.78 109.742 172.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 36.4 m-20 -78.83 -13.22 59.93 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.673 -0.694 . . . . 2.4 110.823 -175.494 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.416 HD13 HD22 ' A' ' 17' ' ' ASN . 0.1 OUTLIER -71.48 -53.27 14.48 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 109.968 -0.382 . . . . 1.58 109.968 -177.543 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -58.27 -38.6 77.31 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.209 -0.45 . . . . 4.81 111.106 177.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.3 t -65.83 -44.22 86.24 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.135 0.493 . . . . 1.47 109.812 175.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.428 ' HA ' ' H ' ' A' ' 28' ' ' GLY . 54.5 t60 -54.33 -47.9 72.0 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.744 -0.662 . . . . 1.04 110.595 174.041 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.436 ' HA ' ' HG2' ' A' ' 20' ' ' LYS . 92.9 m-20 -62.49 -41.05 98.55 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.864 -0.607 . . . . 0.64 111.026 -179.045 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 67.7 t60 -61.53 -48.89 78.97 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.137 -0.483 . . . . 1.52 111.014 176.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 74.6 m -76.87 -29.52 55.86 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.569 0.581 . . . . 0.56 112.569 -174.582 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.436 ' HG2' ' HA ' ' A' ' 17' ' ' ASN . 61.2 pttt -73.6 -14.62 61.22 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 121.126 0.489 . . . . 2.52 110.032 178.678 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 47.4 t -73.91 -26.36 60.49 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.815 -0.629 . . . . 2.12 109.656 174.506 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 54.6 mt -90.28 117.61 33.91 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.461 0 CA-C-N 115.453 -0.794 . . . . 1.26 109.454 177.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.2 ttmm -69.12 128.42 36.58 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.278 -0.419 . . . . 3.07 110.573 -175.491 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 118.07 -17.03 11.83 Favored Glycine 0 N--CA 1.449 -0.451 0 CA-C-N 115.736 -0.665 . . . . 0.79 112.279 -177.679 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 87.3 m-85 -113.02 141.57 46.71 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 110.105 -0.332 . . . . 1.3 110.105 179.058 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.639 ' HB2' ' CE2' ' A' ' 40' ' ' TYR . 91.0 mttt -80.33 -22.8 41.11 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.326 0.584 . . . . 2.9 110.601 -178.502 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 166.75 -160.11 33.66 Favored Glycine 0 N--CA 1.439 -1.136 0 CA-C-N 115.418 -0.81 . . . . 0.76 111.601 -179.504 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.428 ' H ' ' HA ' ' A' ' 16' ' ' HIS . . . -153.96 161.01 29.74 Favored Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 120.964 -0.636 . . . . 0.63 111.763 -176.588 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.728 ' HH ' ' HZ1' ' A' ' 38' ' ' LYS . 0.8 OUTLIER -154.5 157.96 39.15 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 110.083 -0.34 . . . . 1.57 110.083 -177.825 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 34.1 m -76.74 102.47 6.24 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.102 -0.499 . . . . 1.1 110.257 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -115.88 -173.9 2.43 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.572 -0.74 . . . . 1.49 110.245 -179.019 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 41.7 tptt 57.18 48.15 15.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.422 0.629 . . . . 2.74 110.332 175.599 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 103.65 -12.44 53.81 Favored Glycine 0 N--CA 1.447 -0.629 0 CA-C-N 115.687 -0.688 . . . . 1.37 111.627 -177.4 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 93.62 13.33 55.58 Favored Glycine 0 N--CA 1.446 -0.671 0 C-N-CA 120.944 -0.646 . . . . 0.96 111.813 -178.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 53.9 m-85 -112.66 -27.77 8.06 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.997 0.427 . . . . 1.15 110.669 -177.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 57.9 t -91.68 110.03 22.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 116.018 -0.537 . . . . 1.3 110.778 -174.513 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 44.0 t -67.1 102.49 1.02 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.766 -0.652 . . . . 1.48 109.533 174.753 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.728 ' HZ1' ' HH ' ' A' ' 29' ' ' TYR . 34.4 ttpt -106.56 147.89 28.9 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.463 -0.335 . . . . 2.02 110.4 -176.859 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 33.9 m -110.25 141.29 43.43 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.802 -0.635 . . . . 0.59 109.75 -178.355 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.639 ' CE2' ' HB2' ' A' ' 26' ' ' LYS . 52.2 p90 . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.751 -0.643 . . . . 1.72 110.243 179.496 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 2' ' ' PHE . . . . . 0.41 ' O ' ' HB3' ' A' ' 14' ' ' ARG . 39.6 m-85 . . . . . 0 N--CA 1.467 0.378 0 CA-C-O 121.04 0.447 . . . . 1.06 111.296 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 82.52 -47.15 3.7 Favored Glycine 0 N--CA 1.45 -0.425 0 CA-C-N 115.913 -0.585 . . . . 0.93 111.896 -178.609 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 49.6 t -74.56 119.43 18.74 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 120.977 0.418 . . . . 1.42 110.397 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -110.77 9.8 22.65 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.5 -0.318 . . . . 1.57 110.772 -179.124 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLY . . . . . 0.438 ' HA2' ' O ' ' A' ' 34' ' ' GLY . . . 118.25 -175.69 15.82 Favored Glycine 0 N--CA 1.442 -0.9 0 C-N-CA 120.653 -0.784 . . . . 0.77 112.213 179.212 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -53.25 -31.11 54.5 Favored 'Trans proline' 0 CA--C 1.529 0.237 0 C-N-CA 123.728 2.952 . . . . 1.07 113.608 -175.601 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 8.8 p-90 -74.9 -24.0 58.46 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.857 0.36 . . . . 4.12 111.069 -179.334 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -151.88 71.02 0.96 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.435 -0.58 . . . . 1.6 109.435 -175.538 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -86.15 150.23 24.56 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.016 -0.735 . . . . 1.62 109.016 178.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.575 ' CG ' ' HD2' ' A' ' 14' ' ' ARG . 6.6 t0 -143.28 98.55 3.28 Favored 'General case' 0 C--N 1.319 -0.72 0 C-N-CA 120.537 -0.465 . . . . 1.78 110.588 -178.696 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -65.09 -30.14 71.06 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.669 -0.696 . . . . 2.4 110.778 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.572 HD12 ' NH2' ' A' ' 14' ' ' ARG . 2.4 tm? -75.36 -52.73 10.08 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.161 -0.472 . . . . 0.98 111.26 -173.175 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.575 ' HD2' ' CG ' ' A' ' 11' ' ' ASP . 0.0 OUTLIER -57.13 -45.53 83.43 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 120.899 -0.32 . . . . 4.04 111.112 178.463 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 74.6 m -58.83 -46.1 88.47 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-O 120.954 0.407 . . . . 1.47 110.16 176.032 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.3 t60 -54.01 -50.89 65.59 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-N 115.85 -0.614 . . . . 0.83 111.027 175.836 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.464 ' ND2' HD13 ' A' ' 13' ' ' LEU . 98.4 m-20 -62.17 -34.91 77.31 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.169 -0.469 . . . . 0.58 111.703 -177.548 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 65.9 t60 -68.86 -48.74 62.67 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.381 -0.372 . . . . 1.06 110.568 176.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 71.4 m -70.46 -34.99 73.05 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.212 -0.449 . . . . 0.56 112.156 -174.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 57.3 pttt -75.34 -8.49 56.81 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.692 -0.403 . . . . 2.1 110.532 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 17.5 t -84.78 -11.11 56.44 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.402 -0.592 . . . . 1.53 109.402 176.255 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 47.7 mt -105.2 114.54 45.02 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.492 0 CA-C-N 115.548 -0.751 . . . . 0.68 109.51 178.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 21.8 ttmm -56.12 131.71 48.36 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.07 0.462 . . . . 2.51 110.877 -178.466 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 114.44 -36.51 3.94 Favored Glycine 0 N--CA 1.447 -0.578 0 CA-C-N 115.546 -0.752 . . . . 0.79 112.031 -176.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 69.4 m-85 -100.92 163.83 12.12 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.634 0.254 . . . . 0.77 110.36 -179.269 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.98 -29.51 2.3 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.37 -0.377 . . . . 2.51 111.277 177.696 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.536 ' HA3' ' CZ ' ' A' ' 40' ' ' TYR . . . -137.73 169.28 24.19 Favored Glycine 0 N--CA 1.444 -0.78 0 C-N-CA 119.618 -1.277 . . . . 0.56 113.166 -176.695 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.614 ' HA2' ' O ' ' A' ' 38' ' ' LYS . . . -156.29 141.35 7.9 Favored Glycine 0 N--CA 1.446 -0.652 0 N-CA-C 111.277 -0.729 . . . . 0.63 111.277 179.437 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -151.81 158.08 42.81 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 117.005 0.402 . . . . 1.08 110.599 -177.205 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 10.1 m -69.62 97.95 1.1 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.101 -0.5 . . . . 1.1 110.331 -179.598 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -99.18 -81.86 0.45 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.221 -0.445 . . . . 1.49 111.448 -176.674 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -59.2 111.31 1.3 Allowed 'General case' 0 C--O 1.235 0.329 0 CA-C-O 120.969 0.414 . . . . 2.35 111.525 -176.639 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 70.34 -4.97 7.53 Favored Glycine 0 C--N 1.332 0.315 0 CA-C-N 115.349 -0.841 . . . . 1.17 112.74 179.221 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.438 ' O ' ' HA2' ' A' ' 6' ' ' GLY . . . 81.07 14.49 79.17 Favored Glycine 0 N--CA 1.444 -0.825 0 C-N-CA 120.696 -0.764 . . . . 0.87 111.418 -172.722 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -111.77 -44.74 3.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.892 0.377 . . . . 0.98 110.976 -179.675 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 60.7 t -78.73 122.19 33.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.908 -0.587 . . . . 0.73 111.677 -173.716 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 85.2 m -73.3 92.88 1.84 Allowed 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 116.116 -0.493 . . . . 1.48 109.942 173.363 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.614 ' O ' ' HA2' ' A' ' 28' ' ' GLY . 27.8 ttmt -73.71 136.83 43.76 Favored 'General case' 0 CA--C 1.51 -0.574 0 N-CA-C 109.24 -0.652 . . . . 1.56 109.24 176.908 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 62.5 m -103.6 133.54 48.45 Favored 'General case' 0 C--N 1.309 -1.159 0 CA-C-N 115.852 -0.613 . . . . 0.59 110.219 -177.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.536 ' CZ ' ' HA3' ' A' ' 27' ' ' GLY . 29.8 p90 . . . . . 0 C--O 1.25 1.113 0 CA-C-O 118.595 -0.717 . . . . 1.72 109.536 178.807 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 . . . . . 0 N--CA 1.454 -0.264 0 CA-C-O 121.295 0.569 . . . . 1.06 110.257 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' GLY . . . . . 0.484 ' HA2' ' CZ ' ' A' ' 14' ' ' ARG . . . 105.82 -13.63 45.8 Favored Glycine 0 N--CA 1.445 -0.716 0 CA-C-N 115.351 -0.84 . . . . 0.93 111.068 -176.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.48 ' HA ' ' HA ' ' A' ' 10' ' ' GLU . 55.8 m -102.9 107.58 18.46 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 114.961 -0.619 . . . . 1.42 110.083 179.375 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ASN . . . . . 0.421 ' HB2' ' HB3' ' A' ' 9' ' ' ASN . 37.8 m-80 -120.26 15.5 12.25 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 120.813 0.339 . . . . 1.57 110.57 -179.652 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 115.28 175.94 18.47 Favored Glycine 0 N--CA 1.443 -0.839 0 C-N-CA 120.615 -0.802 . . . . 0.77 112.237 179.191 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_endo -54.9 -26.88 50.82 Favored 'Trans proline' 0 N--CA 1.473 0.289 0 C-N-CA 123.616 2.877 . . . . 1.07 113.377 -175.24 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 9.8 p-90 -81.26 -22.35 38.76 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.091 -0.504 . . . . 4.12 111.159 -178.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.421 ' HB3' ' HB2' ' A' ' 5' ' ' ASN . 52.7 t-20 -155.06 64.27 0.64 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.224 0.535 . . . . 1.6 110.169 -172.214 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.48 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 7.1 pt-20 -120.15 94.87 4.53 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.373 0.606 . . . . 1.62 110.294 175.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -80.8 102.84 10.24 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.835 -0.62 . . . . 1.78 110.592 -179.428 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -55.93 -36.56 67.89 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.108 -0.951 . . . . 2.4 110.614 178.694 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.4 HD12 HD21 ' A' ' 17' ' ' ASN . 0.1 OUTLIER -65.91 -46.8 76.95 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 115.731 -0.668 . . . . 0.98 110.48 -178.679 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.484 ' CZ ' ' HA2' ' A' ' 3' ' ' GLY . 0.0 OUTLIER -55.48 -49.73 71.77 Favored 'General case' 0 N--CA 1.441 -0.897 0 C-N-CA 123.214 0.606 . . . . 4.04 111.19 179.136 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 48.6 t -60.82 -48.18 82.99 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.402 -0.817 . . . . 1.47 110.127 177.413 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.428 ' NE2' ' HD3' ' A' ' 20' ' ' LYS . 51.3 t60 -52.56 -48.94 65.84 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.008 -0.542 . . . . 0.83 110.913 175.241 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.4 HD21 HD12 ' A' ' 13' ' ' LEU . 93.0 m-20 -59.65 -42.23 92.33 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.014 -0.539 . . . . 0.58 111.214 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 78.4 t60 -62.62 -46.42 88.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 1.06 111.07 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 60.3 m -75.96 -36.87 59.12 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.265 -0.425 . . . . 0.56 112.08 -174.59 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.428 ' HD3' ' NE2' ' A' ' 16' ' ' HIS . 19.3 pttp -72.37 -18.24 61.76 Favored 'General case' 0 N--CA 1.463 0.194 0 C-N-CA 121.006 -0.278 . . . . 2.1 111.202 -176.255 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 12.9 p -92.37 6.36 47.22 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.156 0.503 . . . . 1.53 110.764 179.293 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 68.2 mt -112.41 122.22 66.24 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.497 0 CA-C-N 115.77 -0.65 . . . . 0.68 109.546 176.292 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 25.4 ttpp -60.08 132.33 53.6 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.896 0.379 . . . . 2.51 110.325 178.594 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 110.43 -21.72 23.53 Favored Glycine 0 N--CA 1.447 -0.63 0 CA-C-N 115.865 -0.607 . . . . 0.79 111.896 -176.031 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 69.3 m-85 -119.68 171.86 8.09 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.916 0.388 . . . . 0.77 110.257 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -138.54 -30.35 0.77 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.97 -0.559 . . . . 2.51 111.597 176.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -142.03 170.62 24.86 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 119.8 -1.191 . . . . 0.56 112.712 -177.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.42 ' HA2' ' O ' ' A' ' 38' ' ' LYS . . . -157.04 151.49 22.85 Favored Glycine 0 N--CA 1.445 -0.747 0 C-N-CA 120.785 -0.721 . . . . 0.63 112.108 179.721 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 13.4 p90 -156.95 155.27 31.04 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.839 0.352 . . . . 1.08 110.116 177.206 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.475 ' SG ' ' HB2' ' A' ' 10' ' ' GLU . 3.4 m -80.97 105.19 12.0 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.347 -0.612 . . . . 1.1 109.347 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.74 -84.85 0.22 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.854 -0.612 . . . . 1.49 111.761 -171.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 50.2 mmtm -62.59 106.79 0.83 Allowed 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 116.283 -0.417 . . . . 2.35 111.57 -175.439 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 71.07 -2.26 19.74 Favored Glycine 0 C--N 1.331 0.258 0 CA-C-N 115.406 -0.815 . . . . 1.17 113.371 176.478 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 81.24 7.63 88.19 Favored Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 120.703 -0.761 . . . . 0.87 111.654 -173.759 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -98.97 -38.64 8.91 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.17 0.51 . . . . 0.98 110.606 179.65 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 61.9 t -84.78 111.41 20.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.901 -0.591 . . . . 0.73 111.316 -174.796 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 38.1 t -75.31 105.28 6.25 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.503 -0.771 . . . . 1.48 109.415 174.325 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.42 ' O ' ' HA2' ' A' ' 28' ' ' GLY . 32.1 ttmt -92.24 141.36 28.65 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 110.072 -0.344 . . . . 1.56 110.072 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 73.7 m -115.1 134.64 54.99 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 116.121 -0.49 . . . . 0.59 110.003 179.311 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 41.0 p90 . . . . . 0 C--O 1.251 1.141 0 CA-C-O 118.198 -0.906 . . . . 1.72 109.624 177.459 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 . . . . . 0 N--CA 1.455 -0.189 0 CA-C-O 121.079 0.466 . . . . 1.06 110.576 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 89.5 -26.97 8.26 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 121.054 -0.593 . . . . 0.93 111.81 -177.835 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.505 ' SG ' ' HB2' ' A' ' 15' ' ' CYS . 84.7 m -89.07 92.39 9.19 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 120.948 0.404 . . . . 1.42 110.52 179.361 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -120.09 34.65 5.14 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.223 -0.444 . . . . 1.57 111.308 -177.426 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 109.65 170.13 20.26 Favored Glycine 0 C--O 1.219 -0.816 0 C-N-CA 120.811 -0.709 . . . . 0.77 113.281 173.123 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.568 ' HA ' ' OE1' ' A' ' 10' ' ' GLU . 9.5 Cg_endo -54.31 -26.61 44.23 Favored 'Trans proline' 0 N--CA 1.473 0.283 0 C-N-CA 123.652 2.901 . . . . 1.07 113.41 -175.415 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -96.55 -4.97 40.34 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.01 -0.541 . . . . 4.12 110.768 -177.673 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 15.1 t-20 -152.97 41.35 0.57 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.868 0.366 . . . . 1.6 110.435 -172.756 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.568 ' OE1' ' HA ' ' A' ' 7' ' ' PRO . 4.6 pt-20 -103.77 89.55 3.36 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.542 0.686 . . . . 1.62 110.875 179.479 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -80.37 91.28 5.66 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.318 -0.855 . . . . 1.78 110.318 178.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -56.4 -33.18 65.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.922 -0.581 . . . . 2.4 110.616 179.14 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -57.59 -52.01 67.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.951 -0.568 . . . . 0.98 110.606 179.322 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 62.6 mtp180 -60.38 -46.83 88.56 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.92 -0.582 . . . . 4.04 111.643 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.505 ' HB2' ' SG ' ' A' ' 4' ' ' CYS . 43.5 t -55.4 -48.87 73.69 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.062 0.458 . . . . 1.47 110.266 173.893 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 7.4 t-80 -52.03 -51.46 57.3 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.699 -0.682 . . . . 0.83 111.173 175.805 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -63.13 -36.28 83.07 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.181 -0.463 . . . . 0.58 111.317 -178.308 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.461 ' O ' HG13 ' A' ' 22' ' ' ILE . 82.4 t60 -63.52 -42.31 98.47 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.804 0.335 . . . . 1.06 110.239 177.014 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.413 ' SG ' ' HA3' ' A' ' 28' ' ' GLY . 83.1 m -72.54 -20.52 61.32 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.059 -0.518 . . . . 0.56 111.366 -179.214 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 30.1 mmmt -79.27 -27.97 42.32 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.125 0.488 . . . . 2.1 110.412 174.386 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 38.6 m -74.31 -14.6 60.92 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.725 -0.67 . . . . 1.53 110.242 175.471 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.461 HG13 ' O ' ' A' ' 18' ' ' HIS . 49.2 mt -101.8 120.39 51.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.162 -0.472 . . . . 0.68 109.848 178.154 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 35.2 ttpt -65.3 136.76 56.96 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.407 -0.36 . . . . 2.51 110.37 179.711 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 101.33 12.9 34.62 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.733 -0.746 . . . . 0.79 113.198 177.263 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 74.1 m-85 -137.29 158.55 44.18 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 110.129 -0.322 . . . . 0.77 110.129 177.495 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.94 -13.93 8.54 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 111.653 0.242 . . . . 2.51 111.653 179.776 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -163.84 173.93 39.95 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.028 -1.082 . . . . 0.56 112.724 179.021 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.413 ' HA3' ' SG ' ' A' ' 19' ' ' CYS . . . -154.99 152.2 23.76 Favored Glycine 0 N--CA 1.448 -0.541 0 N-CA-C 111.617 -0.593 . . . . 0.63 111.617 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.3 p90 -156.27 156.17 33.59 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.725 0.298 . . . . 1.08 110.212 -178.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.5 m -82.72 102.53 11.59 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.095 0.474 . . . . 1.1 109.73 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -85.19 -79.67 0.23 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.931 -0.577 . . . . 1.49 111.862 -171.739 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp -67.76 105.59 1.98 Allowed 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 111.964 0.357 . . . . 2.35 111.964 -174.176 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 66.42 11.45 56.39 Favored Glycine 0 C--N 1.33 0.202 0 CA-C-N 115.569 -0.742 . . . . 1.17 113.32 174.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 73.6 9.78 78.83 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.749 -0.738 . . . . 0.87 112.169 -176.392 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 80.9 m-85 -103.93 -37.11 7.53 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 122.544 -0.386 . . . . 0.98 111.428 -179.218 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 45.8 t -92.05 110.9 23.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-O 120.992 0.425 . . . . 0.73 111.215 -173.716 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 15.8 t -73.79 121.62 21.14 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.527 -0.76 . . . . 1.48 109.813 176.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.408 ' O ' ' HA2' ' A' ' 28' ' ' GLY . 37.2 ttpt -115.84 144.5 43.92 Favored 'General case' 0 CA--C 1.512 -0.494 0 CA-C-O 120.973 0.416 . . . . 1.56 110.547 178.542 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 68.5 m -111.87 137.61 49.6 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.345 -0.843 . . . . 0.59 110.169 -178.494 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 17.0 p90 . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.284 -0.865 . . . . 1.72 110.136 178.323 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 . . . . . 0 N--CA 1.452 -0.337 0 CA-C-O 121.311 0.577 . . . . 1.06 109.639 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 141.82 -42.63 1.13 Allowed Glycine 0 N--CA 1.444 -0.775 0 N-CA-C 109.82 -1.312 . . . . 0.93 109.82 -171.092 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.647 ' HA ' ' HA ' ' A' ' 10' ' ' GLU . 30.7 m -84.35 94.02 8.38 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.435 -0.579 . . . . 1.42 109.435 172.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 -123.57 48.88 1.78 Allowed 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.358 -0.383 . . . . 1.57 110.765 -173.424 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 154.28 166.48 15.05 Favored Glycine 0 N--CA 1.446 -0.68 0 C-N-CA 120.534 -0.841 . . . . 0.77 112.16 179.564 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -73.58 -35.13 4.96 Favored 'Trans proline' 0 N--CA 1.466 -0.135 0 C-N-CA 122.456 2.104 . . . . 1.07 110.974 173.488 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 8.1 p-90 -97.17 -5.44 37.1 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.259 -0.882 . . . . 4.12 109.812 176.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 63.2 t30 -128.1 32.28 4.93 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.714 0.768 . . . . 1.6 110.096 -172.066 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.647 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 1.2 pt-20 -92.21 101.6 14.11 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.656 -0.702 . . . . 1.62 110.479 177.497 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -104.08 111.58 24.22 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.18 -0.464 . . . . 1.78 110.426 178.759 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -74.55 -14.03 60.75 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.912 -0.586 . . . . 2.4 111.387 -176.06 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.447 HD12 ' ND2' ' A' ' 17' ' ' ASN . 0.1 OUTLIER -73.51 -51.72 16.06 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 121.131 -0.227 . . . . 0.98 110.426 -174.459 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.35 -40.73 78.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.541 -0.3 . . . . 4.04 110.918 179.476 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.481 ' HB3' ' HB3' ' A' ' 37' ' ' CYS . 67.6 m -70.44 -34.62 72.67 Favored 'General case' 0 N--CA 1.444 -0.754 0 CA-C-N 116.538 -0.301 . . . . 1.47 111.323 178.245 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 49.6 t60 -60.12 -50.77 72.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.89 0.376 . . . . 0.83 110.093 172.016 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.447 ' ND2' HD12 ' A' ' 13' ' ' LEU . 95.0 m-20 -62.34 -39.91 94.66 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.702 -0.681 . . . . 0.58 110.494 179.356 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 4.3 t-80 -53.73 -67.07 0.29 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.684 -0.689 . . . . 1.06 111.058 174.086 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.4 ' SG ' ' HA3' ' A' ' 28' ' ' GLY . 80.7 m -57.33 -40.0 77.03 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.106 -0.952 . . . . 0.56 112.612 -173.268 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 51.9 pttt -72.68 -11.84 60.79 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.535 -0.466 . . . . 2.1 111.178 -177.433 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.7 m -89.84 -0.02 57.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.241 0.543 . . . . 1.53 110.021 176.471 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 61.2 mt -106.7 129.16 60.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.619 -0.719 . . . . 0.68 109.326 176.175 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 17.9 ttmm -63.3 129.9 42.22 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.942 -0.392 . . . . 2.51 109.942 -179.435 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 105.4 -13.14 47.75 Favored Glycine 0 N--CA 1.446 -0.656 0 C-N-CA 120.988 -0.625 . . . . 0.79 112.18 -177.002 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 50.8 m-85 -128.52 151.72 49.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.655 0.264 . . . . 0.77 110.71 -179.647 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.56 6.49 3.5 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.426 -0.352 . . . . 2.51 111.713 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.499 ' HA3' ' CE2' ' A' ' 40' ' ' TYR . . . -168.94 165.8 39.2 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.28 -0.962 . . . . 0.56 112.625 177.538 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.474 ' HA2' ' O ' ' A' ' 38' ' ' LYS . . . -161.87 146.18 11.77 Favored Glycine 0 N--CA 1.449 -0.487 0 N-CA-C 111.563 -0.615 . . . . 0.63 111.563 -178.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.568 ' O ' ' HA ' ' A' ' 37' ' ' CYS . 50.8 p90 -148.36 157.97 43.81 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 110.286 -0.264 . . . . 1.08 110.286 -177.158 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -70.98 103.11 2.58 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.263 -0.643 . . . . 1.1 109.263 178.114 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -95.71 -89.0 0.26 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.57 0.224 . . . . 1.49 111.53 -174.439 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -68.19 114.28 6.54 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-O 120.875 0.369 . . . . 2.35 110.955 -173.913 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 72.43 -0.21 42.97 Favored Glycine 0 N--CA 1.452 -0.246 0 CA-C-N 115.641 -0.709 . . . . 1.17 112.755 178.577 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 78.12 11.3 85.5 Favored Glycine 0 N--CA 1.447 -0.633 0 C-N-CA 120.767 -0.73 . . . . 0.87 111.703 -174.169 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -113.3 -43.98 3.29 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.037 0.446 . . . . 0.98 110.762 -179.038 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 86.8 t -78.31 104.2 6.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.926 -0.579 . . . . 0.73 110.556 -176.666 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.568 ' HA ' ' O ' ' A' ' 29' ' ' TYR . 85.6 m -77.08 107.16 9.24 Favored 'General case' 0 N--CA 1.44 -0.947 0 CA-C-N 115.935 -0.575 . . . . 1.48 110.784 179.515 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.499 ' HD2' ' N ' ' A' ' 39' ' ' CYS . 2.2 tmmm? -85.59 129.83 34.72 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.733 -0.667 . . . . 1.56 109.447 -178.444 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.499 ' N ' ' HD2' ' A' ' 38' ' ' LYS . 61.1 m -99.44 134.3 42.51 Favored 'General case' 0 C--N 1.31 -1.143 0 CA-C-N 115.0 -1.0 . . . . 0.59 110.131 -177.552 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.499 ' CE2' ' HA3' ' A' ' 27' ' ' GLY . 14.1 p90 . . . . . 0 C--O 1.246 0.881 0 CA-C-O 118.414 -0.803 . . . . 1.72 110.332 179.734 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 55.1 m-85 . . . . . 0 N--CA 1.452 -0.372 0 CA-C-O 121.287 0.565 . . . . 1.06 109.933 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' GLY . . . . . 0.501 ' HA2' ' CZ ' ' A' ' 14' ' ' ARG . . . 90.77 -42.32 2.89 Favored Glycine 0 N--CA 1.444 -0.8 0 N-CA-C 110.935 -0.866 . . . . 0.93 110.935 -174.796 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 40.5 t -85.55 115.81 23.47 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-N 115.248 -0.476 . . . . 1.42 109.852 174.301 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -125.21 38.37 4.2 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.882 -0.599 . . . . 1.57 109.843 -179.399 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLY . . . . . 0.456 ' HA2' ' O ' ' A' ' 34' ' ' GLY . . . 92.67 175.59 41.47 Favored Glycine 0 N--CA 1.444 -0.821 0 C-N-CA 120.758 -0.734 . . . . 0.77 113.153 176.873 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -35.91 -37.45 0.23 Allowed 'Trans proline' 0 CA--C 1.53 0.288 1 C-N-CA 125.322 4.015 . . . . 1.07 114.984 -179.378 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -86.38 -5.08 59.25 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.985 -0.552 . . . . 4.12 111.919 -171.284 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 47.0 t30 -170.2 56.24 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.459 0.647 . . . . 1.6 109.592 -178.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.79 65.69 3.05 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.998 -0.546 . . . . 1.62 111.137 -177.512 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -73.23 106.87 5.25 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.944 -0.571 . . . . 1.78 109.932 178.305 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -72.08 -32.41 67.01 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.654 -0.703 . . . . 2.4 111.121 -176.682 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.416 HD12 HD21 ' A' ' 17' ' ' ASN . 0.1 OUTLIER -64.12 -49.65 71.37 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 116.442 -0.345 . . . . 0.98 111.042 -173.755 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.501 ' CZ ' ' HA2' ' A' ' 3' ' ' GLY . 83.2 mtp180 -53.15 -50.34 64.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.833 0.349 . . . . 4.04 111.465 178.739 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.6 t -63.79 -42.01 97.82 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.229 -0.441 . . . . 1.47 110.697 177.287 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.411 ' O ' ' HG3' ' A' ' 20' ' ' LYS . 66.4 t60 -54.81 -43.83 73.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.908 -0.587 . . . . 0.83 109.989 175.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.416 HD21 HD12 ' A' ' 13' ' ' LEU . 94.9 m-20 -64.91 -45.48 85.74 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.743 -0.662 . . . . 0.58 110.816 176.89 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 83.8 t60 -57.07 -48.1 79.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.856 -0.611 . . . . 1.06 111.085 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.527 ' O ' ' HB2' ' A' ' 25' ' ' TYR . 84.8 m -67.32 -30.53 70.39 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.173 -0.467 . . . . 0.56 111.368 -177.7 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.411 ' HG3' ' O ' ' A' ' 16' ' ' HIS . 59.3 mtpt -72.19 -32.36 66.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.741 0.305 . . . . 2.1 110.832 178.228 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 18.1 t -65.42 -27.24 68.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.241 0.543 . . . . 1.53 109.818 177.138 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 46.6 mt -88.71 116.6 30.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.775 -0.648 . . . . 0.68 109.364 174.881 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 35.6 ttmt -63.25 131.51 48.62 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-O 121.432 0.634 . . . . 2.51 110.867 -178.027 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 114.55 -14.94 20.11 Favored Glycine 0 N--CA 1.446 -0.684 0 CA-C-N 115.038 -0.983 . . . . 0.79 112.289 -177.311 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.527 ' HB2' ' O ' ' A' ' 19' ' ' CYS . 60.3 m-85 -123.44 154.48 39.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.917 0.389 . . . . 0.77 111.093 -178.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.403 ' HG2' ' OXT' ' A' ' 40' ' ' TYR . 0.0 OUTLIER -119.15 -8.27 10.18 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.789 -0.641 . . . . 2.51 111.31 -179.174 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 174.76 -176.41 46.98 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.493 -0.861 . . . . 0.56 112.174 178.584 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -139.23 175.88 21.35 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.845 -0.693 . . . . 0.63 112.095 179.444 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.476 ' O ' ' HA ' ' A' ' 37' ' ' CYS . 15.9 p90 -155.48 140.66 17.51 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.834 0.349 . . . . 1.08 110.418 176.631 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 8.3 m -73.39 99.04 2.85 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.942 -0.572 . . . . 1.1 110.184 177.799 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.416 ' HB2' ' CE2' ' A' ' 29' ' ' TYR . . . -92.33 -82.17 0.33 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.291 -0.413 . . . . 1.49 111.843 -173.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -59.52 106.97 0.52 Allowed 'General case' 0 C--O 1.235 0.309 0 CA-C-N 116.336 -0.393 . . . . 2.35 111.293 -174.177 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 67.64 6.12 41.11 Favored Glycine 0 N--CA 1.451 -0.308 0 CA-C-N 115.818 -0.628 . . . . 1.17 113.009 177.356 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.456 ' O ' ' HA2' ' A' ' 6' ' ' GLY . . . 76.93 8.5 86.73 Favored Glycine 0 N--CA 1.446 -0.667 0 C-N-CA 120.663 -0.78 . . . . 0.87 112.138 -175.192 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 71.4 m-85 -105.28 -43.34 5.03 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.058 0.456 . . . . 0.98 111.021 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 59.1 t -85.37 105.17 13.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.04 -0.527 . . . . 0.73 110.664 -173.536 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.476 ' HA ' ' O ' ' A' ' 29' ' ' TYR . 18.4 t -83.29 125.37 31.54 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.099 -0.5 . . . . 1.48 110.177 179.693 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.571 ' HD2' ' N ' ' A' ' 39' ' ' CYS . 0.0 OUTLIER -114.14 140.82 48.2 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.804 -0.635 . . . . 1.56 109.313 -179.275 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.571 ' N ' ' HD2' ' A' ' 38' ' ' LYS . 82.8 m -87.96 154.91 20.13 Favored 'General case' 0 C--N 1.311 -1.081 0 CA-C-N 115.763 -0.653 . . . . 0.59 111.273 -176.047 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.403 ' OXT' ' HG2' ' A' ' 26' ' ' LYS . 36.3 p90 . . . . . 0 C--O 1.25 1.127 0 CA-C-O 118.853 -0.594 . . . . 1.72 109.575 176.656 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 46.7 m-85 . . . . . 0 N--CA 1.451 -0.418 0 CA-C-O 121.19 0.519 . . . . 1.06 109.919 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 92.6 -40.89 2.8 Favored Glycine 0 N--CA 1.448 -0.512 0 N-CA-C 111.216 -0.754 . . . . 0.93 111.216 -176.396 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.413 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 34.6 t -68.45 102.76 1.5 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.035 0.445 . . . . 1.42 110.066 177.184 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 31.3 m-80 -111.26 13.38 21.71 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.917 -0.583 . . . . 1.57 110.675 -179.112 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 113.03 -171.33 13.82 Favored Glycine 0 N--CA 1.443 -0.869 0 C-N-CA 120.542 -0.837 . . . . 0.77 112.36 178.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_endo -57.62 -31.32 91.5 Favored 'Trans proline' 0 N--CA 1.473 0.302 0 C-N-CA 123.313 2.675 . . . . 1.07 113.606 -173.625 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 3.0 p-90 -75.32 -13.94 60.45 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.821 0.343 . . . . 4.12 111.313 -178.496 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -168.83 76.04 0.11 Allowed 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.652 -0.499 . . . . 1.6 109.652 -179.341 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.439 ' HB3' ' SG ' ' A' ' 30' ' ' CYS . 39.9 mt-10 -78.1 -25.34 47.47 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.989 0.423 . . . . 1.62 110.195 -179.327 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.7 t70 60.93 -165.5 0.22 Allowed 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.4 -0.818 . . . . 1.78 109.818 179.045 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -171.35 -45.84 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 109.644 -0.502 . . . . 2.4 109.644 -179.662 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.1 -48.37 78.85 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.47 -0.786 . . . . 0.98 110.247 -178.097 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -62.78 -45.01 94.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.122 -0.49 . . . . 4.04 111.525 -178.31 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.462 ' HB3' ' HB3' ' A' ' 37' ' ' CYS . 91.4 m -58.5 -45.2 89.25 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-O 121.471 0.653 . . . . 1.47 109.979 174.772 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.4 ' NE2' ' HD3' ' A' ' 20' ' ' LYS . 75.0 t60 -60.97 -46.21 91.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.171 -0.922 . . . . 0.83 111.089 178.046 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -56.13 -51.8 66.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.435 . . . . 0.58 111.627 -179.061 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 74.6 t60 -58.43 -43.26 88.65 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.121 -0.491 . . . . 1.06 111.404 -178.135 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 68.8 m -78.42 -28.88 46.88 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 112.077 0.399 . . . . 0.56 112.077 -175.246 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.4 ' HD3' ' NE2' ' A' ' 16' ' ' HIS . 18.3 pttp -81.55 -11.63 59.09 Favored 'General case' 0 N--CA 1.462 0.171 0 C-N-CA 120.546 -0.462 . . . . 2.1 110.698 -179.805 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 29.4 t -75.27 -21.71 58.33 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.343 -0.614 . . . . 1.53 109.343 174.884 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 28.8 mt -97.32 136.47 28.02 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.55 0 CA-C-N 115.328 -0.851 . . . . 0.68 109.375 179.191 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 56.1 tttt -83.41 132.49 34.97 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 121.297 0.57 . . . . 2.51 110.264 178.435 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 116.23 -16.28 15.18 Favored Glycine 0 N--CA 1.446 -0.653 0 CA-C-N 115.072 -0.967 . . . . 0.79 111.124 -174.882 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 76.7 m-85 -122.03 153.18 38.94 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 110.123 -0.325 . . . . 0.77 110.123 178.87 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.84 20.75 4.59 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.793 0.33 . . . . 2.51 111.615 -178.115 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 166.1 171.71 32.59 Favored Glycine 0 N--CA 1.444 -0.833 0 C-N-CA 120.109 -1.044 . . . . 0.56 113.138 176.414 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.576 ' HA2' ' O ' ' A' ' 38' ' ' LYS . . . -149.85 149.02 20.88 Favored Glycine 0 N--CA 1.447 -0.624 0 N-CA-C 111.611 -0.596 . . . . 0.63 111.611 179.449 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.9 p90 -156.42 154.51 30.58 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 110.269 -0.271 . . . . 1.08 110.269 -179.031 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.439 ' SG ' ' HB3' ' A' ' 10' ' ' GLU . 33.7 m -65.46 117.77 8.45 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 110.161 -0.311 . . . . 1.1 110.161 178.762 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -134.98 -73.71 0.47 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.463 -0.335 . . . . 1.49 111.466 -179.074 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -61.24 112.53 2.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.3 -0.409 . . . . 2.35 110.561 -178.066 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 74.03 -8.85 10.54 Favored Glycine 0 CA--C 1.52 0.382 0 C-N-CA 121.202 -0.523 . . . . 1.17 112.634 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 80.67 4.87 90.22 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 121.383 -0.436 . . . . 0.87 112.606 -177.862 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -123.69 -8.28 7.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.863 0.364 . . . . 0.98 111.421 -178.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 71.3 t -103.63 121.68 55.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.429 -0.35 . . . . 0.73 111.416 -177.823 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.462 ' HB3' ' HB3' ' A' ' 15' ' ' CYS . 45.1 m -69.63 95.35 0.85 Allowed 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 116.155 -0.475 . . . . 1.48 109.888 172.428 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.576 ' O ' ' HA2' ' A' ' 28' ' ' GLY . 25.9 ttmt -73.43 138.68 45.36 Favored 'General case' 0 CA--C 1.514 -0.43 0 N-CA-C 109.625 -0.509 . . . . 1.56 109.625 177.738 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 60.3 m -100.21 133.91 43.91 Favored 'General case' 0 C--N 1.315 -0.935 0 CA-C-N 115.982 -0.554 . . . . 0.59 110.03 -179.52 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 21.5 p90 . . . . . 0 C--O 1.247 0.933 0 CA-C-O 118.462 -0.78 . . . . 1.72 110.309 -179.654 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 . . . . . 0 N--CA 1.454 -0.273 0 CA-C-O 121.537 0.684 . . . . 1.06 109.799 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' GLY . . . . . 0.415 ' C ' ' HB2' ' A' ' 11' ' ' ASP . . . 86.08 -49.31 4.09 Favored Glycine 0 N--CA 1.445 -0.75 0 CA-C-N 115.042 -0.981 . . . . 0.93 111.159 -176.667 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 49.8 t -70.02 127.54 33.21 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.428 -0.386 . . . . 1.42 110.165 178.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 46.0 m-80 -136.14 34.75 2.81 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.064 0.459 . . . . 1.57 110.664 179.591 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 119.36 170.34 14.53 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.768 -0.729 . . . . 0.77 112.491 177.822 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_exo -54.89 -37.69 92.87 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 123.265 2.644 . . . . 1.07 111.944 -178.549 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -64.91 -27.52 68.91 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 114.975 -1.011 . . . . 4.12 111.028 -178.353 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -139.65 67.13 1.39 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.328 0.585 . . . . 1.6 109.972 -177.474 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -85.19 80.57 9.16 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.604 -0.726 . . . . 1.62 110.419 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.415 ' HB2' ' C ' ' A' ' 3' ' ' GLY . 1.0 OUTLIER -65.9 90.15 0.13 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.361 0.601 . . . . 1.78 110.47 175.64 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -68.6 -38.11 80.34 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.087 -0.961 . . . . 2.4 111.225 -174.473 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.46 HD12 ' ND2' ' A' ' 17' ' ' ASN . 0.1 OUTLIER -72.55 -40.67 66.51 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 110.247 -0.279 . . . . 0.98 110.247 -175.565 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 25.6 mmm180 -55.06 -54.17 46.47 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.522 -0.308 . . . . 4.04 110.709 175.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.6 t -60.67 -42.57 97.34 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.0 -0.545 . . . . 1.47 110.324 176.713 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.435 ' HA ' ' H ' ' A' ' 28' ' ' GLY . 50.8 t60 -57.23 -47.27 81.77 Favored 'General case' 0 CA--C 1.528 0.132 0 CA-C-N 115.976 -0.556 . . . . 0.83 110.543 177.413 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.46 ' ND2' HD12 ' A' ' 13' ' ' LEU . 82.7 m-20 -63.34 -41.52 98.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.907 -0.588 . . . . 0.58 110.986 179.192 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 71.1 t60 -59.65 -44.68 93.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.934 -0.576 . . . . 1.06 110.784 178.79 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 76.7 m -78.24 -24.98 46.7 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.291 -0.413 . . . . 0.56 111.676 -177.242 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.401 ' HG3' ' O ' ' A' ' 16' ' ' HIS . 58.0 mtpt -66.43 -32.69 74.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.925 0.393 . . . . 2.1 110.018 173.374 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 23.1 t -66.57 -27.53 67.8 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.706 -0.679 . . . . 1.53 110.172 177.535 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 45.6 mt -86.2 111.45 21.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.109 -0.496 . . . . 0.68 110.045 178.392 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 22.3 ttmm -59.3 135.19 57.57 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.339 -0.392 . . . . 2.51 110.404 -179.569 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 111.31 -35.6 4.66 Favored Glycine 0 N--CA 1.446 -0.641 0 CA-C-N 115.69 -0.686 . . . . 0.79 111.584 -176.26 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 71.8 m-85 -103.02 161.5 13.71 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 110.251 -0.277 . . . . 0.77 110.251 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -124.97 4.82 7.99 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.718 0.294 . . . . 2.51 111.248 179.281 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 168.63 -178.39 42.11 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.477 -0.868 . . . . 0.56 112.265 177.582 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.435 ' H ' ' HA ' ' A' ' 16' ' ' HIS . . . -157.82 165.39 33.59 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.847 -0.692 . . . . 0.63 112.074 -178.617 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 7.9 p90 -148.82 167.23 26.2 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.866 0.365 . . . . 1.08 110.807 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 57.0 m -77.76 97.91 5.35 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.828 -0.624 . . . . 1.1 110.685 -179.296 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -100.24 -175.73 3.02 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.741 -0.663 . . . . 1.49 110.769 -178.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt 55.16 50.93 14.14 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 115.904 -0.589 . . . . 2.35 111.411 177.76 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 92.69 4.34 65.63 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.983 -0.627 . . . . 1.17 112.17 179.011 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 86.21 42.84 6.48 Favored Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 120.82 -0.705 . . . . 0.87 112.194 -178.763 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -134.03 -46.86 0.78 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.851 0.357 . . . . 0.98 111.525 -178.529 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 58.1 t -84.2 128.56 38.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.297 -0.411 . . . . 0.73 111.252 -174.113 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 41.1 t -76.66 93.31 3.61 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.264 -0.425 . . . . 1.48 109.872 178.344 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 32.8 ttpt -94.87 144.67 25.47 Favored 'General case' 0 CA--C 1.512 -0.492 0 N-CA-C 110.002 -0.37 . . . . 1.56 110.002 -179.608 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 60.8 m -107.8 142.53 37.69 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-N 115.949 -0.568 . . . . 0.59 111.147 -173.833 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 21.8 p90 . . . . . 0 C--O 1.25 1.111 0 CA-C-O 118.771 -0.633 . . . . 1.72 110.248 177.657 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' PHE . . . . . 0.433 ' O ' ' HB3' ' A' ' 14' ' ' ARG . 79.5 m-85 . . . . . 0 N--CA 1.45 -0.431 0 CA-C-O 121.005 0.431 . . . . 1.06 111.082 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' GLY . . . . . 0.432 ' HA3' ' CB ' ' A' ' 14' ' ' ARG . . . 151.4 -32.89 0.93 Allowed Glycine 0 N--CA 1.445 -0.703 0 CA-C-N 115.914 -0.584 . . . . 0.93 111.924 179.429 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 11.4 t -86.89 135.39 33.33 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.683 0.278 . . . . 1.42 110.41 -179.01 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -121.18 1.65 10.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.617 0.246 . . . . 1.57 111.429 -177.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 133.53 176.62 14.48 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.691 -0.766 . . . . 0.77 111.665 -177.203 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_endo -57.17 -29.15 82.44 Favored 'Trans proline' 0 C--O 1.233 0.24 0 C-N-CA 123.198 2.599 . . . . 1.07 112.54 -178.684 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 7.0 p-90 -69.67 -27.01 64.66 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.725 -0.671 . . . . 4.12 110.664 178.001 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -144.92 72.24 1.33 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.8 -0.636 . . . . 1.6 109.604 -174.78 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -91.56 109.2 20.5 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.441 -0.8 . . . . 1.62 110.677 -179.593 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -107.04 73.72 0.95 Allowed 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.791 -0.64 . . . . 1.78 109.997 176.707 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -60.69 -28.67 68.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.314 -0.857 . . . . 2.4 110.411 -178.472 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.461 HD12 ' ND2' ' A' ' 17' ' ' ASN . 0.1 OUTLIER -62.32 -47.25 85.09 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 116.138 -0.483 . . . . 0.98 109.918 178.785 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.433 ' HB3' ' O ' ' A' ' 2' ' ' PHE . 19.7 mmm180 -57.02 -48.93 77.32 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.092 -0.503 . . . . 4.04 111.109 176.386 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 38.4 m -56.08 -46.69 78.92 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-N 115.767 -0.651 . . . . 1.47 110.337 175.512 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.489 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 75.0 t60 -57.16 -51.13 70.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.919 -0.582 . . . . 0.83 110.925 176.583 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.461 ' ND2' HD12 ' A' ' 13' ' ' LEU . 91.5 m-20 -61.11 -32.63 72.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.388 -0.369 . . . . 0.58 111.448 -178.313 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 78.9 t60 -71.86 -46.77 56.78 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.845 0.355 . . . . 1.06 110.829 176.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 84.2 m -71.74 -29.6 64.7 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.216 -0.447 . . . . 0.56 111.813 -174.707 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.489 ' HG2' ' O ' ' A' ' 16' ' ' HIS . 21.5 ptmt -78.04 -4.62 48.12 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 121.021 0.439 . . . . 2.1 110.582 177.129 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 25.3 t -89.46 -3.95 58.18 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.248 -0.649 . . . . 1.53 109.248 173.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 50.8 mt -111.89 126.22 69.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.435 -0.802 . . . . 0.68 109.513 179.248 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -63.73 136.83 57.76 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.899 0.381 . . . . 2.51 110.779 -178.552 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 103.58 -38.0 3.46 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 121.076 -0.583 . . . . 0.79 112.1 179.24 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 83.0 m-85 -88.82 148.62 23.81 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.723 0.297 . . . . 0.77 110.338 -178.715 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -116.73 -20.88 9.33 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.299 -0.41 . . . . 2.51 111.718 -177.347 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.429 ' HA3' ' CZ ' ' A' ' 40' ' ' TYR . . . -153.92 174.89 32.37 Favored Glycine 0 N--CA 1.444 -0.773 0 C-N-CA 119.315 -1.421 . . . . 0.56 113.913 -177.404 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.532 ' HA2' ' O ' ' A' ' 38' ' ' LYS . . . -156.38 153.65 24.9 Favored Glycine 0 N--CA 1.444 -0.787 0 N-CA-C 111.106 -0.798 . . . . 0.63 111.106 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 6.8 p90 -164.45 166.41 20.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.83 0.315 . . . . 1.08 110.325 -177.502 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 62.9 m -78.09 100.93 6.74 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 121.297 0.57 . . . . 1.1 110.969 -179.696 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -117.83 -166.83 1.24 Allowed 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.53 -0.759 . . . . 1.49 109.633 177.74 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.424 ' HB3' ' HB ' ' A' ' 36' ' ' VAL . 26.2 tptp 57.06 52.25 9.38 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-O 121.719 0.771 . . . . 2.35 109.779 178.032 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 95.08 -11.2 69.6 Favored Glycine 0 N--CA 1.45 -0.427 0 CA-C-N 115.393 -0.821 . . . . 1.17 111.758 -177.83 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 95.73 33.0 6.59 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 121.067 -0.587 . . . . 0.87 111.917 -178.809 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -129.1 -38.87 1.59 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.129 0.49 . . . . 0.98 111.051 -178.13 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.424 ' HB ' ' HB3' ' A' ' 32' ' ' LYS . 95.8 t -88.61 130.01 38.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.867 -0.606 . . . . 0.73 111.252 -173.372 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 93.6 m -74.58 87.82 2.14 Favored 'General case' 0 N--CA 1.444 -0.745 0 CA-C-N 116.016 -0.538 . . . . 1.48 110.379 175.519 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.532 ' O ' ' HA2' ' A' ' 28' ' ' GLY . 37.7 ttmt -72.03 144.33 48.82 Favored 'General case' 0 CA--C 1.513 -0.446 0 N-CA-C 110.057 -0.349 . . . . 1.56 110.057 178.878 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 85.7 m -110.45 134.35 52.42 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 115.804 -0.635 . . . . 0.59 109.648 176.269 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.429 ' CZ ' ' HA3' ' A' ' 27' ' ' GLY . 42.0 p90 . . . . . 0 C--O 1.25 1.108 0 CA-C-O 118.563 -0.732 . . . . 1.72 109.778 178.39 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' PHE . . . . . 0.588 ' O ' ' HB3' ' A' ' 14' ' ' ARG . 22.3 m-85 . . . . . 0 N--CA 1.471 0.604 0 N-CA-C 111.994 0.368 . . . . 1.06 111.994 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' GLY . . . . . 0.566 ' HA3' ' CB ' ' A' ' 14' ' ' ARG . . . 144.22 -13.69 2.09 Favored Glycine 0 N--CA 1.443 -0.893 0 N-CA-C 110.916 -0.874 . . . . 0.93 110.916 -175.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.401 ' HA ' ' HA ' ' A' ' 10' ' ' GLU . 88.0 m -92.69 126.53 37.82 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.922 0.391 . . . . 1.42 111.238 176.842 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 38.1 m-80 -127.64 29.74 5.43 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.464 0.65 . . . . 1.57 109.931 176.469 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLY . . . . . 0.519 ' O ' ' HG3' ' A' ' 10' ' ' GLU . . . 117.7 164.05 13.08 Favored Glycine 0 C--O 1.223 -0.552 0 CA-C-N 115.248 -0.887 . . . . 0.77 112.078 178.49 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -64.83 -15.3 49.61 Favored 'Trans proline' 0 N--CA 1.472 0.22 0 C-N-CA 123.086 2.524 . . . . 1.07 112.317 -177.326 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 12.1 p-90 -89.64 -14.8 34.11 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.282 -0.872 . . . . 4.12 110.545 177.172 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -153.79 55.92 0.73 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.564 0.697 . . . . 1.6 111.021 -172.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.519 ' HG3' ' O ' ' A' ' 6' ' ' GLY . 0.0 OUTLIER -103.4 133.05 49.1 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.182 -0.463 . . . . 1.62 110.307 173.076 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.475 ' OD2' ' HG2' ' A' ' 14' ' ' ARG . 19.8 t70 -102.45 115.42 30.53 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.053 0.454 . . . . 1.78 110.884 -176.268 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -66.89 -32.39 73.61 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.428 -0.806 . . . . 2.4 111.033 -176.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.425 HD12 ' ND2' ' A' ' 17' ' ' ASN . 0.1 OUTLIER -68.83 -43.4 75.6 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.879 -0.6 . . . . 0.98 109.793 -177.721 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.588 ' HB3' ' O ' ' A' ' 2' ' ' PHE . 24.6 mmm180 -55.28 -53.6 54.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.911 -0.586 . . . . 4.04 111.105 176.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 66.2 m -54.46 -42.52 70.75 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 116.383 -0.371 . . . . 1.47 110.694 176.54 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 57.6 t60 -59.2 -52.89 63.75 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.403 -0.362 . . . . 0.83 110.751 175.594 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.425 ' ND2' HD12 ' A' ' 13' ' ' LEU . 92.7 m-20 -60.12 -41.06 91.82 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.14 -0.482 . . . . 0.58 111.316 -178.026 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 84.2 t60 -62.64 -48.05 81.06 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.842 -0.617 . . . . 1.06 111.127 179.302 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 74.7 m -77.98 -31.82 50.94 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 112.455 0.539 . . . . 0.56 112.455 -174.556 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 58.3 pttt -69.79 -20.38 63.47 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.962 0.41 . . . . 2.1 110.404 -179.442 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 29.2 t -85.3 -2.2 57.8 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 115.931 -0.577 . . . . 1.53 110.087 179.205 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 54.8 mt -109.68 115.31 49.31 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.508 0 CA-C-N 115.816 -0.629 . . . . 0.68 109.424 177.55 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 26.3 ttpp -55.68 133.63 50.83 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.922 0.391 . . . . 2.51 110.378 -179.24 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 109.63 -34.05 5.71 Favored Glycine 0 N--CA 1.448 -0.531 0 CA-C-N 115.758 -0.655 . . . . 0.79 111.884 -176.142 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -112.05 150.59 30.44 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.764 -0.458 . . . . 0.77 109.764 -179.392 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.402 ' HG3' ' HE2' ' A' ' 40' ' ' TYR . 0.0 OUTLIER -117.02 -6.0 11.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.328 0.585 . . . . 2.51 110.695 179.871 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 179.77 179.19 48.77 Favored Glycine 0 N--CA 1.445 -0.711 0 C-N-CA 120.957 -0.639 . . . . 0.56 111.558 -179.279 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -160.38 170.23 36.35 Favored Glycine 0 N--CA 1.445 -0.762 0 C-N-CA 120.364 -0.922 . . . . 0.63 112.419 -178.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 8.9 p90 -143.13 152.34 41.7 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 110.057 -0.349 . . . . 1.08 110.057 -179.226 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.5 t -80.48 120.38 24.4 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.128 0.489 . . . . 1.1 110.543 -177.064 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -136.66 -166.58 1.92 Allowed 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.626 -0.715 . . . . 1.49 110.247 -178.835 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 47.2 mmtm 53.89 58.71 4.82 Favored 'General case' 0 C--O 1.233 0.188 0 O-C-N 123.668 0.605 . . . . 2.35 111.226 179.426 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 94.58 -6.18 70.64 Favored Glycine 0 N--CA 1.447 -0.622 0 CA-C-N 115.53 -0.759 . . . . 1.17 111.689 -179.105 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 84.23 38.06 10.45 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.985 -0.626 . . . . 0.87 112.126 -178.576 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.432 ' CE2' ' HA2' ' A' ' 6' ' ' GLY . 96.9 m-85 -134.23 -21.93 1.8 Allowed 'General case' 0 C--O 1.233 0.215 0 N-CA-C 112.062 0.393 . . . . 0.98 112.062 178.796 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 61.6 t -98.54 113.64 33.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 C-N-CA 121.04 -0.264 . . . . 0.73 111.354 -175.073 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 51.7 m -71.36 78.19 0.75 Allowed 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 116.31 -0.404 . . . . 1.48 110.392 173.831 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 19.7 ttpp -72.84 144.82 47.32 Favored 'General case' 0 CA--C 1.514 -0.411 0 CA-C-O 120.901 0.381 . . . . 1.56 110.24 -177.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 59.0 m -104.4 160.98 14.47 Favored 'General case' 0 C--N 1.313 -1.007 0 CA-C-N 115.77 -0.65 . . . . 0.59 110.46 -175.305 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.402 ' HE2' ' HG3' ' A' ' 26' ' ' LYS . 4.4 p90 . . . . . 0 C--O 1.25 1.118 0 CA-C-O 118.746 -0.645 . . . . 1.72 110.557 176.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 63.5 m-85 . . . . . 0 N--CA 1.451 -0.422 0 N-CA-C 109.391 -0.596 . . . . 1.06 109.391 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' GLY . . . . . 0.481 ' O ' ' HB2' ' A' ' 11' ' ' ASP . . . 93.5 46.46 3.23 Favored Glycine 0 N--CA 1.442 -0.921 0 N-CA-C 110.765 -0.934 . . . . 0.93 110.765 -172.315 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 45.3 t -161.57 95.01 0.99 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.136 -0.532 . . . . 1.42 109.895 -178.181 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 35.4 m-80 -108.72 33.83 4.0 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.167 0.508 . . . . 1.57 110.717 -177.642 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 109.78 171.94 20.41 Favored Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.894 -0.669 . . . . 0.77 112.717 176.215 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -53.96 -29.09 52.54 Favored 'Trans proline' 0 C--O 1.233 0.257 0 C-N-CA 123.536 2.824 . . . . 1.07 113.185 -176.497 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 25.5 p-90 -81.66 -19.36 41.84 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.287 -0.415 . . . . 4.12 110.965 -179.165 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -144.51 47.96 1.36 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.272 0.558 . . . . 1.6 110.585 -173.205 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -99.75 96.5 7.65 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.739 -0.664 . . . . 1.62 110.44 178.806 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.481 ' HB2' ' O ' ' A' ' 3' ' ' GLY . 10.1 m-20 -62.02 -45.05 95.29 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.543 -0.54 . . . . 1.78 109.543 175.697 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.2 t70 73.41 -37.45 0.38 Allowed 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 124.218 1.007 . . . . 2.4 111.236 173.321 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.452 ' H ' ' C ' ' A' ' 11' ' ' ASP . 0.1 OUTLIER -69.82 -42.29 73.84 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.219 -0.901 . . . . 0.98 109.427 -179.477 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 67.6 mtp180 -57.38 -46.36 83.48 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.157 -0.929 . . . . 4.04 111.312 178.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 88.3 m -60.06 -40.89 91.03 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.874 0.369 . . . . 1.47 110.935 174.233 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.402 ' NE2' ' HD3' ' A' ' 20' ' ' LYS . 69.3 t60 -59.8 -48.98 79.49 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.051 -0.522 . . . . 0.83 110.489 176.223 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -61.26 -43.13 99.38 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.921 -0.582 . . . . 0.58 110.725 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 81.9 t60 -57.06 -49.7 75.05 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.981 -0.554 . . . . 1.06 111.213 177.818 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.448 ' O ' ' HB2' ' A' ' 25' ' ' TYR . 54.2 m -84.83 -28.93 25.74 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 113.068 0.766 . . . . 0.56 113.068 -172.486 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.402 ' HD3' ' NE2' ' A' ' 16' ' ' HIS . 17.0 pttm -72.93 -12.65 61.03 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.118 -0.633 . . . . 2.1 110.149 179.651 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 28.4 t -87.79 -24.1 23.86 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.816 -0.629 . . . . 1.53 110.036 176.008 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 72.5 mt -79.01 121.26 31.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 109.592 -0.522 . . . . 0.68 109.592 178.601 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 23.6 ttpp -56.84 128.5 37.0 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.222 -0.445 . . . . 2.51 110.354 -178.806 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 106.85 -20.06 34.5 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.782 -0.723 . . . . 0.79 112.405 -177.21 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.448 ' HB2' ' O ' ' A' ' 19' ' ' CYS . 70.6 m-85 -117.27 155.44 29.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.891 0.377 . . . . 0.77 110.626 178.108 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.34 -3.58 2.41 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.012 -0.54 . . . . 2.51 111.285 178.144 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.49 ' HA3' ' CZ ' ' A' ' 40' ' ' TYR . . . -152.19 165.87 30.91 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.321 -0.942 . . . . 0.56 113.047 179.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.632 ' HA2' ' O ' ' A' ' 38' ' ' LYS . . . -167.94 111.0 0.42 Allowed Glycine 0 C--O 1.227 -0.292 0 N-CA-C 111.215 -0.754 . . . . 0.63 111.215 178.494 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.486 ' O ' ' HA ' ' A' ' 37' ' ' CYS . 6.1 p90 -135.55 151.4 50.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 117.129 0.464 . . . . 1.08 111.165 -171.326 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 19.0 m -74.29 102.36 4.33 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.883 -0.414 . . . . 1.1 109.883 179.568 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -98.13 -77.57 0.5 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.011 0.434 . . . . 1.49 111.066 -177.427 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp -67.69 116.36 8.31 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.964 -0.562 . . . . 2.35 111.491 -175.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 69.63 1.55 31.07 Favored Glycine 0 C--N 1.33 0.231 0 CA-C-N 115.496 -0.774 . . . . 1.17 113.404 175.07 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 71.88 19.14 78.03 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.544 -0.836 . . . . 0.87 111.567 -173.705 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 58.5 m-85 -120.31 -37.73 3.01 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.639 0.257 . . . . 0.98 111.4 179.39 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 61.4 t -83.25 104.88 12.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 120.843 0.354 . . . . 0.73 111.322 -175.408 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.486 ' HA ' ' O ' ' A' ' 29' ' ' TYR . 95.5 m -77.42 92.97 4.02 Favored 'General case' 0 N--CA 1.443 -0.778 0 CA-C-N 115.861 -0.609 . . . . 1.48 110.224 174.795 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.632 ' O ' ' HA2' ' A' ' 28' ' ' GLY . 36.7 ttpt -76.3 141.66 41.55 Favored 'General case' 0 CA--C 1.508 -0.669 0 N-CA-C 109.367 -0.605 . . . . 1.56 109.367 178.165 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 84.1 m -123.35 133.85 54.08 Favored 'General case' 0 C--N 1.308 -1.225 0 CA-C-N 115.933 -0.576 . . . . 0.59 110.445 -175.77 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.49 ' CZ ' ' HA3' ' A' ' 27' ' ' GLY . 23.0 p90 . . . . . 0 C--O 1.248 0.998 0 CA-C-O 118.029 -0.986 . . . . 1.72 109.982 -174.69 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 . . . . . 0 N--CA 1.451 -0.407 0 CA-C-O 120.87 0.367 . . . . 1.06 110.736 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' GLY . . . . . 0.405 ' HA3' ' CB ' ' A' ' 14' ' ' ARG . . . 67.4 33.69 82.73 Favored Glycine 0 N--CA 1.449 -0.48 0 CA-C-N 115.795 -0.639 . . . . 0.93 111.95 -178.414 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.474 ' HA ' ' HA ' ' A' ' 10' ' ' GLU . 24.9 t -122.13 -89.95 0.59 Allowed 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.918 -0.401 . . . . 1.42 109.918 -179.314 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 58.67 23.71 11.32 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 112.981 0.734 . . . . 1.57 112.981 174.88 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 111.04 159.13 15.84 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.527 -0.844 . . . . 0.77 113.216 175.805 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.526 ' HA ' ' CG ' ' A' ' 10' ' ' GLU . 16.6 Cg_endo -59.72 -25.93 80.61 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 123.537 2.825 . . . . 1.07 113.252 -173.685 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 17.1 p-90 -72.48 -15.64 61.8 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.67 -0.695 . . . . 4.12 111.678 -178.781 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -134.39 -18.98 1.94 Allowed 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.384 0.513 . . . . 1.6 112.384 -170.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.526 ' CG ' ' HA ' ' A' ' 7' ' ' PRO . 0.0 OUTLIER -60.85 145.1 51.26 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 113.262 0.838 . . . . 1.62 113.262 -171.807 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.469 ' OD2' ' HD3' ' A' ' 14' ' ' ARG . 20.5 t70 -130.5 130.82 44.66 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 114.557 -1.202 . . . . 1.78 109.474 176.091 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 34.4 m-20 -67.16 -25.06 65.97 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.676 -0.693 . . . . 2.4 111.861 -174.205 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.466 HD12 ' ND2' ' A' ' 17' ' ' ASN . 0.1 OUTLIER -75.66 -47.85 24.6 Favored 'General case' 0 N--CA 1.449 -0.519 0 N-CA-C 110.435 -0.209 . . . . 0.98 110.435 -175.611 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.469 ' HD3' ' OD2' ' A' ' 11' ' ' ASP . 9.2 mpt_? -59.43 -48.23 82.44 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 121.212 -0.195 . . . . 4.04 111.323 179.136 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 38.8 t -60.88 -43.62 98.19 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.953 -0.388 . . . . 1.47 109.953 177.594 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 75.0 t60 -58.05 -50.28 73.99 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.254 -0.43 . . . . 0.83 111.033 175.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.466 ' ND2' HD12 ' A' ' 13' ' ' LEU . 91.5 m-20 -61.03 -45.36 95.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.169 -0.469 . . . . 0.58 111.097 -178.188 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 49.2 t60 -57.78 -49.95 74.89 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.223 -0.444 . . . . 1.06 110.795 178.151 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 89.5 m -68.71 -39.44 80.46 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.018 -0.537 . . . . 0.56 112.237 -174.864 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 44.4 pttt -73.84 -12.19 60.61 Favored 'General case' 0 N--CA 1.463 0.195 0 C-N-CA 120.354 -0.538 . . . . 2.1 110.937 -179.506 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 55.6 m -81.15 -11.21 59.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.379 0.609 . . . . 1.53 109.978 175.038 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 62.6 mt -99.29 121.34 49.79 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.531 0 CA-C-N 115.441 -0.8 . . . . 0.68 109.184 177.283 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.5 ttmp? -63.53 131.15 47.18 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-O 121.342 0.592 . . . . 2.51 110.571 -177.785 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 109.9 -20.04 27.18 Favored Glycine 0 N--CA 1.445 -0.745 0 CA-C-N 115.059 -0.973 . . . . 0.79 111.975 -175.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 64.4 m-85 -114.91 158.26 22.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.574 0.226 . . . . 0.77 110.435 179.025 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -127.09 -19.49 4.36 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.499 -0.319 . . . . 2.51 111.853 179.719 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -156.05 -179.46 31.12 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.304 -0.95 . . . . 0.56 112.593 179.384 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -159.29 152.67 23.69 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.674 -0.774 . . . . 0.63 112.666 -179.228 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 15.6 p90 -149.54 146.65 27.47 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 110.05 -0.352 . . . . 1.08 110.05 177.284 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.429 ' O ' ' HA2' ' A' ' 34' ' ' GLY . 81.5 m -79.21 101.12 7.81 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.042 0.448 . . . . 1.1 110.71 178.447 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -104.5 -168.3 1.47 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.325 -0.852 . . . . 1.49 110.297 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt 52.61 60.24 3.94 Favored 'General case' 0 C--O 1.234 0.245 0 O-C-N 123.66 0.6 . . . . 2.35 110.823 179.644 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 90.46 -10.01 75.79 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.96 -0.638 . . . . 1.17 111.812 -179.043 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.429 ' HA2' ' O ' ' A' ' 30' ' ' CYS . . . 93.36 14.5 53.65 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 121.038 -0.601 . . . . 0.87 112.17 -179.128 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -103.74 -27.68 12.11 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.811 0.338 . . . . 0.98 111.201 -178.076 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.418 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 45.7 t -99.44 111.17 28.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.457 -0.338 . . . . 0.73 111.362 -172.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 44.5 t -68.06 95.19 0.54 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.331 -0.618 . . . . 1.48 109.331 174.419 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.573 ' HD2' ' N ' ' A' ' 39' ' ' CYS . 1.6 tmmm? -95.05 134.31 37.88 Favored 'General case' 0 CA--C 1.513 -0.454 0 CA-C-O 121.244 0.545 . . . . 1.56 109.616 -177.388 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.573 ' N ' ' HD2' ' A' ' 38' ' ' LYS . 65.4 m -101.12 140.68 35.08 Favored 'General case' 0 C--N 1.308 -1.226 0 CA-C-N 114.978 -1.01 . . . . 0.59 111.064 -174.209 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 37.7 p90 . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.437 -0.792 . . . . 1.72 110.117 176.338 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 . . . . . 0 N--CA 1.465 0.287 0 CA-C-O 121.218 0.532 . . . . 1.06 110.717 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' GLY . . . . . 0.444 ' HA3' ' CB ' ' A' ' 14' ' ' ARG . . . 97.72 -28.14 15.71 Favored Glycine 0 N--CA 1.445 -0.716 0 CA-C-N 115.729 -0.669 . . . . 0.93 112.491 -179.234 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.498 ' HA ' ' HA ' ' A' ' 10' ' ' GLU . 42.6 t -93.98 113.49 25.49 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 120.98 0.419 . . . . 1.42 110.655 -178.511 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ASN . . . . . 0.473 ' HB2' ' ND2' ' A' ' 9' ' ' ASN . 56.9 m-80 -129.99 38.63 3.78 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.044 -0.526 . . . . 1.57 110.39 178.768 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' GLY . . . . . 0.496 ' O ' ' HG3' ' A' ' 10' ' ' GLU . . . 147.36 171.72 16.78 Favored Glycine 0 N--CA 1.447 -0.615 0 CA-C-N 115.871 -0.604 . . . . 0.77 112.34 176.687 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.426 ' HD3' ' CE2' ' A' ' 35' ' ' PHE . 72.0 Cg_endo -76.47 -17.01 16.74 Favored 'Trans proline' 0 C--N 1.335 -0.164 0 C-N-CA 123.37 2.713 . . . . 1.07 111.816 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 4.5 p-90 -116.78 6.69 13.24 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.293 -0.867 . . . . 4.12 109.847 177.602 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.473 ' ND2' ' HB2' ' A' ' 5' ' ' ASN . 56.8 t30 -139.33 45.92 1.94 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 122.059 0.933 . . . . 1.6 108.734 -177.784 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.498 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 0.0 OUTLIER -103.9 94.59 5.5 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-N 114.758 -1.11 . . . . 1.62 110.771 -178.597 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.456 ' HB3' ' HD2' ' A' ' 14' ' ' ARG . 1.0 OUTLIER -69.69 97.66 1.09 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.047 -0.524 . . . . 1.78 111.105 178.33 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -57.73 -40.08 78.8 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.418 -0.81 . . . . 2.4 110.835 179.38 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.434 HD12 ' ND2' ' A' ' 17' ' ' ASN . 0.1 OUTLIER -67.41 -47.13 71.15 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 116.12 -0.491 . . . . 0.98 110.8 -175.132 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.456 ' HD2' ' HB3' ' A' ' 11' ' ' ASP . 0.0 OUTLIER -56.12 -43.36 78.09 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.608 -0.269 . . . . 4.04 110.96 177.351 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 40.9 t -66.45 -40.65 89.54 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.921 -0.4 . . . . 1.47 109.921 178.175 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 65.0 t60 -55.82 -51.83 66.12 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 116.05 -0.523 . . . . 0.83 110.585 173.59 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.434 ' ND2' HD12 ' A' ' 13' ' ' LEU . 93.9 m-20 -62.08 -38.53 89.19 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.786 -0.643 . . . . 0.58 111.14 -178.218 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 57.5 t60 -64.15 -50.46 68.1 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.288 -0.415 . . . . 1.06 111.082 177.381 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 69.2 m -73.32 -27.41 61.51 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 112.797 0.665 . . . . 0.56 112.797 -173.825 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.4 ' HG2' ' HA ' ' A' ' 17' ' ' ASN . 18.1 pttp -76.18 -11.05 59.86 Favored 'General case' 0 N--CA 1.464 0.238 0 C-N-CA 120.065 -0.654 . . . . 2.1 110.141 177.7 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 53.4 m -84.96 -15.48 44.21 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.994 -0.548 . . . . 1.53 109.835 174.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 48.9 mt -91.41 127.12 43.96 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.379 0 CA-C-N 115.743 -0.662 . . . . 0.68 109.345 177.028 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 21.6 ttmm -65.01 131.33 46.29 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.344 0.593 . . . . 2.51 111.103 -177.538 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 105.38 -18.2 42.17 Favored Glycine 0 N--CA 1.448 -0.557 0 CA-C-N 115.142 -0.936 . . . . 0.79 112.317 -178.546 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -117.54 160.24 21.56 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.629 0.252 . . . . 0.77 110.416 179.713 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.28 4.15 8.48 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.015 0.436 . . . . 2.51 110.929 178.634 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 164.35 -174.7 40.43 Favored Glycine 0 N--CA 1.445 -0.721 0 C-N-CA 120.638 -0.791 . . . . 0.56 111.616 -179.613 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -165.56 172.46 41.08 Favored Glycine 0 N--CA 1.445 -0.739 0 C-N-CA 120.635 -0.793 . . . . 0.63 112.759 -175.5 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 11.6 p90 -147.65 151.68 36.59 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.14 -0.689 . . . . 1.08 109.14 -177.851 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 4.8 t -80.91 123.26 28.15 Favored 'General case' 0 C--N 1.32 -0.708 0 C-N-CA 120.294 -0.562 . . . . 1.1 109.802 179.724 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -133.66 -161.37 1.14 Allowed 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.605 -0.725 . . . . 1.49 110.191 -176.373 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.5 mptp? 55.2 59.12 4.16 Favored 'General case' 0 N--CA 1.465 0.292 0 O-C-N 123.424 0.453 . . . . 2.35 110.405 -179.206 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 90.01 -15.05 60.38 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.877 -0.678 . . . . 1.17 111.777 -177.031 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 95.75 38.77 4.57 Favored Glycine 0 N--CA 1.445 -0.724 0 C-N-CA 121.139 -0.553 . . . . 0.87 111.794 -178.603 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.426 ' CE2' ' HD3' ' A' ' 7' ' ' PRO . 93.3 m-85 -137.2 -11.26 1.68 Allowed 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 111.871 0.323 . . . . 0.98 111.871 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 59.9 t -111.5 115.47 49.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 C-N-CA 121.174 -0.21 . . . . 0.73 111.169 -177.145 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 37.6 t -64.89 106.5 1.24 Allowed 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.629 -0.508 . . . . 1.48 109.629 174.298 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.592 ' HD3' ' O ' ' A' ' 39' ' ' CYS . 14.1 tmtt? -113.42 131.95 55.82 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.37 0.605 . . . . 1.56 110.4 -175.187 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.592 ' O ' ' HD3' ' A' ' 38' ' ' LYS . 27.4 m -88.66 152.07 22.05 Favored 'General case' 0 C--N 1.309 -1.181 0 CA-C-N 115.137 -0.938 . . . . 0.59 110.038 -175.682 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 44.9 m-85 . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.483 -0.77 . . . . 1.72 111.859 -176.132 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 . . . . . 0 N--CA 1.463 0.201 0 CA-C-O 120.89 0.376 . . . . 1.06 111.827 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -162.92 -56.76 0.02 OUTLIER Glycine 0 N--CA 1.446 -0.662 0 N-CA-C 111.11 -0.796 . . . . 0.93 111.11 -179.679 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 36.7 m -70.17 124.18 23.48 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.325 -0.62 . . . . 1.42 109.325 173.587 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -102.64 2.37 35.87 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.976 0.417 . . . . 1.57 109.992 -179.588 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 128.76 -179.73 16.45 Favored Glycine 0 N--CA 1.446 -0.698 0 N-CA-C 111.209 -0.757 . . . . 0.77 111.209 -177.176 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 14.8 Cg_endo -56.5 -26.54 64.17 Favored 'Trans proline' 0 N--CA 1.475 0.386 0 C-N-CA 123.357 2.705 . . . . 1.07 113.022 -177.225 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 3.7 p-90 -74.87 -17.31 60.61 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.818 -0.628 . . . . 4.12 111.379 179.211 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -161.81 79.03 0.55 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.214 0.531 . . . . 1.6 109.942 -176.501 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.59 ' HB3' ' SG ' ' A' ' 30' ' ' CYS . 34.1 mt-10 -96.68 72.2 2.64 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.077 -0.51 . . . . 1.62 110.243 -176.457 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -71.98 102.42 2.94 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.978 -0.555 . . . . 1.78 110.783 -179.484 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -69.18 -31.21 69.68 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.305 -0.862 . . . . 2.4 111.03 -176.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.423 HD12 HD21 ' A' ' 17' ' ' ASN . 0.2 OUTLIER -63.28 -58.47 7.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.264 -0.426 . . . . 0.98 111.654 -172.07 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.36 -41.92 73.2 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.554 0.576 . . . . 4.04 112.554 -178.302 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.414 ' HB3' ' HB3' ' A' ' 37' ' ' CYS . 89.8 m -65.29 -43.03 92.44 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-O 121.109 0.48 . . . . 1.47 110.213 175.127 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.515 ' O ' ' HG3' ' A' ' 20' ' ' LYS . 57.9 t60 -57.77 -39.7 78.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.365 -0.834 . . . . 0.83 110.394 177.458 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.423 HD21 HD12 ' A' ' 13' ' ' LEU . 95.1 m-20 -66.6 -51.06 60.54 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.171 -0.468 . . . . 0.58 111.477 178.565 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 85.8 t60 -56.94 -42.8 80.7 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.06 -0.518 . . . . 1.06 111.154 -176.539 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.426 ' O ' ' HB2' ' A' ' 25' ' ' TYR . 75.8 m -69.94 -30.26 67.59 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.185 -0.461 . . . . 0.56 111.427 -178.133 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.515 ' HG3' ' O ' ' A' ' 16' ' ' HIS . 48.3 mtmt -73.41 -31.17 63.72 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.015 0.436 . . . . 2.1 110.27 175.76 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 37.4 t -63.94 -25.51 68.18 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.754 -0.657 . . . . 1.53 110.097 176.869 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 62.1 mt -93.03 127.75 44.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.988 -0.551 . . . . 0.68 109.874 178.103 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 24.2 ttpp -61.61 132.41 53.22 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.219 -0.446 . . . . 2.51 110.308 178.652 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 112.21 -39.91 2.71 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 121.036 -0.602 . . . . 0.79 112.809 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.426 ' HB2' ' O ' ' A' ' 19' ' ' CYS . 47.0 m-85 -100.93 158.32 16.08 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.757 0.313 . . . . 0.77 110.683 -176.259 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.72 6.06 5.11 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.395 -0.366 . . . . 2.51 111.463 -178.626 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 175.48 173.51 41.28 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.654 -0.784 . . . . 0.56 112.037 177.19 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.406 ' HA3' ' SG ' ' A' ' 19' ' ' CYS . . . -158.03 126.65 1.75 Allowed Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.877 -0.678 . . . . 0.63 112.037 -178.699 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 48.1 p90 -105.33 168.36 9.13 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 110.176 -0.305 . . . . 1.08 110.176 -178.836 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.59 ' SG ' ' HB3' ' A' ' 10' ' ' GLU . 1.2 m -83.72 98.6 9.76 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.145 0.497 . . . . 1.1 110.532 -177.061 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -103.53 -177.13 3.28 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.869 -0.605 . . . . 1.49 110.332 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.2 mptp? 56.09 45.24 23.91 Favored 'General case' 0 C--N 1.332 -0.184 0 O-C-N 123.417 0.448 . . . . 2.35 110.836 178.496 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 97.02 -4.39 62.84 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.8 -0.714 . . . . 1.17 112.022 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.83 19.21 22.8 Favored Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 120.772 -0.728 . . . . 0.87 111.999 -179.134 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -108.91 -39.75 5.23 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.843 0.354 . . . . 0.98 111.47 -176.546 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 93.2 t -92.86 124.7 45.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.141 -0.481 . . . . 0.73 111.22 -173.055 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.414 ' HB3' ' HB3' ' A' ' 15' ' ' CYS . 35.9 m -70.59 91.42 0.79 Allowed 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 116.028 -0.533 . . . . 1.48 110.179 176.02 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.404 ' O ' ' HA2' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -85.02 119.32 25.29 Favored 'General case' 0 CA--C 1.509 -0.634 0 CA-C-O 121.66 0.743 . . . . 1.56 109.523 179.886 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 69.0 m -84.22 150.03 25.74 Favored 'General case' 0 C--N 1.3 -1.557 0 CA-C-N 114.178 -1.374 . . . . 0.59 111.222 -172.644 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 18.6 p90 . . . . . 0 C--O 1.248 1.0 0 CA-C-N 115.637 -0.71 . . . . 1.72 109.794 178.657 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 . . . . . 0 CA--C 1.522 -0.119 0 CA-C-O 121.32 0.581 . . . . 1.06 110.859 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -172.81 -53.94 0.05 OUTLIER Glycine 0 N--CA 1.442 -0.963 0 N-CA-C 110.714 -0.954 . . . . 0.93 110.714 179.022 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 31.7 m -79.6 132.85 36.37 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.628 -0.508 . . . . 1.42 109.628 174.783 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 44.7 m-80 -135.34 45.09 2.51 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.096 0.474 . . . . 1.57 110.182 -178.89 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 122.84 164.78 12.21 Favored Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.776 -0.726 . . . . 0.77 112.084 177.768 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_endo -64.44 -22.53 65.6 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.969 2.446 . . . . 1.07 112.72 -176.242 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 10.7 p-90 -86.9 -9.36 55.89 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.798 -0.637 . . . . 4.12 110.954 -179.421 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 28.7 t30 -156.11 81.85 1.0 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.117 -0.492 . . . . 1.6 110.043 -176.087 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.684 ' HB3' ' SG ' ' A' ' 30' ' ' CYS . 39.3 mt-10 -103.56 -78.93 0.55 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.2 -0.455 . . . . 1.62 110.645 -179.771 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.544 ' OD2' ' HG2' ' A' ' 14' ' ' ARG . 16.6 t70 65.46 98.49 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.616 0.722 . . . . 1.78 110.631 -173.746 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -63.1 -25.84 68.55 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.009 -0.996 . . . . 2.4 111.255 -177.883 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.522 HD12 ' ND2' ' A' ' 17' ' ' ASN . 0.0 OUTLIER -63.6 -45.9 88.25 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 116.382 -0.372 . . . . 0.98 110.667 -174.455 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.544 ' HG2' ' OD2' ' A' ' 11' ' ' ASP . 11.7 mmm180 -53.35 -60.03 3.82 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 121.173 0.511 . . . . 4.04 111.317 179.772 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 88.9 m -66.37 -30.54 70.94 Favored 'General case' 0 N--CA 1.442 -0.834 0 CA-C-N 115.92 -0.582 . . . . 1.47 111.581 -177.376 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.447 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 59.0 t60 -61.43 -52.34 64.99 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 110.016 -0.364 . . . . 0.83 110.016 171.159 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.522 ' ND2' HD12 ' A' ' 13' ' ' LEU . 50.1 m-20 -57.19 -35.36 69.51 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-N 115.891 -0.595 . . . . 0.58 110.893 179.522 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 7.2 t-160 -60.21 -68.76 0.26 Allowed 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.742 -0.663 . . . . 1.06 110.688 173.378 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.45 ' SG ' ' HA3' ' A' ' 28' ' ' GLY . 61.8 m -61.24 -35.82 78.29 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.198 -0.91 . . . . 0.56 113.28 -171.726 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.447 ' HG2' ' O ' ' A' ' 16' ' ' HIS . 21.8 ptmt -65.64 -20.25 66.23 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 120.848 0.356 . . . . 2.1 111.18 -177.785 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 17.3 m -82.28 -11.62 58.53 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.15 0.5 . . . . 1.53 110.454 -179.675 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 60.8 mt -92.98 127.34 45.14 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.528 0 N-CA-C 109.483 -0.562 . . . . 0.68 109.483 178.522 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 32.3 ttpt -57.85 127.34 31.59 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.129 -0.487 . . . . 2.51 110.184 179.046 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 106.55 -32.68 7.06 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.933 -0.651 . . . . 0.79 112.705 -178.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 47.1 m-85 -105.86 155.18 19.57 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.128 0.49 . . . . 0.77 110.991 -176.782 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -127.61 -20.6 3.93 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.826 -0.624 . . . . 2.51 111.645 -178.439 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.429 ' HA3' ' CZ ' ' A' ' 40' ' ' TYR . . . -150.37 170.35 30.31 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 119.839 -1.172 . . . . 0.56 113.041 -178.865 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.529 ' HA2' ' O ' ' A' ' 38' ' ' LYS . . . -156.18 135.06 4.35 Favored Glycine 0 N--CA 1.448 -0.548 0 N-CA-C 111.154 -0.778 . . . . 0.63 111.154 178.76 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.587 ' O ' ' HA ' ' A' ' 37' ' ' CYS . 33.9 p90 -130.61 144.72 51.61 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 117.309 0.554 . . . . 1.08 111.763 -174.209 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.684 ' SG ' ' HB3' ' A' ' 10' ' ' GLU . 0.0 OUTLIER -74.17 102.7 4.35 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 115.552 -0.749 . . . . 1.1 109.922 178.369 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -99.7 -79.59 0.49 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.128 -0.487 . . . . 1.49 111.488 -174.678 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -61.7 98.76 0.1 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.999 -0.546 . . . . 2.35 111.605 -174.601 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 71.66 6.88 63.83 Favored Glycine 0 N--CA 1.451 -0.313 0 CA-C-N 115.772 -0.649 . . . . 1.17 112.908 177.183 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 76.78 8.52 86.46 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.665 -0.778 . . . . 0.87 111.777 -174.783 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -101.45 -46.96 4.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.075 0.464 . . . . 0.98 111.103 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 48.6 t -87.65 109.82 19.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.124 -0.489 . . . . 0.73 111.04 -174.69 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.587 ' HA ' ' O ' ' A' ' 29' ' ' TYR . 94.9 m -87.83 117.55 26.75 Favored 'General case' 0 N--CA 1.442 -0.86 0 CA-C-N 115.96 -0.564 . . . . 1.48 110.725 177.47 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.529 ' O ' ' HA2' ' A' ' 28' ' ' GLY . 24.9 ttpp -97.84 139.12 34.16 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.123 -0.49 . . . . 1.56 110.345 179.317 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 65.7 m -96.59 140.45 31.18 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.607 -0.724 . . . . 0.59 110.452 -175.467 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.429 ' CZ ' ' HA3' ' A' ' 27' ' ' GLY . 46.8 p90 . . . . . 0 C--O 1.251 1.172 0 CA-C-O 118.273 -0.87 . . . . 1.72 109.504 176.037 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 . . . . . 0 N--CA 1.451 -0.397 0 CA-C-O 121.202 0.525 . . . . 1.06 110.392 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 88.19 7.51 73.22 Favored Glycine 0 N--CA 1.447 -0.622 0 N-CA-C 111.18 -0.768 . . . . 0.93 111.18 -175.371 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.465 ' SG ' ' HB2' ' A' ' 37' ' ' CYS . 8.7 m -133.05 88.13 2.47 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.825 -0.435 . . . . 1.42 109.825 -178.039 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 -124.82 22.11 8.19 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.245 -0.434 . . . . 1.57 110.469 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' GLY . . . . . 0.402 ' HA2' ' CE2' ' A' ' 35' ' ' PHE . . . 126.14 168.99 12.74 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.503 -0.856 . . . . 0.77 112.861 178.234 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_exo -43.98 -38.97 10.75 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 124.046 3.164 . . . . 1.07 113.407 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -89.07 3.1 52.9 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.555 -0.748 . . . . 4.12 111.91 -174.332 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -131.18 -29.73 1.8 Allowed 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 111.763 0.282 . . . . 1.6 111.763 -177.339 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -49.14 126.7 13.17 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-O 121.243 0.544 . . . . 1.62 111.893 -177.82 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.445 ' OD2' ' HG2' ' A' ' 14' ' ' ARG . 25.0 t70 -138.34 124.53 20.33 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.348 -0.842 . . . . 1.78 109.792 178.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -66.25 -31.33 72.08 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.496 -0.774 . . . . 2.4 111.089 -175.655 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -76.39 -44.26 36.99 Favored 'General case' 0 N--CA 1.445 -0.706 0 CA-C-N 116.121 -0.491 . . . . 0.98 110.701 -177.071 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.445 ' HG2' ' OD2' ' A' ' 11' ' ' ASP . 24.9 mmm180 -54.96 -55.51 29.91 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 116.63 -0.259 . . . . 4.04 111.57 -179.848 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 46.6 t -60.14 -40.28 89.27 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.132 -0.485 . . . . 1.47 110.245 178.315 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.5 t60 -56.49 -49.2 75.36 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.208 -0.451 . . . . 0.83 110.538 174.584 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -58.3 -46.43 86.13 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.852 -0.613 . . . . 0.58 111.197 -179.566 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -62.2 -50.52 71.46 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.242 -0.435 . . . . 1.06 110.984 -179.696 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 93.3 m -71.04 -36.19 72.26 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 112.591 0.589 . . . . 0.56 112.591 -173.75 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.8 pttp -71.01 -15.28 62.55 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.876 0.369 . . . . 2.1 110.741 -178.493 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 23.5 m -86.81 -5.73 59.02 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.025 -0.534 . . . . 1.53 110.478 178.255 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 55.4 mt -101.24 124.56 55.01 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.481 0 CA-C-N 115.866 -0.606 . . . . 0.68 109.789 178.768 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 67.3 tttt -59.51 132.83 55.17 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 116.39 -0.368 . . . . 2.51 110.021 177.064 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 102.82 -16.93 54.01 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.726 -0.75 . . . . 0.79 111.978 -176.614 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -125.11 151.78 45.26 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.876 0.37 . . . . 0.77 110.376 179.694 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.433 ' HG2' ' CE2' ' A' ' 40' ' ' TYR . 0.0 OUTLIER -120.06 -17.32 8.42 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.166 -0.47 . . . . 2.51 111.259 -179.705 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -161.88 178.24 37.81 Favored Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 120.37 -0.919 . . . . 0.56 112.766 -179.27 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -161.64 158.38 30.21 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 121.032 -0.604 . . . . 0.63 112.339 -178.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 14.3 p90 -150.32 151.97 33.74 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.574 0.226 . . . . 1.08 110.559 -179.021 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 13.8 m -82.85 101.2 10.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.027 0.441 . . . . 1.1 110.453 -178.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -96.38 -175.31 3.3 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.843 -0.617 . . . . 1.49 110.037 178.513 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp 57.46 50.84 10.58 Favored 'General case' 0 C--N 1.331 -0.2 0 O-C-N 123.504 0.502 . . . . 2.35 111.097 178.058 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 84.48 13.06 74.19 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 121.005 -0.617 . . . . 1.17 112.3 178.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 80.55 29.84 42.47 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.825 -0.702 . . . . 0.87 112.318 -178.724 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.402 ' CE2' ' HA2' ' A' ' 6' ' ' GLY . 97.0 m-85 -115.34 -33.65 5.22 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 111.818 0.303 . . . . 0.98 111.818 -177.582 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 97.3 t -101.27 111.24 30.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 120.93 0.395 . . . . 0.73 111.205 -175.378 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.465 ' HB2' ' SG ' ' A' ' 4' ' ' CYS . 39.0 t -72.51 99.69 2.56 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.841 -0.618 . . . . 1.48 109.573 175.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 21.1 ttpp -102.84 145.41 29.83 Favored 'General case' 0 CA--C 1.509 -0.62 0 N-CA-C 109.896 -0.409 . . . . 1.56 109.896 179.37 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 34.6 m -105.77 167.77 9.55 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 115.599 -0.728 . . . . 0.59 110.511 -175.561 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.433 ' CE2' ' HG2' ' A' ' 26' ' ' LYS . 38.7 p90 . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.58 -0.724 . . . . 1.72 109.244 172.469 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 . . . . . 0 C--O 1.23 0.045 0 CA-C-O 121.136 0.493 . . . . 1.06 111.249 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -162.43 -43.49 0.02 OUTLIER Glycine 0 N--CA 1.446 -0.641 0 N-CA-C 110.639 -0.984 . . . . 0.93 110.639 179.333 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 22.0 m -77.68 129.98 36.24 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 110.198 -0.297 . . . . 1.42 110.198 175.035 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 58.2 m-80 -141.02 54.77 1.56 Allowed 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.325 0.583 . . . . 1.57 109.925 178.224 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 109.83 160.49 18.45 Favored Glycine 0 N--CA 1.445 -0.742 0 C-N-CA 120.868 -0.682 . . . . 0.77 111.823 179.075 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_exo -50.9 -38.08 57.25 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 123.245 2.63 . . . . 1.07 112.184 -178.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -63.63 -26.54 68.72 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 114.761 -1.108 . . . . 4.12 111.362 -177.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 40.0 t30 -142.44 80.69 1.71 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.207 0.527 . . . . 1.6 110.281 -173.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.495 ' HB3' ' SG ' ' A' ' 30' ' ' CYS . 44.8 mt-10 -114.32 94.55 4.85 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.101 -0.5 . . . . 1.62 110.832 -178.262 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.662 ' OD2' ' HD2' ' A' ' 14' ' ' ARG . 12.7 t70 -105.25 95.72 6.03 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.753 -0.462 . . . . 1.78 109.753 174.906 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -68.66 -23.72 64.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.9 -0.591 . . . . 2.4 110.591 -178.161 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.466 HD12 HD21 ' A' ' 17' ' ' ASN . 0.0 OUTLIER -63.48 -50.85 68.03 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 116.325 -0.398 . . . . 0.98 110.654 -173.56 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.662 ' HD2' ' OD2' ' A' ' 11' ' ' ASP . 0.0 OUTLIER -51.59 -51.2 57.47 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.711 0.291 . . . . 4.04 111.557 176.397 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.449 ' HB3' ' HB3' ' A' ' 37' ' ' CYS . 75.9 m -68.17 -34.91 77.19 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 116.489 -0.323 . . . . 1.47 111.176 -178.087 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 45.8 t60 -59.74 -51.46 69.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.83 109.938 172.006 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.466 HD21 HD12 ' A' ' 13' ' ' LEU . 93.8 m-20 -60.13 -46.43 89.66 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.59 -0.732 . . . . 0.58 111.008 -179.189 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 77.8 t60 -59.75 -49.62 77.01 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.783 -0.644 . . . . 1.06 111.21 -179.535 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.482 ' O ' ' HB2' ' A' ' 25' ' ' TYR . 40.3 m -77.44 -26.42 51.52 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 112.67 0.619 . . . . 0.56 112.67 -174.532 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.4 pttp -75.76 -10.67 59.62 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.256 -0.577 . . . . 2.1 110.07 177.463 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 20.6 m -93.67 -9.69 37.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.946 -0.57 . . . . 1.53 110.466 176.799 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 73.8 mt -102.4 125.93 56.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.032 -0.531 . . . . 0.68 109.901 -179.506 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 33.4 ttpt -58.31 126.51 27.83 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.436 -0.347 . . . . 2.51 110.168 178.35 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 113.49 -23.99 12.88 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.947 -0.644 . . . . 0.79 112.419 -177.444 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.482 ' HB2' ' O ' ' A' ' 19' ' ' CYS . 39.7 m-85 -122.7 158.52 29.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.91 0.355 . . . . 0.77 110.244 178.827 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -133.91 1.84 3.33 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 121.014 -0.274 . . . . 2.51 111.571 173.671 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -176.77 172.73 45.69 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.287 -0.958 . . . . 0.56 112.593 178.095 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -160.31 158.81 30.22 Favored Glycine 0 N--CA 1.451 -0.337 0 N-CA-C 111.914 -0.475 . . . . 0.63 111.914 179.67 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.48 ' O ' ' HA ' ' A' ' 37' ' ' CYS . 45.3 p90 -148.42 155.33 41.08 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 110.19 -0.3 . . . . 1.08 110.19 -179.005 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.495 ' SG ' ' HB3' ' A' ' 10' ' ' GLU . 0.0 OUTLIER -73.03 100.75 3.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.057 0.456 . . . . 1.1 110.984 -177.92 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -111.71 -174.03 2.38 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.099 -0.5 . . . . 1.49 110.029 179.564 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt 52.54 54.97 9.75 Favored 'General case' 0 C--N 1.33 -0.265 0 O-C-N 123.573 0.546 . . . . 2.35 111.244 178.059 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 91.72 -2.37 76.68 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.778 -0.725 . . . . 1.17 112.482 179.282 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 93.91 19.25 34.59 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.82 -0.705 . . . . 0.87 111.967 -179.087 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -111.43 -56.64 2.35 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.838 0.351 . . . . 0.98 111.075 -178.083 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 63.9 t -79.57 114.95 21.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.101 -0.5 . . . . 0.73 110.559 -175.237 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.48 ' HA ' ' O ' ' A' ' 29' ' ' TYR . 93.2 m -75.93 94.49 3.38 Favored 'General case' 0 N--CA 1.439 -1.006 0 CA-C-O 120.976 0.417 . . . . 1.48 110.284 178.208 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 6.5 tmtt? -75.87 129.23 36.65 Favored 'General case' 0 CA--C 1.508 -0.652 0 N-CA-C 108.8 -0.815 . . . . 1.56 108.8 179.346 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 74.5 m -113.97 143.73 44.25 Favored 'General case' 0 C--N 1.304 -1.377 0 CA-C-N 115.139 -0.937 . . . . 0.59 111.484 -173.06 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 23.8 p90 . . . . . 0 C--O 1.25 1.105 0 CA-C-N 115.25 -0.886 . . . . 1.72 110.304 -176.511 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 . . . . . 0 N--CA 1.451 -0.42 0 CA-C-O 121.052 0.454 . . . . 1.06 110.119 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' GLY . . . . . 0.426 ' HA3' ' CB ' ' A' ' 14' ' ' ARG . . . 100.48 -51.32 1.01 Allowed Glycine 0 N--CA 1.447 -0.631 0 N-CA-C 110.398 -1.081 . . . . 0.93 110.398 -174.562 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.753 ' SG ' ' HA ' ' A' ' 10' ' ' GLU . 8.6 t -87.1 129.65 34.83 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.235 -0.654 . . . . 1.42 109.235 171.481 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 51.1 m-80 -134.97 33.33 3.16 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.445 -0.343 . . . . 1.57 111.176 -175.662 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' GLY . . . . . 0.444 ' HA2' ' O ' ' A' ' 34' ' ' GLY . . . 117.99 171.76 15.49 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.654 -0.784 . . . . 0.77 112.47 178.277 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 8.3 Cg_endo -49.71 -30.03 21.43 Favored 'Trans proline' 0 N--CA 1.474 0.364 0 C-N-CA 124.318 3.346 . . . . 1.07 113.854 -176.158 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 12.5 p-90 -72.61 -20.04 61.35 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.315 -0.402 . . . . 4.12 111.217 -178.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 51.7 t30 -158.48 64.38 0.43 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.166 0.508 . . . . 1.6 110.11 -172.881 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.753 ' HA ' ' SG ' ' A' ' 4' ' ' CYS . 42.7 mt-10 -89.55 77.43 7.23 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.208 -0.451 . . . . 1.62 110.248 179.074 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.48 ' OD2' ' HG2' ' A' ' 14' ' ' ARG . 11.3 t70 -74.45 97.56 3.11 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.385 -0.598 . . . . 1.78 109.385 175.615 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -68.52 -31.48 70.75 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.674 -0.694 . . . . 2.4 110.409 -175.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -61.13 -54.32 46.0 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.693 -0.685 . . . . 0.98 111.065 -176.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.48 ' HG2' ' OD2' ' A' ' 11' ' ' ASP . 15.6 mmm-85 -54.95 -56.02 24.26 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.104 -0.498 . . . . 4.04 111.523 -179.125 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.687 ' SG ' ' HB3' ' A' ' 4' ' ' CYS . 83.8 m -62.06 -33.45 74.42 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.443 -0.344 . . . . 1.47 111.554 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.439 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 33.0 t60 -59.11 -50.45 74.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.267 -0.424 . . . . 0.83 109.978 171.822 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 -66.92 -29.92 69.92 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.661 -0.699 . . . . 0.58 111.274 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 67.6 t60 -61.64 -42.71 99.27 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.014 0.435 . . . . 1.06 110.204 175.378 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 94.5 m -76.98 -13.63 59.94 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.139 -0.482 . . . . 0.56 110.839 178.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.439 ' HG2' ' O ' ' A' ' 16' ' ' HIS . 32.6 mmmt -76.68 -25.07 53.26 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.053 0.454 . . . . 2.1 109.996 173.066 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 15.6 m -74.39 -19.74 60.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.889 -0.596 . . . . 1.53 109.966 175.546 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 26.5 mt -101.22 134.45 41.37 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.469 0 CA-C-N 115.751 -0.658 . . . . 0.68 109.737 179.792 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 35.6 ttmt -76.83 138.73 40.0 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 120.998 0.428 . . . . 2.51 111.131 -178.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 104.57 -19.89 40.87 Favored Glycine 0 N--CA 1.45 -0.38 0 CA-C-N 115.525 -0.761 . . . . 0.79 113.253 177.44 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 50.1 m-85 -113.83 143.62 44.36 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.909 0.355 . . . . 0.77 110.985 -175.709 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.46 ' HB2' ' CE2' ' A' ' 40' ' ' TYR . 50.4 mmtt -92.53 -27.74 17.21 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.106 -0.497 . . . . 2.51 110.378 -179.64 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -173.09 -170.96 37.33 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.695 -0.765 . . . . 0.56 112.061 -177.706 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -146.6 157.28 27.35 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 121.078 -0.582 . . . . 0.63 112.033 -176.634 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 3.2 p90 -136.88 144.95 43.81 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.722 0.296 . . . . 1.08 110.89 -176.289 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 7.8 m -73.73 94.7 2.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.928 -0.578 . . . . 1.1 110.55 -178.298 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -109.25 -171.08 1.77 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.642 -0.708 . . . . 1.49 110.242 -178.794 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 32.4 mmmt 51.68 64.46 1.84 Allowed 'General case' 0 C--O 1.234 0.253 0 O-C-N 123.611 0.57 . . . . 2.35 110.781 -179.54 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 86.72 -6.85 81.83 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.904 -0.665 . . . . 1.17 111.801 -178.709 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.444 ' O ' ' HA2' ' A' ' 6' ' ' GLY . . . 93.39 11.53 58.24 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 121.175 -0.536 . . . . 0.87 112.314 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -109.91 -24.1 11.0 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.011 0.374 . . . . 0.98 112.011 -176.675 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 54.2 t -100.66 106.6 19.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 121.091 0.472 . . . . 0.73 110.826 -176.026 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.724 ' SG ' ' HB3' ' A' ' 4' ' ' CYS . 68.8 m -72.97 95.07 1.94 Allowed 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 115.651 -0.704 . . . . 1.48 110.893 178.379 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 24.3 ttpp -93.13 146.42 23.67 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.968 -0.56 . . . . 1.56 110.233 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 75.9 m -81.5 166.5 20.25 Favored 'General case' 0 C--N 1.311 -1.09 0 N-CA-C 108.54 -0.911 . . . . 0.59 108.54 176.085 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.46 ' CE2' ' HB2' ' A' ' 26' ' ' LYS . 10.3 m-30 . . . . . 0 C--O 1.247 0.939 0 CA-C-O 118.12 -0.943 . . . . 1.72 112.001 -177.57 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 50.2 m-85 . . . . . 0 N--CA 1.45 -0.43 0 CA-C-O 120.959 0.409 . . . . 1.06 110.151 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 83.66 -47.21 3.79 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 121.082 -0.58 . . . . 0.93 111.761 -179.245 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 53.7 t -71.4 94.82 1.28 Allowed 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.978 0.418 . . . . 1.42 110.097 178.071 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -108.29 4.45 24.61 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.317 -0.401 . . . . 1.57 111.295 -176.237 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 133.2 175.08 13.8 Favored Glycine 0 N--CA 1.445 -0.714 0 C-N-CA 120.761 -0.733 . . . . 0.77 111.559 -178.213 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.443 ' HA ' ' CG ' ' A' ' 10' ' ' GLU . 25.8 Cg_endo -62.43 -23.82 75.23 Favored 'Trans proline' 0 N--CA 1.471 0.148 0 C-N-CA 122.993 2.462 . . . . 1.07 112.328 -179.072 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 6.0 p-90 -74.04 -20.43 60.3 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.67 -0.696 . . . . 4.12 110.658 177.511 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -149.47 67.86 1.02 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.798 -0.637 . . . . 1.6 109.42 -174.688 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.443 ' CG ' ' HA ' ' A' ' 7' ' ' PRO . 43.3 mt-10 -88.52 67.0 8.43 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.519 -0.764 . . . . 1.62 110.139 -178.421 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.517 ' OD2' ' HB2' ' A' ' 14' ' ' ARG . 26.4 t70 -63.84 115.27 4.67 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.326 0.584 . . . . 1.78 110.619 -178.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -74.18 -42.73 59.39 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.149 -0.932 . . . . 2.4 111.51 -175.891 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.62 -54.03 42.21 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.223 -0.444 . . . . 0.98 111.524 -169.778 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.517 ' HB2' ' OD2' ' A' ' 11' ' ' ASP . 0.9 OUTLIER -60.65 -42.32 96.75 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 111.79 0.293 . . . . 4.04 111.79 -178.003 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 37.2 t -65.65 -39.79 91.77 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.38 0.609 . . . . 1.47 109.564 177.018 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.468 ' O ' ' HG3' ' A' ' 20' ' ' LYS . 84.5 t60 -59.88 -44.15 94.36 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.536 -0.756 . . . . 0.83 110.377 175.47 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -66.05 -45.31 81.85 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.241 -0.436 . . . . 0.58 110.992 178.743 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 74.4 t60 -54.47 -37.76 65.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.787 -0.642 . . . . 1.06 111.031 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 85.6 m -85.04 -15.95 42.37 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.065 -0.516 . . . . 0.56 111.877 -178.135 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.468 ' HG3' ' O ' ' A' ' 16' ' ' HIS . 54.9 mtpt -73.74 -31.75 63.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.103 0.478 . . . . 2.1 110.11 175.026 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.8 p -81.32 8.19 9.74 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.745 -0.661 . . . . 1.53 111.123 177.446 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 42.7 mt -118.86 111.56 34.12 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.535 0 N-CA-C 108.833 -0.802 . . . . 0.68 108.833 173.768 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 23.6 ttmm -68.0 133.59 49.3 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-O 121.485 0.659 . . . . 2.51 110.95 -175.069 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 109.59 -11.44 32.91 Favored Glycine 0 N--CA 1.447 -0.621 0 CA-C-N 114.962 -1.017 . . . . 0.79 111.767 -175.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 50.1 m-85 -123.84 169.55 11.45 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 110.282 -0.266 . . . . 0.77 110.282 178.334 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.504 ' N ' ' HD3' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -143.04 31.19 1.4 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.252 0.548 . . . . 2.51 111.121 -179.208 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 136.66 177.5 15.06 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.615 -0.802 . . . . 0.56 111.589 178.518 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -158.18 175.41 35.37 Favored Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 120.313 -0.946 . . . . 0.63 113.142 -177.04 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 10.7 p90 -151.0 167.69 26.87 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.799 -0.445 . . . . 1.08 109.799 179.302 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.505 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 84.2 m -81.72 96.65 7.62 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.055 0.455 . . . . 1.1 110.81 179.811 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -83.58 -177.0 6.57 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.49 -0.777 . . . . 1.49 110.215 178.337 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 48.3 mmtm 58.53 -150.72 0.43 Allowed 'General case' 0 C--O 1.233 0.23 0 N-CA-C 109.431 -0.581 . . . . 2.35 109.431 -176.6 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -52.16 -24.69 16.11 Favored Glycine 0 CA--C 1.522 0.521 0 C-N-CA 121.219 -0.515 . . . . 1.17 112.871 174.3 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 128.62 19.8 1.62 Allowed Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.804 -0.712 . . . . 0.87 112.859 174.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 77.0 m-85 -116.35 11.44 15.0 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 117.075 0.438 . . . . 0.98 111.692 -177.575 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.505 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 63.8 t -117.75 116.1 50.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 C-N-CA 120.953 -0.299 . . . . 0.73 111.21 -176.403 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 48.2 t -75.79 86.11 2.78 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.505 -0.554 . . . . 1.48 109.505 176.559 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.37 128.48 44.22 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.834 -0.621 . . . . 1.56 110.111 -175.541 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 33.7 m -87.71 160.1 18.23 Favored 'General case' 0 C--N 1.307 -1.264 0 CA-C-N 114.654 -1.157 . . . . 0.59 110.592 -174.669 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 . . . . . 0 C--O 1.252 1.188 0 CA-C-O 117.985 -1.007 . . . . 1.72 110.479 179.488 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' PHE . . . . . 0.524 ' O ' ' HB3' ' A' ' 14' ' ' ARG . 33.6 m-85 . . . . . 0 N--CA 1.468 0.433 0 CA-C-O 120.993 0.425 . . . . 1.06 111.334 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 88.1 -37.53 3.26 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 121.009 -0.615 . . . . 0.93 112.179 -178.831 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.494 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 46.0 t -84.2 106.09 15.56 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.989 0.424 . . . . 1.42 110.71 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 42.7 m-80 -108.51 12.74 25.88 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.951 0.405 . . . . 1.57 110.412 178.833 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 119.01 174.41 15.9 Favored Glycine 0 N--CA 1.445 -0.743 0 C-N-CA 121.032 -0.604 . . . . 0.77 112.571 177.795 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 13.6 Cg_endo -56.8 -29.18 80.0 Favored 'Trans proline' 0 C--O 1.233 0.243 0 C-N-CA 123.324 2.683 . . . . 1.07 112.731 -175.064 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 8.0 p-90 -75.83 -22.5 56.21 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.764 -0.653 . . . . 4.12 110.949 -179.152 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -160.74 69.16 0.36 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.319 0.581 . . . . 1.6 110.474 -174.846 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.446 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 2.1 pt-20 -110.75 161.01 16.21 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.201 -0.454 . . . . 1.62 110.71 177.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -142.27 107.79 5.06 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.772 -0.649 . . . . 1.78 109.589 -179.023 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -66.96 -22.65 65.92 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.124 -0.489 . . . . 2.4 111.531 -175.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.453 HD12 ' ND2' ' A' ' 17' ' ' ASN . 0.1 OUTLIER -76.54 -47.55 22.29 Favored 'General case' 0 N--CA 1.442 -0.831 0 CA-C-N 116.34 -0.391 . . . . 0.98 110.429 -174.845 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.524 ' HB3' ' O ' ' A' ' 2' ' ' PHE . 0.0 OUTLIER -60.71 -40.36 91.99 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.677 -0.238 . . . . 4.04 110.954 178.898 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.494 ' SG ' ' HB2' ' A' ' 4' ' ' CYS . 74.1 m -58.88 -53.19 61.22 Favored 'General case' 0 N--CA 1.447 -0.606 0 N-CA-C 109.857 -0.423 . . . . 1.47 109.857 174.247 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.528 ' O ' ' HG3' ' A' ' 20' ' ' LYS . 27.6 t60 -54.27 -54.45 39.9 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.784 -0.643 . . . . 0.83 111.392 178.881 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.453 ' ND2' HD12 ' A' ' 13' ' ' LEU . 89.4 m-20 -55.95 -48.54 75.58 Favored 'General case' 0 C--N 1.327 -0.39 0 O-C-N 123.485 0.491 . . . . 0.58 111.184 -176.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 74.0 t60 -58.26 -48.01 81.8 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.371 -0.377 . . . . 1.06 110.866 178.224 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 88.0 m -64.66 -47.42 78.55 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.383 0.512 . . . . 0.56 112.383 -175.125 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.528 ' HG3' ' O ' ' A' ' 16' ' ' HIS . 0.0 OUTLIER -80.34 -1.3 40.5 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.241 -0.584 . . . . 2.1 111.694 -176.821 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 69.3 m -82.53 -14.83 54.26 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.087 -0.708 . . . . 1.53 109.087 170.041 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 37.5 mt -98.69 135.6 32.97 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.648 0 CA-C-N 115.162 -0.926 . . . . 0.68 108.767 177.02 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 34.8 ttmt -72.19 134.79 45.87 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-O 121.265 0.555 . . . . 2.51 110.662 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 101.45 4.18 53.0 Favored Glycine 0 N--CA 1.449 -0.464 0 CA-C-N 115.271 -0.877 . . . . 0.79 112.636 -178.47 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 -134.93 158.99 42.86 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.699 0.285 . . . . 0.77 110.38 178.551 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.53 -28.06 2.56 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.404 -0.362 . . . . 2.51 111.637 177.914 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -146.69 175.07 26.3 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 119.831 -1.175 . . . . 0.56 113.161 -177.756 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -155.44 144.59 11.16 Favored Glycine 0 N--CA 1.446 -0.684 0 C-N-CA 121.103 -0.57 . . . . 0.63 112.012 178.681 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 6.3 p90 -144.78 159.81 42.26 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 110.365 -0.235 . . . . 1.08 110.365 179.529 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 81.8 m -75.37 106.8 7.09 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.113 0.482 . . . . 1.1 111.167 -178.146 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -121.91 -172.18 2.39 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.426 -0.806 . . . . 1.49 109.66 177.306 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.0 mmmm 52.23 63.5 2.22 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-O 121.151 0.5 . . . . 2.35 110.781 -179.595 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 92.24 -16.54 59.51 Favored Glycine 0 N--CA 1.448 -0.56 0 N-CA-C 111.251 -0.739 . . . . 1.17 111.251 -176.074 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 87.79 27.22 27.25 Favored Glycine 0 N--CA 1.444 -0.799 0 C-N-CA 121.013 -0.613 . . . . 0.87 111.759 -178.537 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 79.4 m-85 -119.88 -18.12 8.31 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.928 0.394 . . . . 0.98 110.76 179.513 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 48.1 t -103.25 124.12 57.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.174 -0.466 . . . . 0.73 110.796 -175.128 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.408 ' SG ' ' HB2' ' A' ' 2' ' ' PHE . 80.1 m -71.08 88.97 0.8 Allowed 'General case' 0 N--CA 1.447 -0.581 0 N-CA-C 109.712 -0.477 . . . . 1.48 109.712 173.608 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.419 ' HD2' ' N ' ' A' ' 39' ' ' CYS . 3.5 tmmm? -83.76 131.81 34.88 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.15 -0.685 . . . . 1.56 109.15 -179.526 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.419 ' N ' ' HD2' ' A' ' 38' ' ' LYS . 56.7 m -100.29 141.56 32.97 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 115.0 -1.0 . . . . 0.59 111.37 -171.368 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 46.2 p90 . . . . . 0 C--O 1.251 1.169 0 CA-C-O 118.131 -0.938 . . . . 1.72 109.533 175.206 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 71.6 m-85 . . . . . 0 N--CA 1.454 -0.235 0 CA-C-O 121.165 0.507 . . . . 1.06 110.12 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 99.39 -34.89 5.08 Favored Glycine 0 C--N 1.318 -0.425 0 N-CA-C 111.215 -0.754 . . . . 0.93 111.215 -177.896 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 23.5 m -80.49 98.2 7.46 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.225 -0.488 . . . . 1.42 110.185 177.543 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 54.7 m-80 -140.36 41.72 1.91 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.79 0.329 . . . . 1.57 111.186 -176.136 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 158.53 165.62 16.12 Favored Glycine 0 N--CA 1.444 -0.829 0 C-N-CA 120.229 -0.986 . . . . 0.77 112.696 179.188 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -77.06 -26.8 7.4 Favored 'Trans proline' 0 N--CA 1.464 -0.234 0 C-N-CA 122.503 2.135 . . . . 1.07 110.293 172.739 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 25.5 p-90 -105.14 -14.4 15.4 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 114.712 -1.131 . . . . 4.12 110.208 175.476 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -108.48 55.95 0.63 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.372 0.606 . . . . 1.6 109.897 -175.149 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -100.01 118.2 35.89 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.51 -0.768 . . . . 1.62 110.708 -179.505 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -117.67 102.71 9.37 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.151 0.5 . . . . 1.78 109.742 172.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 36.4 m-20 -78.83 -13.22 59.93 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.673 -0.694 . . . . 2.4 110.823 -175.494 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.447 HD12 HD21 ' A' ' 17' ' ' ASN . 0.1 OUTLIER -71.48 -53.27 14.48 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 109.968 -0.382 . . . . 0.98 109.968 -177.543 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -58.27 -38.6 77.31 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.209 -0.45 . . . . 4.04 111.106 177.733 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.3 t -65.83 -44.22 86.24 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.135 0.493 . . . . 1.47 109.812 175.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.496 ' HA ' ' H ' ' A' ' 28' ' ' GLY . 54.5 t60 -54.33 -47.9 72.0 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.744 -0.662 . . . . 0.83 110.595 174.041 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.459 ' HA ' ' HG2' ' A' ' 20' ' ' LYS . 92.9 m-20 -62.49 -41.05 98.55 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.864 -0.607 . . . . 0.58 111.026 -179.045 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 67.7 t60 -61.53 -48.89 78.97 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.137 -0.483 . . . . 1.06 111.014 176.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 74.6 m -76.87 -29.52 55.86 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.569 0.581 . . . . 0.56 112.569 -174.582 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.459 ' HG2' ' HA ' ' A' ' 17' ' ' ASN . 61.2 pttt -73.6 -14.62 61.22 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 121.126 0.489 . . . . 2.1 110.032 178.678 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 47.4 t -73.91 -26.36 60.49 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.815 -0.629 . . . . 1.53 109.656 174.506 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 54.6 mt -90.28 117.61 33.91 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.461 0 CA-C-N 115.453 -0.794 . . . . 0.68 109.454 177.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.2 ttmm -69.12 128.42 36.58 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.278 -0.419 . . . . 2.51 110.573 -175.491 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 118.07 -17.03 11.83 Favored Glycine 0 N--CA 1.449 -0.451 0 CA-C-N 115.736 -0.665 . . . . 0.79 112.279 -177.679 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 87.3 m-85 -113.02 141.57 46.71 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 110.105 -0.332 . . . . 0.77 110.105 179.058 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.656 ' HB2' ' CE2' ' A' ' 40' ' ' TYR . 91.0 mttt -80.33 -22.8 41.11 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.326 0.584 . . . . 2.51 110.601 -178.502 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 166.75 -160.11 33.66 Favored Glycine 0 N--CA 1.439 -1.136 0 CA-C-N 115.418 -0.81 . . . . 0.56 111.601 -179.504 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.496 ' H ' ' HA ' ' A' ' 16' ' ' HIS . . . -153.96 161.01 29.74 Favored Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 120.964 -0.636 . . . . 0.63 111.763 -176.588 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -154.5 157.96 39.15 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 110.083 -0.34 . . . . 1.08 110.083 -177.825 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 34.1 m -76.74 102.47 6.24 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.102 -0.499 . . . . 1.1 110.257 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -115.88 -173.9 2.43 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.572 -0.74 . . . . 1.49 110.245 -179.019 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 41.7 tptt 57.18 48.15 15.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.422 0.629 . . . . 2.35 110.332 175.599 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 103.65 -12.44 53.81 Favored Glycine 0 N--CA 1.447 -0.629 0 CA-C-N 115.687 -0.688 . . . . 1.17 111.627 -177.4 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 93.62 13.33 55.58 Favored Glycine 0 N--CA 1.446 -0.671 0 C-N-CA 120.944 -0.646 . . . . 0.87 111.813 -178.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 53.9 m-85 -112.66 -27.77 8.06 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.997 0.427 . . . . 0.98 110.669 -177.884 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 57.9 t -91.68 110.03 22.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 116.018 -0.537 . . . . 0.73 110.778 -174.513 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 44.0 t -67.1 102.49 1.02 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.766 -0.652 . . . . 1.48 109.533 174.753 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 34.4 ttpt -106.56 147.89 28.9 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.463 -0.335 . . . . 1.56 110.4 -176.859 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 33.9 m -110.25 141.29 43.43 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.802 -0.635 . . . . 0.59 109.75 -178.355 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.656 ' CE2' ' HB2' ' A' ' 26' ' ' LYS . 52.2 p90 . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.751 -0.643 . . . . 1.72 110.243 179.496 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.686 0 N-CA-C 111.523 -0.631 . . . . 2.06 111.523 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.41 ' O ' ' HB3' ' A' ' 14' ' ' ARG . 39.6 m-85 50.05 67.46 0.9 Allowed 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 122.955 0.502 . . . . 1.06 111.296 176.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 82.52 -47.15 3.7 Favored Glycine 0 N--CA 1.45 -0.425 0 CA-C-N 115.913 -0.585 . . . . 0.93 111.896 -178.609 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 49.6 t -74.56 119.43 18.74 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 120.977 0.418 . . . . 1.42 110.397 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -110.77 9.8 22.65 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.5 -0.318 . . . . 1.57 110.772 -179.124 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.438 ' HA2' ' O ' ' A' ' 34' ' ' GLY . . . 118.25 -175.69 15.82 Favored Glycine 0 N--CA 1.442 -0.9 0 C-N-CA 120.653 -0.784 . . . . 0.77 112.213 179.212 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -53.25 -31.11 54.5 Favored 'Trans proline' 0 CA--C 1.529 0.237 0 C-N-CA 123.728 2.952 . . . . 1.07 113.608 -175.601 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 8.8 p-90 -74.9 -24.0 58.46 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.857 0.36 . . . . 4.12 111.069 -179.334 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -151.88 71.02 0.96 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.435 -0.58 . . . . 1.6 109.435 -175.538 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -86.15 150.23 24.56 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.016 -0.735 . . . . 1.62 109.016 178.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.575 ' CG ' ' HD2' ' A' ' 14' ' ' ARG . 6.6 t0 -143.28 98.55 3.28 Favored 'General case' 0 C--N 1.319 -0.72 0 C-N-CA 120.537 -0.465 . . . . 1.78 110.588 -178.696 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -65.09 -30.14 71.06 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.669 -0.696 . . . . 2.4 110.778 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.572 HD12 ' NH2' ' A' ' 14' ' ' ARG . 2.4 tm? -75.36 -52.73 10.08 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.161 -0.472 . . . . 0.98 111.26 -173.175 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.575 ' HD2' ' CG ' ' A' ' 11' ' ' ASP . 0.0 OUTLIER -57.13 -45.53 83.43 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 120.899 -0.32 . . . . 4.04 111.112 178.463 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 74.6 m -58.83 -46.1 88.47 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-O 120.954 0.407 . . . . 1.47 110.16 176.032 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.3 t60 -54.01 -50.89 65.59 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-N 115.85 -0.614 . . . . 0.83 111.027 175.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.464 ' ND2' HD13 ' A' ' 13' ' ' LEU . 98.4 m-20 -62.17 -34.91 77.31 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.169 -0.469 . . . . 0.58 111.703 -177.548 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 65.9 t60 -68.86 -48.74 62.67 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.381 -0.372 . . . . 1.06 110.568 176.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 71.4 m -70.46 -34.99 73.05 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.212 -0.449 . . . . 0.56 112.156 -174.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 57.3 pttt -75.34 -8.49 56.81 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.692 -0.403 . . . . 2.1 110.532 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 17.5 t -84.78 -11.11 56.44 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.402 -0.592 . . . . 1.53 109.402 176.255 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 47.7 mt -105.2 114.54 45.02 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.492 0 CA-C-N 115.548 -0.751 . . . . 0.68 109.51 178.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 21.8 ttmm -56.12 131.71 48.36 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.07 0.462 . . . . 2.51 110.877 -178.466 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 114.44 -36.51 3.94 Favored Glycine 0 N--CA 1.447 -0.578 0 CA-C-N 115.546 -0.752 . . . . 0.79 112.031 -176.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 69.4 m-85 -100.92 163.83 12.12 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.634 0.254 . . . . 0.77 110.36 -179.269 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.98 -29.51 2.3 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.37 -0.377 . . . . 2.51 111.277 177.696 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.536 ' HA3' ' CZ ' ' A' ' 40' ' ' TYR . . . -137.73 169.28 24.19 Favored Glycine 0 N--CA 1.444 -0.78 0 C-N-CA 119.618 -1.277 . . . . 0.56 113.166 -176.695 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.614 ' HA2' ' O ' ' A' ' 38' ' ' LYS . . . -156.29 141.35 7.9 Favored Glycine 0 N--CA 1.446 -0.652 0 N-CA-C 111.277 -0.729 . . . . 0.63 111.277 179.437 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -151.81 158.08 42.81 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 117.005 0.402 . . . . 1.08 110.599 -177.205 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 10.1 m -69.62 97.95 1.1 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.101 -0.5 . . . . 1.1 110.331 -179.598 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -99.18 -81.86 0.45 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.221 -0.445 . . . . 1.49 111.448 -176.674 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -59.2 111.31 1.3 Allowed 'General case' 0 C--O 1.235 0.329 0 CA-C-O 120.969 0.414 . . . . 2.35 111.525 -176.639 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 70.34 -4.97 7.53 Favored Glycine 0 C--N 1.332 0.315 0 CA-C-N 115.349 -0.841 . . . . 1.17 112.74 179.221 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.438 ' O ' ' HA2' ' A' ' 6' ' ' GLY . . . 81.07 14.49 79.17 Favored Glycine 0 N--CA 1.444 -0.825 0 C-N-CA 120.696 -0.764 . . . . 0.87 111.418 -172.722 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -111.77 -44.74 3.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.892 0.377 . . . . 0.98 110.976 -179.675 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 60.7 t -78.73 122.19 33.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.908 -0.587 . . . . 0.73 111.677 -173.716 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 85.2 m -73.3 92.88 1.84 Allowed 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 116.116 -0.493 . . . . 1.48 109.942 173.363 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.614 ' O ' ' HA2' ' A' ' 28' ' ' GLY . 27.8 ttmt -73.71 136.83 43.76 Favored 'General case' 0 CA--C 1.51 -0.574 0 N-CA-C 109.24 -0.652 . . . . 1.56 109.24 176.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 62.5 m -103.6 133.54 48.45 Favored 'General case' 0 C--N 1.309 -1.159 0 CA-C-N 115.852 -0.613 . . . . 0.59 110.219 -177.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.536 ' CZ ' ' HA3' ' A' ' 27' ' ' GLY . 29.8 p90 . . . . . 0 C--O 1.25 1.113 0 CA-C-O 118.595 -0.717 . . . . 1.72 109.536 178.807 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.736 0 N-CA-C 112.082 -0.407 . . . . 2.06 112.082 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -84.03 64.91 8.43 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.295 0.569 . . . . 1.06 110.257 -178.402 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.484 ' HA2' ' CZ ' ' A' ' 14' ' ' ARG . . . 105.82 -13.63 45.8 Favored Glycine 0 N--CA 1.445 -0.716 0 CA-C-N 115.351 -0.84 . . . . 0.93 111.068 -176.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.48 ' HA ' ' HA ' ' A' ' 10' ' ' GLU . 55.8 m -102.9 107.58 18.46 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 114.961 -0.619 . . . . 1.42 110.083 179.375 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.421 ' HB2' ' HB3' ' A' ' 9' ' ' ASN . 37.8 m-80 -120.26 15.5 12.25 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 120.813 0.339 . . . . 1.57 110.57 -179.652 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 115.28 175.94 18.47 Favored Glycine 0 N--CA 1.443 -0.839 0 C-N-CA 120.615 -0.802 . . . . 0.77 112.237 179.191 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_endo -54.9 -26.88 50.82 Favored 'Trans proline' 0 N--CA 1.473 0.289 0 C-N-CA 123.616 2.877 . . . . 1.07 113.377 -175.24 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 9.8 p-90 -81.26 -22.35 38.76 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.091 -0.504 . . . . 4.12 111.159 -178.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.421 ' HB3' ' HB2' ' A' ' 5' ' ' ASN . 52.7 t-20 -155.06 64.27 0.64 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.224 0.535 . . . . 1.6 110.169 -172.214 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.48 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 7.1 pt-20 -120.15 94.87 4.53 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.373 0.606 . . . . 1.62 110.294 175.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -80.8 102.84 10.24 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.835 -0.62 . . . . 1.78 110.592 -179.428 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -55.93 -36.56 67.89 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.108 -0.951 . . . . 2.4 110.614 178.694 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.4 HD12 HD21 ' A' ' 17' ' ' ASN . 0.1 OUTLIER -65.91 -46.8 76.95 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 115.731 -0.668 . . . . 0.98 110.48 -178.679 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.484 ' CZ ' ' HA2' ' A' ' 3' ' ' GLY . 0.0 OUTLIER -55.48 -49.73 71.77 Favored 'General case' 0 N--CA 1.441 -0.897 0 C-N-CA 123.214 0.606 . . . . 4.04 111.19 179.136 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 48.6 t -60.82 -48.18 82.99 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.402 -0.817 . . . . 1.47 110.127 177.413 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.428 ' NE2' ' HD3' ' A' ' 20' ' ' LYS . 51.3 t60 -52.56 -48.94 65.84 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.008 -0.542 . . . . 0.83 110.913 175.241 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.4 HD21 HD12 ' A' ' 13' ' ' LEU . 93.0 m-20 -59.65 -42.23 92.33 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.014 -0.539 . . . . 0.58 111.214 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 78.4 t60 -62.62 -46.42 88.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 1.06 111.07 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 60.3 m -75.96 -36.87 59.12 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.265 -0.425 . . . . 0.56 112.08 -174.59 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.428 ' HD3' ' NE2' ' A' ' 16' ' ' HIS . 19.3 pttp -72.37 -18.24 61.76 Favored 'General case' 0 N--CA 1.463 0.194 0 C-N-CA 121.006 -0.278 . . . . 2.1 111.202 -176.255 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 12.9 p -92.37 6.36 47.22 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.156 0.503 . . . . 1.53 110.764 179.293 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 68.2 mt -112.41 122.22 66.24 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.497 0 CA-C-N 115.77 -0.65 . . . . 0.68 109.546 176.292 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 25.4 ttpp -60.08 132.33 53.6 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.896 0.379 . . . . 2.51 110.325 178.594 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 110.43 -21.72 23.53 Favored Glycine 0 N--CA 1.447 -0.63 0 CA-C-N 115.865 -0.607 . . . . 0.79 111.896 -176.031 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 69.3 m-85 -119.68 171.86 8.09 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.916 0.388 . . . . 0.77 110.257 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -138.54 -30.35 0.77 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.97 -0.559 . . . . 2.51 111.597 176.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -142.03 170.62 24.86 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 119.8 -1.191 . . . . 0.56 112.712 -177.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.42 ' HA2' ' O ' ' A' ' 38' ' ' LYS . . . -157.04 151.49 22.85 Favored Glycine 0 N--CA 1.445 -0.747 0 C-N-CA 120.785 -0.721 . . . . 0.63 112.108 179.721 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 13.4 p90 -156.95 155.27 31.04 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.839 0.352 . . . . 1.08 110.116 177.206 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.475 ' SG ' ' HB2' ' A' ' 10' ' ' GLU . 3.4 m -80.97 105.19 12.0 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.347 -0.612 . . . . 1.1 109.347 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.74 -84.85 0.22 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.854 -0.612 . . . . 1.49 111.761 -171.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 50.2 mmtm -62.59 106.79 0.83 Allowed 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 116.283 -0.417 . . . . 2.35 111.57 -175.439 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 71.07 -2.26 19.74 Favored Glycine 0 C--N 1.331 0.258 0 CA-C-N 115.406 -0.815 . . . . 1.17 113.371 176.478 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 81.24 7.63 88.19 Favored Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 120.703 -0.761 . . . . 0.87 111.654 -173.759 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -98.97 -38.64 8.91 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.17 0.51 . . . . 0.98 110.606 179.65 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 61.9 t -84.78 111.41 20.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.901 -0.591 . . . . 0.73 111.316 -174.796 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 38.1 t -75.31 105.28 6.25 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.503 -0.771 . . . . 1.48 109.415 174.325 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.42 ' O ' ' HA2' ' A' ' 28' ' ' GLY . 32.1 ttmt -92.24 141.36 28.65 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 110.072 -0.344 . . . . 1.56 110.072 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 73.7 m -115.1 134.64 54.99 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 116.121 -0.49 . . . . 0.59 110.003 179.311 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 41.0 p90 . . . . . 0 C--O 1.251 1.141 0 CA-C-O 118.198 -0.906 . . . . 1.72 109.624 177.459 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.752 0 N-CA-C 112.072 -0.411 . . . . 2.06 112.072 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -84.19 58.96 5.06 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.079 0.466 . . . . 1.06 110.576 -178.052 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 89.5 -26.97 8.26 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 121.054 -0.593 . . . . 0.93 111.81 -177.835 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.505 ' SG ' ' HB2' ' A' ' 15' ' ' CYS . 84.7 m -89.07 92.39 9.19 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 120.948 0.404 . . . . 1.42 110.52 179.361 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -120.09 34.65 5.14 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.223 -0.444 . . . . 1.57 111.308 -177.426 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 109.65 170.13 20.26 Favored Glycine 0 C--O 1.219 -0.816 0 C-N-CA 120.811 -0.709 . . . . 0.77 113.281 173.123 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.568 ' HA ' ' OE1' ' A' ' 10' ' ' GLU . 9.5 Cg_endo -54.31 -26.61 44.23 Favored 'Trans proline' 0 N--CA 1.473 0.283 0 C-N-CA 123.652 2.901 . . . . 1.07 113.41 -175.415 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -96.55 -4.97 40.34 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.01 -0.541 . . . . 4.12 110.768 -177.673 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 15.1 t-20 -152.97 41.35 0.57 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.868 0.366 . . . . 1.6 110.435 -172.756 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.568 ' OE1' ' HA ' ' A' ' 7' ' ' PRO . 4.6 pt-20 -103.77 89.55 3.36 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.542 0.686 . . . . 1.62 110.875 179.479 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -80.37 91.28 5.66 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.318 -0.855 . . . . 1.78 110.318 178.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -56.4 -33.18 65.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.922 -0.581 . . . . 2.4 110.616 179.14 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -57.59 -52.01 67.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.951 -0.568 . . . . 0.98 110.606 179.322 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 62.6 mtp180 -60.38 -46.83 88.56 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.92 -0.582 . . . . 4.04 111.643 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.505 ' HB2' ' SG ' ' A' ' 4' ' ' CYS . 43.5 t -55.4 -48.87 73.69 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.062 0.458 . . . . 1.47 110.266 173.893 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 7.4 t-80 -52.03 -51.46 57.3 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.699 -0.682 . . . . 0.83 111.173 175.805 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -63.13 -36.28 83.07 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.181 -0.463 . . . . 0.58 111.317 -178.308 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.461 ' O ' HG13 ' A' ' 22' ' ' ILE . 82.4 t60 -63.52 -42.31 98.47 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.804 0.335 . . . . 1.06 110.239 177.014 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.413 ' SG ' ' HA3' ' A' ' 28' ' ' GLY . 83.1 m -72.54 -20.52 61.32 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.059 -0.518 . . . . 0.56 111.366 -179.214 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 30.1 mmmt -79.27 -27.97 42.32 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.125 0.488 . . . . 2.1 110.412 174.386 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 38.6 m -74.31 -14.6 60.92 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.725 -0.67 . . . . 1.53 110.242 175.471 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.461 HG13 ' O ' ' A' ' 18' ' ' HIS . 49.2 mt -101.8 120.39 51.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.162 -0.472 . . . . 0.68 109.848 178.154 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 35.2 ttpt -65.3 136.76 56.96 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.407 -0.36 . . . . 2.51 110.37 179.711 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 101.33 12.9 34.62 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.733 -0.746 . . . . 0.79 113.198 177.263 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 74.1 m-85 -137.29 158.55 44.18 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 110.129 -0.322 . . . . 0.77 110.129 177.495 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.94 -13.93 8.54 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 111.653 0.242 . . . . 2.51 111.653 179.776 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -163.84 173.93 39.95 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.028 -1.082 . . . . 0.56 112.724 179.021 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.413 ' HA3' ' SG ' ' A' ' 19' ' ' CYS . . . -154.99 152.2 23.76 Favored Glycine 0 N--CA 1.448 -0.541 0 N-CA-C 111.617 -0.593 . . . . 0.63 111.617 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.3 p90 -156.27 156.17 33.59 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.725 0.298 . . . . 1.08 110.212 -178.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.5 m -82.72 102.53 11.59 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.095 0.474 . . . . 1.1 109.73 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -85.19 -79.67 0.23 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.931 -0.577 . . . . 1.49 111.862 -171.739 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp -67.76 105.59 1.98 Allowed 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 111.964 0.357 . . . . 2.35 111.964 -174.176 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 66.42 11.45 56.39 Favored Glycine 0 C--N 1.33 0.202 0 CA-C-N 115.569 -0.742 . . . . 1.17 113.32 174.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 73.6 9.78 78.83 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.749 -0.738 . . . . 0.87 112.169 -176.392 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 80.9 m-85 -103.93 -37.11 7.53 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 122.544 -0.386 . . . . 0.98 111.428 -179.218 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 45.8 t -92.05 110.9 23.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-O 120.992 0.425 . . . . 0.73 111.215 -173.716 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 15.8 t -73.79 121.62 21.14 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.527 -0.76 . . . . 1.48 109.813 176.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.408 ' O ' ' HA2' ' A' ' 28' ' ' GLY . 37.2 ttpt -115.84 144.5 43.92 Favored 'General case' 0 CA--C 1.512 -0.494 0 CA-C-O 120.973 0.416 . . . . 1.56 110.547 178.542 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 68.5 m -111.87 137.61 49.6 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.345 -0.843 . . . . 0.59 110.169 -178.494 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 17.0 p90 . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.284 -0.865 . . . . 1.72 110.136 178.323 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.504 0 N-CA-C 111.869 -0.492 . . . . 2.06 111.869 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -108.54 41.66 1.54 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.311 0.577 . . . . 1.06 109.639 179.489 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 141.82 -42.63 1.13 Allowed Glycine 0 N--CA 1.444 -0.775 0 N-CA-C 109.82 -1.312 . . . . 0.93 109.82 -171.092 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.647 ' HA ' ' HA ' ' A' ' 10' ' ' GLU . 30.7 m -84.35 94.02 8.38 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.435 -0.579 . . . . 1.42 109.435 172.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 -123.57 48.88 1.78 Allowed 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.358 -0.383 . . . . 1.57 110.765 -173.424 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 154.28 166.48 15.05 Favored Glycine 0 N--CA 1.446 -0.68 0 C-N-CA 120.534 -0.841 . . . . 0.77 112.16 179.564 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -73.58 -35.13 4.96 Favored 'Trans proline' 0 N--CA 1.466 -0.135 0 C-N-CA 122.456 2.104 . . . . 1.07 110.974 173.488 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 8.1 p-90 -97.17 -5.44 37.1 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.259 -0.882 . . . . 4.12 109.812 176.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 63.2 t30 -128.1 32.28 4.93 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.714 0.768 . . . . 1.6 110.096 -172.066 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.647 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 1.2 pt-20 -92.21 101.6 14.11 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.656 -0.702 . . . . 1.62 110.479 177.497 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -104.08 111.58 24.22 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.18 -0.464 . . . . 1.78 110.426 178.759 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -74.55 -14.03 60.75 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.912 -0.586 . . . . 2.4 111.387 -176.06 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.447 HD12 ' ND2' ' A' ' 17' ' ' ASN . 0.1 OUTLIER -73.51 -51.72 16.06 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 121.131 -0.227 . . . . 0.98 110.426 -174.459 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.35 -40.73 78.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.541 -0.3 . . . . 4.04 110.918 179.476 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.481 ' HB3' ' HB3' ' A' ' 37' ' ' CYS . 67.6 m -70.44 -34.62 72.67 Favored 'General case' 0 N--CA 1.444 -0.754 0 CA-C-N 116.538 -0.301 . . . . 1.47 111.323 178.245 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 49.6 t60 -60.12 -50.77 72.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.89 0.376 . . . . 0.83 110.093 172.016 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.447 ' ND2' HD12 ' A' ' 13' ' ' LEU . 95.0 m-20 -62.34 -39.91 94.66 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.702 -0.681 . . . . 0.58 110.494 179.356 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 4.3 t-80 -53.73 -67.07 0.29 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.684 -0.689 . . . . 1.06 111.058 174.086 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.4 ' SG ' ' HA3' ' A' ' 28' ' ' GLY . 80.7 m -57.33 -40.0 77.03 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.106 -0.952 . . . . 0.56 112.612 -173.268 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 51.9 pttt -72.68 -11.84 60.79 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.535 -0.466 . . . . 2.1 111.178 -177.433 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.7 m -89.84 -0.02 57.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.241 0.543 . . . . 1.53 110.021 176.471 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 61.2 mt -106.7 129.16 60.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.619 -0.719 . . . . 0.68 109.326 176.175 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 17.9 ttmm -63.3 129.9 42.22 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.942 -0.392 . . . . 2.51 109.942 -179.435 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 105.4 -13.14 47.75 Favored Glycine 0 N--CA 1.446 -0.656 0 C-N-CA 120.988 -0.625 . . . . 0.79 112.18 -177.002 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 50.8 m-85 -128.52 151.72 49.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.655 0.264 . . . . 0.77 110.71 -179.647 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.56 6.49 3.5 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.426 -0.352 . . . . 2.51 111.713 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.499 ' HA3' ' CE2' ' A' ' 40' ' ' TYR . . . -168.94 165.8 39.2 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.28 -0.962 . . . . 0.56 112.625 177.538 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.474 ' HA2' ' O ' ' A' ' 38' ' ' LYS . . . -161.87 146.18 11.77 Favored Glycine 0 N--CA 1.449 -0.487 0 N-CA-C 111.563 -0.615 . . . . 0.63 111.563 -178.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.568 ' O ' ' HA ' ' A' ' 37' ' ' CYS . 50.8 p90 -148.36 157.97 43.81 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 110.286 -0.264 . . . . 1.08 110.286 -177.158 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -70.98 103.11 2.58 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.263 -0.643 . . . . 1.1 109.263 178.114 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -95.71 -89.0 0.26 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.57 0.224 . . . . 1.49 111.53 -174.439 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -68.19 114.28 6.54 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-O 120.875 0.369 . . . . 2.35 110.955 -173.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 72.43 -0.21 42.97 Favored Glycine 0 N--CA 1.452 -0.246 0 CA-C-N 115.641 -0.709 . . . . 1.17 112.755 178.577 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 78.12 11.3 85.5 Favored Glycine 0 N--CA 1.447 -0.633 0 C-N-CA 120.767 -0.73 . . . . 0.87 111.703 -174.169 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -113.3 -43.98 3.29 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.037 0.446 . . . . 0.98 110.762 -179.038 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 86.8 t -78.31 104.2 6.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.926 -0.579 . . . . 0.73 110.556 -176.666 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.568 ' HA ' ' O ' ' A' ' 29' ' ' TYR . 85.6 m -77.08 107.16 9.24 Favored 'General case' 0 N--CA 1.44 -0.947 0 CA-C-N 115.935 -0.575 . . . . 1.48 110.784 179.515 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.499 ' HD2' ' N ' ' A' ' 39' ' ' CYS . 2.2 tmmm? -85.59 129.83 34.72 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.733 -0.667 . . . . 1.56 109.447 -178.444 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.499 ' N ' ' HD2' ' A' ' 38' ' ' LYS . 61.1 m -99.44 134.3 42.51 Favored 'General case' 0 C--N 1.31 -1.143 0 CA-C-N 115.0 -1.0 . . . . 0.59 110.131 -177.552 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.499 ' CE2' ' HA3' ' A' ' 27' ' ' GLY . 14.1 p90 . . . . . 0 C--O 1.246 0.881 0 CA-C-O 118.414 -0.803 . . . . 1.72 110.332 179.734 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.646 0 N-CA-C 111.731 -0.548 . . . . 2.06 111.731 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 55.1 m-85 -84.92 61.81 7.07 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.287 0.565 . . . . 1.06 109.933 -177.766 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.501 ' HA2' ' CZ ' ' A' ' 14' ' ' ARG . . . 90.77 -42.32 2.89 Favored Glycine 0 N--CA 1.444 -0.8 0 N-CA-C 110.935 -0.866 . . . . 0.93 110.935 -174.796 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 40.5 t -85.55 115.81 23.47 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-N 115.248 -0.476 . . . . 1.42 109.852 174.301 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 39.0 m-80 -125.21 38.37 4.2 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.882 -0.599 . . . . 1.57 109.843 -179.399 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.456 ' HA2' ' O ' ' A' ' 34' ' ' GLY . . . 92.67 175.59 41.47 Favored Glycine 0 N--CA 1.444 -0.821 0 C-N-CA 120.758 -0.734 . . . . 0.77 113.153 176.873 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -35.91 -37.45 0.23 Allowed 'Trans proline' 0 CA--C 1.53 0.288 1 C-N-CA 125.322 4.015 . . . . 1.07 114.984 -179.378 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -86.38 -5.08 59.25 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.985 -0.552 . . . . 4.12 111.919 -171.284 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 47.0 t30 -170.2 56.24 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.459 0.647 . . . . 1.6 109.592 -178.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.79 65.69 3.05 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.998 -0.546 . . . . 1.62 111.137 -177.512 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -73.23 106.87 5.25 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.944 -0.571 . . . . 1.78 109.932 178.305 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -72.08 -32.41 67.01 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.654 -0.703 . . . . 2.4 111.121 -176.682 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.416 HD12 HD21 ' A' ' 17' ' ' ASN . 0.1 OUTLIER -64.12 -49.65 71.37 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 116.442 -0.345 . . . . 0.98 111.042 -173.755 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.501 ' CZ ' ' HA2' ' A' ' 3' ' ' GLY . 83.2 mtp180 -53.15 -50.34 64.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.833 0.349 . . . . 4.04 111.465 178.739 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.6 t -63.79 -42.01 97.82 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.229 -0.441 . . . . 1.47 110.697 177.287 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.411 ' O ' ' HG3' ' A' ' 20' ' ' LYS . 66.4 t60 -54.81 -43.83 73.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.908 -0.587 . . . . 0.83 109.989 175.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.416 HD21 HD12 ' A' ' 13' ' ' LEU . 94.9 m-20 -64.91 -45.48 85.74 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.743 -0.662 . . . . 0.58 110.816 176.89 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 83.8 t60 -57.07 -48.1 79.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.856 -0.611 . . . . 1.06 111.085 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.527 ' O ' ' HB2' ' A' ' 25' ' ' TYR . 84.8 m -67.32 -30.53 70.39 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.173 -0.467 . . . . 0.56 111.368 -177.7 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.411 ' HG3' ' O ' ' A' ' 16' ' ' HIS . 59.3 mtpt -72.19 -32.36 66.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.741 0.305 . . . . 2.1 110.832 178.228 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 18.1 t -65.42 -27.24 68.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.241 0.543 . . . . 1.53 109.818 177.138 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 46.6 mt -88.71 116.6 30.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.775 -0.648 . . . . 0.68 109.364 174.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 35.6 ttmt -63.25 131.51 48.62 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-O 121.432 0.634 . . . . 2.51 110.867 -178.027 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 114.55 -14.94 20.11 Favored Glycine 0 N--CA 1.446 -0.684 0 CA-C-N 115.038 -0.983 . . . . 0.79 112.289 -177.311 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.527 ' HB2' ' O ' ' A' ' 19' ' ' CYS . 60.3 m-85 -123.44 154.48 39.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.917 0.389 . . . . 0.77 111.093 -178.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.403 ' HG2' ' OXT' ' A' ' 40' ' ' TYR . 0.0 OUTLIER -119.15 -8.27 10.18 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.789 -0.641 . . . . 2.51 111.31 -179.174 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 174.76 -176.41 46.98 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.493 -0.861 . . . . 0.56 112.174 178.584 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -139.23 175.88 21.35 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.845 -0.693 . . . . 0.63 112.095 179.444 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.476 ' O ' ' HA ' ' A' ' 37' ' ' CYS . 15.9 p90 -155.48 140.66 17.51 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.834 0.349 . . . . 1.08 110.418 176.631 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 8.3 m -73.39 99.04 2.85 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.942 -0.572 . . . . 1.1 110.184 177.799 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.416 ' HB2' ' CE2' ' A' ' 29' ' ' TYR . . . -92.33 -82.17 0.33 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.291 -0.413 . . . . 1.49 111.843 -173.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -59.52 106.97 0.52 Allowed 'General case' 0 C--O 1.235 0.309 0 CA-C-N 116.336 -0.393 . . . . 2.35 111.293 -174.177 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 67.64 6.12 41.11 Favored Glycine 0 N--CA 1.451 -0.308 0 CA-C-N 115.818 -0.628 . . . . 1.17 113.009 177.356 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.456 ' O ' ' HA2' ' A' ' 6' ' ' GLY . . . 76.93 8.5 86.73 Favored Glycine 0 N--CA 1.446 -0.667 0 C-N-CA 120.663 -0.78 . . . . 0.87 112.138 -175.192 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 71.4 m-85 -105.28 -43.34 5.03 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.058 0.456 . . . . 0.98 111.021 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 59.1 t -85.37 105.17 13.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.04 -0.527 . . . . 0.73 110.664 -173.536 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.476 ' HA ' ' O ' ' A' ' 29' ' ' TYR . 18.4 t -83.29 125.37 31.54 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.099 -0.5 . . . . 1.48 110.177 179.693 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.571 ' HD2' ' N ' ' A' ' 39' ' ' CYS . 0.0 OUTLIER -114.14 140.82 48.2 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.804 -0.635 . . . . 1.56 109.313 -179.275 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.571 ' N ' ' HD2' ' A' ' 38' ' ' LYS . 82.8 m -87.96 154.91 20.13 Favored 'General case' 0 C--N 1.311 -1.081 0 CA-C-N 115.763 -0.653 . . . . 0.59 111.273 -176.047 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.403 ' OXT' ' HG2' ' A' ' 26' ' ' LYS . 36.3 p90 . . . . . 0 C--O 1.25 1.127 0 CA-C-O 118.853 -0.594 . . . . 1.72 109.575 176.656 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.66 0 N-CA-C 112.057 -0.417 . . . . 2.06 112.057 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 46.7 m-85 -89.65 63.25 6.14 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.19 0.519 . . . . 1.06 109.919 -178.294 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 92.6 -40.89 2.8 Favored Glycine 0 N--CA 1.448 -0.512 0 N-CA-C 111.216 -0.754 . . . . 0.93 111.216 -176.396 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.413 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 34.6 t -68.45 102.76 1.5 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.035 0.445 . . . . 1.42 110.066 177.184 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 31.3 m-80 -111.26 13.38 21.71 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.917 -0.583 . . . . 1.57 110.675 -179.112 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 113.03 -171.33 13.82 Favored Glycine 0 N--CA 1.443 -0.869 0 C-N-CA 120.542 -0.837 . . . . 0.77 112.36 178.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_endo -57.62 -31.32 91.5 Favored 'Trans proline' 0 N--CA 1.473 0.302 0 C-N-CA 123.313 2.675 . . . . 1.07 113.606 -173.625 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 3.0 p-90 -75.32 -13.94 60.45 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.821 0.343 . . . . 4.12 111.313 -178.496 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -168.83 76.04 0.11 Allowed 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.652 -0.499 . . . . 1.6 109.652 -179.341 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.439 ' HB3' ' SG ' ' A' ' 30' ' ' CYS . 39.9 mt-10 -78.1 -25.34 47.47 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.989 0.423 . . . . 1.62 110.195 -179.327 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.7 t70 60.93 -165.5 0.22 Allowed 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.4 -0.818 . . . . 1.78 109.818 179.045 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -171.35 -45.84 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 109.644 -0.502 . . . . 2.4 109.644 -179.662 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.1 -48.37 78.85 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.47 -0.786 . . . . 0.98 110.247 -178.097 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -62.78 -45.01 94.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.122 -0.49 . . . . 4.04 111.525 -178.31 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.462 ' HB3' ' HB3' ' A' ' 37' ' ' CYS . 91.4 m -58.5 -45.2 89.25 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-O 121.471 0.653 . . . . 1.47 109.979 174.772 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.4 ' NE2' ' HD3' ' A' ' 20' ' ' LYS . 75.0 t60 -60.97 -46.21 91.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.171 -0.922 . . . . 0.83 111.089 178.046 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -56.13 -51.8 66.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.435 . . . . 0.58 111.627 -179.061 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 74.6 t60 -58.43 -43.26 88.65 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.121 -0.491 . . . . 1.06 111.404 -178.135 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 68.8 m -78.42 -28.88 46.88 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 112.077 0.399 . . . . 0.56 112.077 -175.246 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.4 ' HD3' ' NE2' ' A' ' 16' ' ' HIS . 18.3 pttp -81.55 -11.63 59.09 Favored 'General case' 0 N--CA 1.462 0.171 0 C-N-CA 120.546 -0.462 . . . . 2.1 110.698 -179.805 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 29.4 t -75.27 -21.71 58.33 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.343 -0.614 . . . . 1.53 109.343 174.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 28.8 mt -97.32 136.47 28.02 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.55 0 CA-C-N 115.328 -0.851 . . . . 0.68 109.375 179.191 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 56.1 tttt -83.41 132.49 34.97 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 121.297 0.57 . . . . 2.51 110.264 178.435 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 116.23 -16.28 15.18 Favored Glycine 0 N--CA 1.446 -0.653 0 CA-C-N 115.072 -0.967 . . . . 0.79 111.124 -174.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 76.7 m-85 -122.03 153.18 38.94 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 110.123 -0.325 . . . . 0.77 110.123 178.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.84 20.75 4.59 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.793 0.33 . . . . 2.51 111.615 -178.115 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 166.1 171.71 32.59 Favored Glycine 0 N--CA 1.444 -0.833 0 C-N-CA 120.109 -1.044 . . . . 0.56 113.138 176.414 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.576 ' HA2' ' O ' ' A' ' 38' ' ' LYS . . . -149.85 149.02 20.88 Favored Glycine 0 N--CA 1.447 -0.624 0 N-CA-C 111.611 -0.596 . . . . 0.63 111.611 179.449 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.9 p90 -156.42 154.51 30.58 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 110.269 -0.271 . . . . 1.08 110.269 -179.031 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.439 ' SG ' ' HB3' ' A' ' 10' ' ' GLU . 33.7 m -65.46 117.77 8.45 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 110.161 -0.311 . . . . 1.1 110.161 178.762 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -134.98 -73.71 0.47 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.463 -0.335 . . . . 1.49 111.466 -179.074 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -61.24 112.53 2.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.3 -0.409 . . . . 2.35 110.561 -178.066 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 74.03 -8.85 10.54 Favored Glycine 0 CA--C 1.52 0.382 0 C-N-CA 121.202 -0.523 . . . . 1.17 112.634 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 80.67 4.87 90.22 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 121.383 -0.436 . . . . 0.87 112.606 -177.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -123.69 -8.28 7.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.863 0.364 . . . . 0.98 111.421 -178.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 71.3 t -103.63 121.68 55.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.429 -0.35 . . . . 0.73 111.416 -177.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.462 ' HB3' ' HB3' ' A' ' 15' ' ' CYS . 45.1 m -69.63 95.35 0.85 Allowed 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 116.155 -0.475 . . . . 1.48 109.888 172.428 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.576 ' O ' ' HA2' ' A' ' 28' ' ' GLY . 25.9 ttmt -73.43 138.68 45.36 Favored 'General case' 0 CA--C 1.514 -0.43 0 N-CA-C 109.625 -0.509 . . . . 1.56 109.625 177.738 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 60.3 m -100.21 133.91 43.91 Favored 'General case' 0 C--N 1.315 -0.935 0 CA-C-N 115.982 -0.554 . . . . 0.59 110.03 -179.52 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 21.5 p90 . . . . . 0 C--O 1.247 0.933 0 CA-C-O 118.462 -0.78 . . . . 1.72 110.309 -179.654 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.81 0 N-CA-C 112.103 -0.399 . . . . 2.06 112.103 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -82.12 66.75 7.85 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.537 0.684 . . . . 1.06 109.799 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.415 ' C ' ' HB2' ' A' ' 11' ' ' ASP . . . 86.08 -49.31 4.09 Favored Glycine 0 N--CA 1.445 -0.75 0 CA-C-N 115.042 -0.981 . . . . 0.93 111.159 -176.667 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 49.8 t -70.02 127.54 33.21 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.428 -0.386 . . . . 1.42 110.165 178.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 46.0 m-80 -136.14 34.75 2.81 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.064 0.459 . . . . 1.57 110.664 179.591 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 119.36 170.34 14.53 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.768 -0.729 . . . . 0.77 112.491 177.822 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_exo -54.89 -37.69 92.87 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 123.265 2.644 . . . . 1.07 111.944 -178.549 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -64.91 -27.52 68.91 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 114.975 -1.011 . . . . 4.12 111.028 -178.353 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -139.65 67.13 1.39 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.328 0.585 . . . . 1.6 109.972 -177.474 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -85.19 80.57 9.16 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.604 -0.726 . . . . 1.62 110.419 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.415 ' HB2' ' C ' ' A' ' 3' ' ' GLY . 1.0 OUTLIER -65.9 90.15 0.13 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.361 0.601 . . . . 1.78 110.47 175.64 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -68.6 -38.11 80.34 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.087 -0.961 . . . . 2.4 111.225 -174.473 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.46 HD12 ' ND2' ' A' ' 17' ' ' ASN . 0.1 OUTLIER -72.55 -40.67 66.51 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 110.247 -0.279 . . . . 0.98 110.247 -175.565 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 25.6 mmm180 -55.06 -54.17 46.47 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.522 -0.308 . . . . 4.04 110.709 175.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.6 t -60.67 -42.57 97.34 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.0 -0.545 . . . . 1.47 110.324 176.713 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.435 ' HA ' ' H ' ' A' ' 28' ' ' GLY . 50.8 t60 -57.23 -47.27 81.77 Favored 'General case' 0 CA--C 1.528 0.132 0 CA-C-N 115.976 -0.556 . . . . 0.83 110.543 177.413 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.46 ' ND2' HD12 ' A' ' 13' ' ' LEU . 82.7 m-20 -63.34 -41.52 98.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.907 -0.588 . . . . 0.58 110.986 179.192 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 71.1 t60 -59.65 -44.68 93.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.934 -0.576 . . . . 1.06 110.784 178.79 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 76.7 m -78.24 -24.98 46.7 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.291 -0.413 . . . . 0.56 111.676 -177.242 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.401 ' HG3' ' O ' ' A' ' 16' ' ' HIS . 58.0 mtpt -66.43 -32.69 74.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.925 0.393 . . . . 2.1 110.018 173.374 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 23.1 t -66.57 -27.53 67.8 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.706 -0.679 . . . . 1.53 110.172 177.535 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 45.6 mt -86.2 111.45 21.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.109 -0.496 . . . . 0.68 110.045 178.392 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 22.3 ttmm -59.3 135.19 57.57 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.339 -0.392 . . . . 2.51 110.404 -179.569 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 111.31 -35.6 4.66 Favored Glycine 0 N--CA 1.446 -0.641 0 CA-C-N 115.69 -0.686 . . . . 0.79 111.584 -176.26 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 71.8 m-85 -103.02 161.5 13.71 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 110.251 -0.277 . . . . 0.77 110.251 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -124.97 4.82 7.99 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.718 0.294 . . . . 2.51 111.248 179.281 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 168.63 -178.39 42.11 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.477 -0.868 . . . . 0.56 112.265 177.582 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.435 ' H ' ' HA ' ' A' ' 16' ' ' HIS . . . -157.82 165.39 33.59 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.847 -0.692 . . . . 0.63 112.074 -178.617 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 7.9 p90 -148.82 167.23 26.2 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.866 0.365 . . . . 1.08 110.807 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 57.0 m -77.76 97.91 5.35 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.828 -0.624 . . . . 1.1 110.685 -179.296 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -100.24 -175.73 3.02 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.741 -0.663 . . . . 1.49 110.769 -178.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt 55.16 50.93 14.14 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 115.904 -0.589 . . . . 2.35 111.411 177.76 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 92.69 4.34 65.63 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.983 -0.627 . . . . 1.17 112.17 179.011 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 86.21 42.84 6.48 Favored Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 120.82 -0.705 . . . . 0.87 112.194 -178.763 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -134.03 -46.86 0.78 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.851 0.357 . . . . 0.98 111.525 -178.529 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 58.1 t -84.2 128.56 38.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.297 -0.411 . . . . 0.73 111.252 -174.113 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 41.1 t -76.66 93.31 3.61 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.264 -0.425 . . . . 1.48 109.872 178.344 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 32.8 ttpt -94.87 144.67 25.47 Favored 'General case' 0 CA--C 1.512 -0.492 0 N-CA-C 110.002 -0.37 . . . . 1.56 110.002 -179.608 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 60.8 m -107.8 142.53 37.69 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-N 115.949 -0.568 . . . . 0.59 111.147 -173.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 21.8 p90 . . . . . 0 C--O 1.25 1.111 0 CA-C-O 118.771 -0.633 . . . . 1.72 110.248 177.657 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.703 0 N-CA-C 111.643 -0.583 . . . . 2.06 111.643 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.433 ' O ' ' HB3' ' A' ' 14' ' ' ARG . 79.5 m-85 -116.96 18.8 14.6 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.005 0.431 . . . . 1.06 111.082 -179.811 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.432 ' HA3' ' CB ' ' A' ' 14' ' ' ARG . . . 151.4 -32.89 0.93 Allowed Glycine 0 N--CA 1.445 -0.703 0 CA-C-N 115.914 -0.584 . . . . 0.93 111.924 179.429 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 11.4 t -86.89 135.39 33.33 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.683 0.278 . . . . 1.42 110.41 -179.01 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -121.18 1.65 10.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.617 0.246 . . . . 1.57 111.429 -177.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 133.53 176.62 14.48 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.691 -0.766 . . . . 0.77 111.665 -177.203 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_endo -57.17 -29.15 82.44 Favored 'Trans proline' 0 C--O 1.233 0.24 0 C-N-CA 123.198 2.599 . . . . 1.07 112.54 -178.684 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 7.0 p-90 -69.67 -27.01 64.66 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.725 -0.671 . . . . 4.12 110.664 178.001 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -144.92 72.24 1.33 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.8 -0.636 . . . . 1.6 109.604 -174.78 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -91.56 109.2 20.5 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.441 -0.8 . . . . 1.62 110.677 -179.593 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -107.04 73.72 0.95 Allowed 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.791 -0.64 . . . . 1.78 109.997 176.707 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -60.69 -28.67 68.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.314 -0.857 . . . . 2.4 110.411 -178.472 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.461 HD12 ' ND2' ' A' ' 17' ' ' ASN . 0.1 OUTLIER -62.32 -47.25 85.09 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 116.138 -0.483 . . . . 0.98 109.918 178.785 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.433 ' HB3' ' O ' ' A' ' 2' ' ' PHE . 19.7 mmm180 -57.02 -48.93 77.32 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.092 -0.503 . . . . 4.04 111.109 176.386 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 38.4 m -56.08 -46.69 78.92 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-N 115.767 -0.651 . . . . 1.47 110.337 175.512 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.489 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 75.0 t60 -57.16 -51.13 70.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.919 -0.582 . . . . 0.83 110.925 176.583 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.461 ' ND2' HD12 ' A' ' 13' ' ' LEU . 91.5 m-20 -61.11 -32.63 72.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.388 -0.369 . . . . 0.58 111.448 -178.313 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 78.9 t60 -71.86 -46.77 56.78 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.845 0.355 . . . . 1.06 110.829 176.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 84.2 m -71.74 -29.6 64.7 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.216 -0.447 . . . . 0.56 111.813 -174.707 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.489 ' HG2' ' O ' ' A' ' 16' ' ' HIS . 21.5 ptmt -78.04 -4.62 48.12 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 121.021 0.439 . . . . 2.1 110.582 177.129 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 25.3 t -89.46 -3.95 58.18 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.248 -0.649 . . . . 1.53 109.248 173.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 50.8 mt -111.89 126.22 69.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.435 -0.802 . . . . 0.68 109.513 179.248 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -63.73 136.83 57.76 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.899 0.381 . . . . 2.51 110.779 -178.552 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 103.58 -38.0 3.46 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 121.076 -0.583 . . . . 0.79 112.1 179.24 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 83.0 m-85 -88.82 148.62 23.81 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.723 0.297 . . . . 0.77 110.338 -178.715 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -116.73 -20.88 9.33 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.299 -0.41 . . . . 2.51 111.718 -177.347 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.429 ' HA3' ' CZ ' ' A' ' 40' ' ' TYR . . . -153.92 174.89 32.37 Favored Glycine 0 N--CA 1.444 -0.773 0 C-N-CA 119.315 -1.421 . . . . 0.56 113.913 -177.404 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.532 ' HA2' ' O ' ' A' ' 38' ' ' LYS . . . -156.38 153.65 24.9 Favored Glycine 0 N--CA 1.444 -0.787 0 N-CA-C 111.106 -0.798 . . . . 0.63 111.106 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 6.8 p90 -164.45 166.41 20.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.83 0.315 . . . . 1.08 110.325 -177.502 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 62.9 m -78.09 100.93 6.74 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 121.297 0.57 . . . . 1.1 110.969 -179.696 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -117.83 -166.83 1.24 Allowed 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.53 -0.759 . . . . 1.49 109.633 177.74 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.424 ' HB3' ' HB ' ' A' ' 36' ' ' VAL . 26.2 tptp 57.06 52.25 9.38 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-O 121.719 0.771 . . . . 2.35 109.779 178.032 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 95.08 -11.2 69.6 Favored Glycine 0 N--CA 1.45 -0.427 0 CA-C-N 115.393 -0.821 . . . . 1.17 111.758 -177.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 95.73 33.0 6.59 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 121.067 -0.587 . . . . 0.87 111.917 -178.809 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -129.1 -38.87 1.59 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.129 0.49 . . . . 0.98 111.051 -178.13 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.424 ' HB ' ' HB3' ' A' ' 32' ' ' LYS . 95.8 t -88.61 130.01 38.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.867 -0.606 . . . . 0.73 111.252 -173.372 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 93.6 m -74.58 87.82 2.14 Favored 'General case' 0 N--CA 1.444 -0.745 0 CA-C-N 116.016 -0.538 . . . . 1.48 110.379 175.519 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.532 ' O ' ' HA2' ' A' ' 28' ' ' GLY . 37.7 ttmt -72.03 144.33 48.82 Favored 'General case' 0 CA--C 1.513 -0.446 0 N-CA-C 110.057 -0.349 . . . . 1.56 110.057 178.878 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 85.7 m -110.45 134.35 52.42 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 115.804 -0.635 . . . . 0.59 109.648 176.269 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.429 ' CZ ' ' HA3' ' A' ' 27' ' ' GLY . 42.0 p90 . . . . . 0 C--O 1.25 1.108 0 CA-C-O 118.563 -0.732 . . . . 1.72 109.778 178.39 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.719 0 N-CA-C 111.86 -0.496 . . . . 2.06 111.86 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.588 ' O ' ' HB3' ' A' ' 14' ' ' ARG . 22.3 m-85 65.04 8.3 4.64 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.459 0.703 . . . . 1.06 111.994 177.054 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.566 ' HA3' ' CB ' ' A' ' 14' ' ' ARG . . . 144.22 -13.69 2.09 Favored Glycine 0 N--CA 1.443 -0.893 0 N-CA-C 110.916 -0.874 . . . . 0.93 110.916 -175.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.401 ' HA ' ' HA ' ' A' ' 10' ' ' GLU . 88.0 m -92.69 126.53 37.82 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.922 0.391 . . . . 1.42 111.238 176.842 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 38.1 m-80 -127.64 29.74 5.43 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.464 0.65 . . . . 1.57 109.931 176.469 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.519 ' O ' ' HG3' ' A' ' 10' ' ' GLU . . . 117.7 164.05 13.08 Favored Glycine 0 C--O 1.223 -0.552 0 CA-C-N 115.248 -0.887 . . . . 0.77 112.078 178.49 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -64.83 -15.3 49.61 Favored 'Trans proline' 0 N--CA 1.472 0.22 0 C-N-CA 123.086 2.524 . . . . 1.07 112.317 -177.326 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 12.1 p-90 -89.64 -14.8 34.11 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.282 -0.872 . . . . 4.12 110.545 177.172 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -153.79 55.92 0.73 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.564 0.697 . . . . 1.6 111.021 -172.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.519 ' HG3' ' O ' ' A' ' 6' ' ' GLY . 0.0 OUTLIER -103.4 133.05 49.1 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.182 -0.463 . . . . 1.62 110.307 173.076 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.475 ' OD2' ' HG2' ' A' ' 14' ' ' ARG . 19.8 t70 -102.45 115.42 30.53 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.053 0.454 . . . . 1.78 110.884 -176.268 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -66.89 -32.39 73.61 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.428 -0.806 . . . . 2.4 111.033 -176.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.425 HD12 ' ND2' ' A' ' 17' ' ' ASN . 0.1 OUTLIER -68.83 -43.4 75.6 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.879 -0.6 . . . . 0.98 109.793 -177.721 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.588 ' HB3' ' O ' ' A' ' 2' ' ' PHE . 24.6 mmm180 -55.28 -53.6 54.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.911 -0.586 . . . . 4.04 111.105 176.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 66.2 m -54.46 -42.52 70.75 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 116.383 -0.371 . . . . 1.47 110.694 176.54 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 57.6 t60 -59.2 -52.89 63.75 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.403 -0.362 . . . . 0.83 110.751 175.594 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.425 ' ND2' HD12 ' A' ' 13' ' ' LEU . 92.7 m-20 -60.12 -41.06 91.82 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.14 -0.482 . . . . 0.58 111.316 -178.026 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 84.2 t60 -62.64 -48.05 81.06 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.842 -0.617 . . . . 1.06 111.127 179.302 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 74.7 m -77.98 -31.82 50.94 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 112.455 0.539 . . . . 0.56 112.455 -174.556 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 58.3 pttt -69.79 -20.38 63.47 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.962 0.41 . . . . 2.1 110.404 -179.442 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 29.2 t -85.3 -2.2 57.8 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 115.931 -0.577 . . . . 1.53 110.087 179.205 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 54.8 mt -109.68 115.31 49.31 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.508 0 CA-C-N 115.816 -0.629 . . . . 0.68 109.424 177.55 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 26.3 ttpp -55.68 133.63 50.83 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.922 0.391 . . . . 2.51 110.378 -179.24 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 109.63 -34.05 5.71 Favored Glycine 0 N--CA 1.448 -0.531 0 CA-C-N 115.758 -0.655 . . . . 0.79 111.884 -176.142 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -112.05 150.59 30.44 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.764 -0.458 . . . . 0.77 109.764 -179.392 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.402 ' HG3' ' HE2' ' A' ' 40' ' ' TYR . 0.0 OUTLIER -117.02 -6.0 11.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.328 0.585 . . . . 2.51 110.695 179.871 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 179.77 179.19 48.77 Favored Glycine 0 N--CA 1.445 -0.711 0 C-N-CA 120.957 -0.639 . . . . 0.56 111.558 -179.279 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -160.38 170.23 36.35 Favored Glycine 0 N--CA 1.445 -0.762 0 C-N-CA 120.364 -0.922 . . . . 0.63 112.419 -178.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 8.9 p90 -143.13 152.34 41.7 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 110.057 -0.349 . . . . 1.08 110.057 -179.226 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.5 t -80.48 120.38 24.4 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.128 0.489 . . . . 1.1 110.543 -177.064 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -136.66 -166.58 1.92 Allowed 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.626 -0.715 . . . . 1.49 110.247 -178.835 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 47.2 mmtm 53.89 58.71 4.82 Favored 'General case' 0 C--O 1.233 0.188 0 O-C-N 123.668 0.605 . . . . 2.35 111.226 179.426 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 94.58 -6.18 70.64 Favored Glycine 0 N--CA 1.447 -0.622 0 CA-C-N 115.53 -0.759 . . . . 1.17 111.689 -179.105 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 84.23 38.06 10.45 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.985 -0.626 . . . . 0.87 112.126 -178.576 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.432 ' CE2' ' HA2' ' A' ' 6' ' ' GLY . 96.9 m-85 -134.23 -21.93 1.8 Allowed 'General case' 0 C--O 1.233 0.215 0 N-CA-C 112.062 0.393 . . . . 0.98 112.062 178.796 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 61.6 t -98.54 113.64 33.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 C-N-CA 121.04 -0.264 . . . . 0.73 111.354 -175.073 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 51.7 m -71.36 78.19 0.75 Allowed 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 116.31 -0.404 . . . . 1.48 110.392 173.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 19.7 ttpp -72.84 144.82 47.32 Favored 'General case' 0 CA--C 1.514 -0.411 0 CA-C-O 120.901 0.381 . . . . 1.56 110.24 -177.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 59.0 m -104.4 160.98 14.47 Favored 'General case' 0 C--N 1.313 -1.007 0 CA-C-N 115.77 -0.65 . . . . 0.59 110.46 -175.305 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.402 ' HE2' ' HG3' ' A' ' 26' ' ' LYS . 4.4 p90 . . . . . 0 C--O 1.25 1.118 0 CA-C-O 118.746 -0.645 . . . . 1.72 110.557 176.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.718 0 N-CA-C 112.306 -0.317 . . . . 2.06 112.306 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 63.5 m-85 -128.76 63.94 1.45 Allowed 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.391 -0.596 . . . . 1.06 109.391 179.369 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.481 ' O ' ' HB2' ' A' ' 11' ' ' ASP . . . 93.5 46.46 3.23 Favored Glycine 0 N--CA 1.442 -0.921 0 N-CA-C 110.765 -0.934 . . . . 0.93 110.765 -172.315 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 45.3 t -161.57 95.01 0.99 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.136 -0.532 . . . . 1.42 109.895 -178.181 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 35.4 m-80 -108.72 33.83 4.0 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.167 0.508 . . . . 1.57 110.717 -177.642 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 109.78 171.94 20.41 Favored Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.894 -0.669 . . . . 0.77 112.717 176.215 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -53.96 -29.09 52.54 Favored 'Trans proline' 0 C--O 1.233 0.257 0 C-N-CA 123.536 2.824 . . . . 1.07 113.185 -176.497 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 25.5 p-90 -81.66 -19.36 41.84 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.287 -0.415 . . . . 4.12 110.965 -179.165 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -144.51 47.96 1.36 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.272 0.558 . . . . 1.6 110.585 -173.205 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -99.75 96.5 7.65 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.739 -0.664 . . . . 1.62 110.44 178.806 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.481 ' HB2' ' O ' ' A' ' 3' ' ' GLY . 10.1 m-20 -62.02 -45.05 95.29 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.543 -0.54 . . . . 1.78 109.543 175.697 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.2 t70 73.41 -37.45 0.38 Allowed 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 124.218 1.007 . . . . 2.4 111.236 173.321 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.452 ' H ' ' C ' ' A' ' 11' ' ' ASP . 0.1 OUTLIER -69.82 -42.29 73.84 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.219 -0.901 . . . . 0.98 109.427 -179.477 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 67.6 mtp180 -57.38 -46.36 83.48 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.157 -0.929 . . . . 4.04 111.312 178.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 88.3 m -60.06 -40.89 91.03 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.874 0.369 . . . . 1.47 110.935 174.233 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.402 ' NE2' ' HD3' ' A' ' 20' ' ' LYS . 69.3 t60 -59.8 -48.98 79.49 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.051 -0.522 . . . . 0.83 110.489 176.223 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -61.26 -43.13 99.38 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.921 -0.582 . . . . 0.58 110.725 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 81.9 t60 -57.06 -49.7 75.05 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.981 -0.554 . . . . 1.06 111.213 177.818 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.448 ' O ' ' HB2' ' A' ' 25' ' ' TYR . 54.2 m -84.83 -28.93 25.74 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 113.068 0.766 . . . . 0.56 113.068 -172.486 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.402 ' HD3' ' NE2' ' A' ' 16' ' ' HIS . 17.0 pttm -72.93 -12.65 61.03 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.118 -0.633 . . . . 2.1 110.149 179.651 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 28.4 t -87.79 -24.1 23.86 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.816 -0.629 . . . . 1.53 110.036 176.008 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 72.5 mt -79.01 121.26 31.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 109.592 -0.522 . . . . 0.68 109.592 178.601 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 23.6 ttpp -56.84 128.5 37.0 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.222 -0.445 . . . . 2.51 110.354 -178.806 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 106.85 -20.06 34.5 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.782 -0.723 . . . . 0.79 112.405 -177.21 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.448 ' HB2' ' O ' ' A' ' 19' ' ' CYS . 70.6 m-85 -117.27 155.44 29.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.891 0.377 . . . . 0.77 110.626 178.108 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.34 -3.58 2.41 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.012 -0.54 . . . . 2.51 111.285 178.144 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.49 ' HA3' ' CZ ' ' A' ' 40' ' ' TYR . . . -152.19 165.87 30.91 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.321 -0.942 . . . . 0.56 113.047 179.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.632 ' HA2' ' O ' ' A' ' 38' ' ' LYS . . . -167.94 111.0 0.42 Allowed Glycine 0 C--O 1.227 -0.292 0 N-CA-C 111.215 -0.754 . . . . 0.63 111.215 178.494 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.486 ' O ' ' HA ' ' A' ' 37' ' ' CYS . 6.1 p90 -135.55 151.4 50.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 117.129 0.464 . . . . 1.08 111.165 -171.326 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 19.0 m -74.29 102.36 4.33 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.883 -0.414 . . . . 1.1 109.883 179.568 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -98.13 -77.57 0.5 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.011 0.434 . . . . 1.49 111.066 -177.427 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp -67.69 116.36 8.31 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.964 -0.562 . . . . 2.35 111.491 -175.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 69.63 1.55 31.07 Favored Glycine 0 C--N 1.33 0.231 0 CA-C-N 115.496 -0.774 . . . . 1.17 113.404 175.07 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 71.88 19.14 78.03 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.544 -0.836 . . . . 0.87 111.567 -173.705 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 58.5 m-85 -120.31 -37.73 3.01 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.639 0.257 . . . . 0.98 111.4 179.39 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 61.4 t -83.25 104.88 12.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 120.843 0.354 . . . . 0.73 111.322 -175.408 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.486 ' HA ' ' O ' ' A' ' 29' ' ' TYR . 95.5 m -77.42 92.97 4.02 Favored 'General case' 0 N--CA 1.443 -0.778 0 CA-C-N 115.861 -0.609 . . . . 1.48 110.224 174.795 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.632 ' O ' ' HA2' ' A' ' 28' ' ' GLY . 36.7 ttpt -76.3 141.66 41.55 Favored 'General case' 0 CA--C 1.508 -0.669 0 N-CA-C 109.367 -0.605 . . . . 1.56 109.367 178.165 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 84.1 m -123.35 133.85 54.08 Favored 'General case' 0 C--N 1.308 -1.225 0 CA-C-N 115.933 -0.576 . . . . 0.59 110.445 -175.77 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.49 ' CZ ' ' HA3' ' A' ' 27' ' ' GLY . 23.0 p90 . . . . . 0 C--O 1.248 0.998 0 CA-C-O 118.029 -0.986 . . . . 1.72 109.982 -174.69 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.732 0 N-CA-C 111.759 -0.536 . . . . 2.06 111.759 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -103.16 27.0 7.59 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.87 0.367 . . . . 1.06 110.736 -177.515 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.405 ' HA3' ' CB ' ' A' ' 14' ' ' ARG . . . 67.4 33.69 82.73 Favored Glycine 0 N--CA 1.449 -0.48 0 CA-C-N 115.795 -0.639 . . . . 0.93 111.95 -178.414 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.474 ' HA ' ' HA ' ' A' ' 10' ' ' GLU . 24.9 t -122.13 -89.95 0.59 Allowed 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.918 -0.401 . . . . 1.42 109.918 -179.314 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 58.67 23.71 11.32 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 112.981 0.734 . . . . 1.57 112.981 174.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 111.04 159.13 15.84 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.527 -0.844 . . . . 0.77 113.216 175.805 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.526 ' HA ' ' CG ' ' A' ' 10' ' ' GLU . 16.6 Cg_endo -59.72 -25.93 80.61 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 123.537 2.825 . . . . 1.07 113.252 -173.685 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 17.1 p-90 -72.48 -15.64 61.8 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.67 -0.695 . . . . 4.12 111.678 -178.781 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -134.39 -18.98 1.94 Allowed 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.384 0.513 . . . . 1.6 112.384 -170.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.526 ' CG ' ' HA ' ' A' ' 7' ' ' PRO . 0.0 OUTLIER -60.85 145.1 51.26 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 113.262 0.838 . . . . 1.62 113.262 -171.807 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.469 ' OD2' ' HD3' ' A' ' 14' ' ' ARG . 20.5 t70 -130.5 130.82 44.66 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 114.557 -1.202 . . . . 1.78 109.474 176.091 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 34.4 m-20 -67.16 -25.06 65.97 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.676 -0.693 . . . . 2.4 111.861 -174.205 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.466 HD12 ' ND2' ' A' ' 17' ' ' ASN . 0.1 OUTLIER -75.66 -47.85 24.6 Favored 'General case' 0 N--CA 1.449 -0.519 0 N-CA-C 110.435 -0.209 . . . . 0.98 110.435 -175.611 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.469 ' HD3' ' OD2' ' A' ' 11' ' ' ASP . 9.2 mpt_? -59.43 -48.23 82.44 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 121.212 -0.195 . . . . 4.04 111.323 179.136 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 38.8 t -60.88 -43.62 98.19 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.953 -0.388 . . . . 1.47 109.953 177.594 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 75.0 t60 -58.05 -50.28 73.99 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.254 -0.43 . . . . 0.83 111.033 175.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.466 ' ND2' HD12 ' A' ' 13' ' ' LEU . 91.5 m-20 -61.03 -45.36 95.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.169 -0.469 . . . . 0.58 111.097 -178.188 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 49.2 t60 -57.78 -49.95 74.89 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.223 -0.444 . . . . 1.06 110.795 178.151 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 89.5 m -68.71 -39.44 80.46 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.018 -0.537 . . . . 0.56 112.237 -174.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 44.4 pttt -73.84 -12.19 60.61 Favored 'General case' 0 N--CA 1.463 0.195 0 C-N-CA 120.354 -0.538 . . . . 2.1 110.937 -179.506 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 55.6 m -81.15 -11.21 59.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.379 0.609 . . . . 1.53 109.978 175.038 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 62.6 mt -99.29 121.34 49.79 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.531 0 CA-C-N 115.441 -0.8 . . . . 0.68 109.184 177.283 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.5 ttmp? -63.53 131.15 47.18 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-O 121.342 0.592 . . . . 2.51 110.571 -177.785 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 109.9 -20.04 27.18 Favored Glycine 0 N--CA 1.445 -0.745 0 CA-C-N 115.059 -0.973 . . . . 0.79 111.975 -175.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 64.4 m-85 -114.91 158.26 22.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.574 0.226 . . . . 0.77 110.435 179.025 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -127.09 -19.49 4.36 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.499 -0.319 . . . . 2.51 111.853 179.719 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -156.05 -179.46 31.12 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.304 -0.95 . . . . 0.56 112.593 179.384 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -159.29 152.67 23.69 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.674 -0.774 . . . . 0.63 112.666 -179.228 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 15.6 p90 -149.54 146.65 27.47 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 110.05 -0.352 . . . . 1.08 110.05 177.284 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.429 ' O ' ' HA2' ' A' ' 34' ' ' GLY . 81.5 m -79.21 101.12 7.81 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.042 0.448 . . . . 1.1 110.71 178.447 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -104.5 -168.3 1.47 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.325 -0.852 . . . . 1.49 110.297 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt 52.61 60.24 3.94 Favored 'General case' 0 C--O 1.234 0.245 0 O-C-N 123.66 0.6 . . . . 2.35 110.823 179.644 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 90.46 -10.01 75.79 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.96 -0.638 . . . . 1.17 111.812 -179.043 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.429 ' HA2' ' O ' ' A' ' 30' ' ' CYS . . . 93.36 14.5 53.65 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 121.038 -0.601 . . . . 0.87 112.17 -179.128 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -103.74 -27.68 12.11 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.811 0.338 . . . . 0.98 111.201 -178.076 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.418 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 45.7 t -99.44 111.17 28.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.457 -0.338 . . . . 0.73 111.362 -172.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 44.5 t -68.06 95.19 0.54 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.331 -0.618 . . . . 1.48 109.331 174.419 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.573 ' HD2' ' N ' ' A' ' 39' ' ' CYS . 1.6 tmmm? -95.05 134.31 37.88 Favored 'General case' 0 CA--C 1.513 -0.454 0 CA-C-O 121.244 0.545 . . . . 1.56 109.616 -177.388 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.573 ' N ' ' HD2' ' A' ' 38' ' ' LYS . 65.4 m -101.12 140.68 35.08 Favored 'General case' 0 C--N 1.308 -1.226 0 CA-C-N 114.978 -1.01 . . . . 0.59 111.064 -174.209 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 37.7 p90 . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.437 -0.792 . . . . 1.72 110.117 176.338 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.808 0 N-CA-C 112.505 -0.238 . . . . 2.06 112.505 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 56.96 37.95 29.09 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 123.093 0.557 . . . . 1.06 110.717 -178.22 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.444 ' HA3' ' CB ' ' A' ' 14' ' ' ARG . . . 97.72 -28.14 15.71 Favored Glycine 0 N--CA 1.445 -0.716 0 CA-C-N 115.729 -0.669 . . . . 0.93 112.491 -179.234 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.498 ' HA ' ' HA ' ' A' ' 10' ' ' GLU . 42.6 t -93.98 113.49 25.49 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 120.98 0.419 . . . . 1.42 110.655 -178.511 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.473 ' HB2' ' ND2' ' A' ' 9' ' ' ASN . 56.9 m-80 -129.99 38.63 3.78 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.044 -0.526 . . . . 1.57 110.39 178.768 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.496 ' O ' ' HG3' ' A' ' 10' ' ' GLU . . . 147.36 171.72 16.78 Favored Glycine 0 N--CA 1.447 -0.615 0 CA-C-N 115.871 -0.604 . . . . 0.77 112.34 176.687 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.426 ' HD3' ' CE2' ' A' ' 35' ' ' PHE . 72.0 Cg_endo -76.47 -17.01 16.74 Favored 'Trans proline' 0 C--N 1.335 -0.164 0 C-N-CA 123.37 2.713 . . . . 1.07 111.816 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 4.5 p-90 -116.78 6.69 13.24 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.293 -0.867 . . . . 4.12 109.847 177.602 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.473 ' ND2' ' HB2' ' A' ' 5' ' ' ASN . 56.8 t30 -139.33 45.92 1.94 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 122.059 0.933 . . . . 1.6 108.734 -177.784 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.498 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 0.0 OUTLIER -103.9 94.59 5.5 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-N 114.758 -1.11 . . . . 1.62 110.771 -178.597 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.456 ' HB3' ' HD2' ' A' ' 14' ' ' ARG . 1.0 OUTLIER -69.69 97.66 1.09 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.047 -0.524 . . . . 1.78 111.105 178.33 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -57.73 -40.08 78.8 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.418 -0.81 . . . . 2.4 110.835 179.38 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.434 HD12 ' ND2' ' A' ' 17' ' ' ASN . 0.1 OUTLIER -67.41 -47.13 71.15 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 116.12 -0.491 . . . . 0.98 110.8 -175.132 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.456 ' HD2' ' HB3' ' A' ' 11' ' ' ASP . 0.0 OUTLIER -56.12 -43.36 78.09 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.608 -0.269 . . . . 4.04 110.96 177.351 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 40.9 t -66.45 -40.65 89.54 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.921 -0.4 . . . . 1.47 109.921 178.175 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 65.0 t60 -55.82 -51.83 66.12 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 116.05 -0.523 . . . . 0.83 110.585 173.59 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.434 ' ND2' HD12 ' A' ' 13' ' ' LEU . 93.9 m-20 -62.08 -38.53 89.19 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.786 -0.643 . . . . 0.58 111.14 -178.218 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 57.5 t60 -64.15 -50.46 68.1 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.288 -0.415 . . . . 1.06 111.082 177.381 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 69.2 m -73.32 -27.41 61.51 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 112.797 0.665 . . . . 0.56 112.797 -173.825 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.4 ' HG2' ' HA ' ' A' ' 17' ' ' ASN . 18.1 pttp -76.18 -11.05 59.86 Favored 'General case' 0 N--CA 1.464 0.238 0 C-N-CA 120.065 -0.654 . . . . 2.1 110.141 177.7 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 53.4 m -84.96 -15.48 44.21 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.994 -0.548 . . . . 1.53 109.835 174.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 48.9 mt -91.41 127.12 43.96 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.379 0 CA-C-N 115.743 -0.662 . . . . 0.68 109.345 177.028 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 21.6 ttmm -65.01 131.33 46.29 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.344 0.593 . . . . 2.51 111.103 -177.538 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 105.38 -18.2 42.17 Favored Glycine 0 N--CA 1.448 -0.557 0 CA-C-N 115.142 -0.936 . . . . 0.79 112.317 -178.546 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -117.54 160.24 21.56 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.629 0.252 . . . . 0.77 110.416 179.713 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.28 4.15 8.48 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.015 0.436 . . . . 2.51 110.929 178.634 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 164.35 -174.7 40.43 Favored Glycine 0 N--CA 1.445 -0.721 0 C-N-CA 120.638 -0.791 . . . . 0.56 111.616 -179.613 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -165.56 172.46 41.08 Favored Glycine 0 N--CA 1.445 -0.739 0 C-N-CA 120.635 -0.793 . . . . 0.63 112.759 -175.5 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 11.6 p90 -147.65 151.68 36.59 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.14 -0.689 . . . . 1.08 109.14 -177.851 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 4.8 t -80.91 123.26 28.15 Favored 'General case' 0 C--N 1.32 -0.708 0 C-N-CA 120.294 -0.562 . . . . 1.1 109.802 179.724 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -133.66 -161.37 1.14 Allowed 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.605 -0.725 . . . . 1.49 110.191 -176.373 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.5 mptp? 55.2 59.12 4.16 Favored 'General case' 0 N--CA 1.465 0.292 0 O-C-N 123.424 0.453 . . . . 2.35 110.405 -179.206 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 90.01 -15.05 60.38 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.877 -0.678 . . . . 1.17 111.777 -177.031 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 95.75 38.77 4.57 Favored Glycine 0 N--CA 1.445 -0.724 0 C-N-CA 121.139 -0.553 . . . . 0.87 111.794 -178.603 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.426 ' CE2' ' HD3' ' A' ' 7' ' ' PRO . 93.3 m-85 -137.2 -11.26 1.68 Allowed 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 111.871 0.323 . . . . 0.98 111.871 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 59.9 t -111.5 115.47 49.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 C-N-CA 121.174 -0.21 . . . . 0.73 111.169 -177.145 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 37.6 t -64.89 106.5 1.24 Allowed 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.629 -0.508 . . . . 1.48 109.629 174.298 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.592 ' HD3' ' O ' ' A' ' 39' ' ' CYS . 14.1 tmtt? -113.42 131.95 55.82 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.37 0.605 . . . . 1.56 110.4 -175.187 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.592 ' O ' ' HD3' ' A' ' 38' ' ' LYS . 27.4 m -88.66 152.07 22.05 Favored 'General case' 0 C--N 1.309 -1.181 0 CA-C-N 115.137 -0.938 . . . . 0.59 110.038 -175.682 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 44.9 m-85 . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.483 -0.77 . . . . 1.72 111.859 -176.132 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.902 0 N-CA-C 112.373 -0.291 . . . . 2.06 112.373 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -76.89 -6.68 53.44 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 120.89 0.376 . . . . 1.06 111.827 -177.704 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -162.92 -56.76 0.02 OUTLIER Glycine 0 N--CA 1.446 -0.662 0 N-CA-C 111.11 -0.796 . . . . 0.93 111.11 -179.679 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 36.7 m -70.17 124.18 23.48 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.325 -0.62 . . . . 1.42 109.325 173.587 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -102.64 2.37 35.87 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.976 0.417 . . . . 1.57 109.992 -179.588 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 128.76 -179.73 16.45 Favored Glycine 0 N--CA 1.446 -0.698 0 N-CA-C 111.209 -0.757 . . . . 0.77 111.209 -177.176 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 14.8 Cg_endo -56.5 -26.54 64.17 Favored 'Trans proline' 0 N--CA 1.475 0.386 0 C-N-CA 123.357 2.705 . . . . 1.07 113.022 -177.225 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 3.7 p-90 -74.87 -17.31 60.61 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.818 -0.628 . . . . 4.12 111.379 179.211 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -161.81 79.03 0.55 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.214 0.531 . . . . 1.6 109.942 -176.501 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.59 ' HB3' ' SG ' ' A' ' 30' ' ' CYS . 34.1 mt-10 -96.68 72.2 2.64 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.077 -0.51 . . . . 1.62 110.243 -176.457 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -71.98 102.42 2.94 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.978 -0.555 . . . . 1.78 110.783 -179.484 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -69.18 -31.21 69.68 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.305 -0.862 . . . . 2.4 111.03 -176.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.423 HD12 HD21 ' A' ' 17' ' ' ASN . 0.2 OUTLIER -63.28 -58.47 7.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.264 -0.426 . . . . 0.98 111.654 -172.07 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.36 -41.92 73.2 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.554 0.576 . . . . 4.04 112.554 -178.302 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.414 ' HB3' ' HB3' ' A' ' 37' ' ' CYS . 89.8 m -65.29 -43.03 92.44 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-O 121.109 0.48 . . . . 1.47 110.213 175.127 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.515 ' O ' ' HG3' ' A' ' 20' ' ' LYS . 57.9 t60 -57.77 -39.7 78.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.365 -0.834 . . . . 0.83 110.394 177.458 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.423 HD21 HD12 ' A' ' 13' ' ' LEU . 95.1 m-20 -66.6 -51.06 60.54 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.171 -0.468 . . . . 0.58 111.477 178.565 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 85.8 t60 -56.94 -42.8 80.7 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.06 -0.518 . . . . 1.06 111.154 -176.539 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.426 ' O ' ' HB2' ' A' ' 25' ' ' TYR . 75.8 m -69.94 -30.26 67.59 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.185 -0.461 . . . . 0.56 111.427 -178.133 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.515 ' HG3' ' O ' ' A' ' 16' ' ' HIS . 48.3 mtmt -73.41 -31.17 63.72 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.015 0.436 . . . . 2.1 110.27 175.76 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 37.4 t -63.94 -25.51 68.18 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.754 -0.657 . . . . 1.53 110.097 176.869 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 62.1 mt -93.03 127.75 44.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.988 -0.551 . . . . 0.68 109.874 178.103 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 24.2 ttpp -61.61 132.41 53.22 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.219 -0.446 . . . . 2.51 110.308 178.652 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 112.21 -39.91 2.71 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 121.036 -0.602 . . . . 0.79 112.809 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.426 ' HB2' ' O ' ' A' ' 19' ' ' CYS . 47.0 m-85 -100.93 158.32 16.08 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.757 0.313 . . . . 0.77 110.683 -176.259 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.72 6.06 5.11 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.395 -0.366 . . . . 2.51 111.463 -178.626 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 175.48 173.51 41.28 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.654 -0.784 . . . . 0.56 112.037 177.19 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.406 ' HA3' ' SG ' ' A' ' 19' ' ' CYS . . . -158.03 126.65 1.75 Allowed Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.877 -0.678 . . . . 0.63 112.037 -178.699 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 48.1 p90 -105.33 168.36 9.13 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 110.176 -0.305 . . . . 1.08 110.176 -178.836 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.59 ' SG ' ' HB3' ' A' ' 10' ' ' GLU . 1.2 m -83.72 98.6 9.76 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.145 0.497 . . . . 1.1 110.532 -177.061 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -103.53 -177.13 3.28 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.869 -0.605 . . . . 1.49 110.332 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.2 mptp? 56.09 45.24 23.91 Favored 'General case' 0 C--N 1.332 -0.184 0 O-C-N 123.417 0.448 . . . . 2.35 110.836 178.496 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 97.02 -4.39 62.84 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.8 -0.714 . . . . 1.17 112.022 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.83 19.21 22.8 Favored Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 120.772 -0.728 . . . . 0.87 111.999 -179.134 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -108.91 -39.75 5.23 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.843 0.354 . . . . 0.98 111.47 -176.546 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 93.2 t -92.86 124.7 45.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.141 -0.481 . . . . 0.73 111.22 -173.055 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.414 ' HB3' ' HB3' ' A' ' 15' ' ' CYS . 35.9 m -70.59 91.42 0.79 Allowed 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 116.028 -0.533 . . . . 1.48 110.179 176.02 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.404 ' O ' ' HA2' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -85.02 119.32 25.29 Favored 'General case' 0 CA--C 1.509 -0.634 0 CA-C-O 121.66 0.743 . . . . 1.56 109.523 179.886 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 69.0 m -84.22 150.03 25.74 Favored 'General case' 0 C--N 1.3 -1.557 0 CA-C-N 114.178 -1.374 . . . . 0.59 111.222 -172.644 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 18.6 p90 . . . . . 0 C--O 1.248 1.0 0 CA-C-N 115.637 -0.71 . . . . 1.72 109.794 178.657 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.843 0 N-CA-C 112.061 -0.415 . . . . 2.06 112.061 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -77.16 -9.74 58.96 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.32 0.581 . . . . 1.06 110.859 -178.019 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -172.81 -53.94 0.05 OUTLIER Glycine 0 N--CA 1.442 -0.963 0 N-CA-C 110.714 -0.954 . . . . 0.93 110.714 179.022 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 31.7 m -79.6 132.85 36.37 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.628 -0.508 . . . . 1.42 109.628 174.783 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 44.7 m-80 -135.34 45.09 2.51 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.096 0.474 . . . . 1.57 110.182 -178.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 122.84 164.78 12.21 Favored Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.776 -0.726 . . . . 0.77 112.084 177.768 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_endo -64.44 -22.53 65.6 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.969 2.446 . . . . 1.07 112.72 -176.242 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 10.7 p-90 -86.9 -9.36 55.89 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.798 -0.637 . . . . 4.12 110.954 -179.421 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 28.7 t30 -156.11 81.85 1.0 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.117 -0.492 . . . . 1.6 110.043 -176.087 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.684 ' HB3' ' SG ' ' A' ' 30' ' ' CYS . 39.3 mt-10 -103.56 -78.93 0.55 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.2 -0.455 . . . . 1.62 110.645 -179.771 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.544 ' OD2' ' HG2' ' A' ' 14' ' ' ARG . 16.6 t70 65.46 98.49 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.616 0.722 . . . . 1.78 110.631 -173.746 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -63.1 -25.84 68.55 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.009 -0.996 . . . . 2.4 111.255 -177.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.522 HD12 ' ND2' ' A' ' 17' ' ' ASN . 0.0 OUTLIER -63.6 -45.9 88.25 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 116.382 -0.372 . . . . 0.98 110.667 -174.455 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.544 ' HG2' ' OD2' ' A' ' 11' ' ' ASP . 11.7 mmm180 -53.35 -60.03 3.82 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 121.173 0.511 . . . . 4.04 111.317 179.772 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 88.9 m -66.37 -30.54 70.94 Favored 'General case' 0 N--CA 1.442 -0.834 0 CA-C-N 115.92 -0.582 . . . . 1.47 111.581 -177.376 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.447 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 59.0 t60 -61.43 -52.34 64.99 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 110.016 -0.364 . . . . 0.83 110.016 171.159 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.522 ' ND2' HD12 ' A' ' 13' ' ' LEU . 50.1 m-20 -57.19 -35.36 69.51 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-N 115.891 -0.595 . . . . 0.58 110.893 179.522 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 7.2 t-160 -60.21 -68.76 0.26 Allowed 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.742 -0.663 . . . . 1.06 110.688 173.378 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.45 ' SG ' ' HA3' ' A' ' 28' ' ' GLY . 61.8 m -61.24 -35.82 78.29 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.198 -0.91 . . . . 0.56 113.28 -171.726 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.447 ' HG2' ' O ' ' A' ' 16' ' ' HIS . 21.8 ptmt -65.64 -20.25 66.23 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 120.848 0.356 . . . . 2.1 111.18 -177.785 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 17.3 m -82.28 -11.62 58.53 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.15 0.5 . . . . 1.53 110.454 -179.675 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 60.8 mt -92.98 127.34 45.14 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.528 0 N-CA-C 109.483 -0.562 . . . . 0.68 109.483 178.522 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 32.3 ttpt -57.85 127.34 31.59 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.129 -0.487 . . . . 2.51 110.184 179.046 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 106.55 -32.68 7.06 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.933 -0.651 . . . . 0.79 112.705 -178.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 47.1 m-85 -105.86 155.18 19.57 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.128 0.49 . . . . 0.77 110.991 -176.782 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -127.61 -20.6 3.93 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.826 -0.624 . . . . 2.51 111.645 -178.439 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.429 ' HA3' ' CZ ' ' A' ' 40' ' ' TYR . . . -150.37 170.35 30.31 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 119.839 -1.172 . . . . 0.56 113.041 -178.865 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.529 ' HA2' ' O ' ' A' ' 38' ' ' LYS . . . -156.18 135.06 4.35 Favored Glycine 0 N--CA 1.448 -0.548 0 N-CA-C 111.154 -0.778 . . . . 0.63 111.154 178.76 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.587 ' O ' ' HA ' ' A' ' 37' ' ' CYS . 33.9 p90 -130.61 144.72 51.61 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 117.309 0.554 . . . . 1.08 111.763 -174.209 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.684 ' SG ' ' HB3' ' A' ' 10' ' ' GLU . 0.0 OUTLIER -74.17 102.7 4.35 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 115.552 -0.749 . . . . 1.1 109.922 178.369 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -99.7 -79.59 0.49 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.128 -0.487 . . . . 1.49 111.488 -174.678 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -61.7 98.76 0.1 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.999 -0.546 . . . . 2.35 111.605 -174.601 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 71.66 6.88 63.83 Favored Glycine 0 N--CA 1.451 -0.313 0 CA-C-N 115.772 -0.649 . . . . 1.17 112.908 177.183 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 76.78 8.52 86.46 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.665 -0.778 . . . . 0.87 111.777 -174.783 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -101.45 -46.96 4.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.075 0.464 . . . . 0.98 111.103 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 48.6 t -87.65 109.82 19.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.124 -0.489 . . . . 0.73 111.04 -174.69 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.587 ' HA ' ' O ' ' A' ' 29' ' ' TYR . 94.9 m -87.83 117.55 26.75 Favored 'General case' 0 N--CA 1.442 -0.86 0 CA-C-N 115.96 -0.564 . . . . 1.48 110.725 177.47 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.529 ' O ' ' HA2' ' A' ' 28' ' ' GLY . 24.9 ttpp -97.84 139.12 34.16 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.123 -0.49 . . . . 1.56 110.345 179.317 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 65.7 m -96.59 140.45 31.18 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.607 -0.724 . . . . 0.59 110.452 -175.467 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.429 ' CZ ' ' HA3' ' A' ' 27' ' ' GLY . 46.8 p90 . . . . . 0 C--O 1.251 1.172 0 CA-C-O 118.273 -0.87 . . . . 1.72 109.504 176.037 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.845 0 N-CA-C 112.166 -0.373 . . . . 2.06 112.166 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 -96.6 65.37 2.23 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.202 0.525 . . . . 1.06 110.392 -176.356 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 88.19 7.51 73.22 Favored Glycine 0 N--CA 1.447 -0.622 0 N-CA-C 111.18 -0.768 . . . . 0.93 111.18 -175.371 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.465 ' SG ' ' HB2' ' A' ' 37' ' ' CYS . 8.7 m -133.05 88.13 2.47 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.825 -0.435 . . . . 1.42 109.825 -178.039 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 -124.82 22.11 8.19 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.245 -0.434 . . . . 1.57 110.469 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.402 ' HA2' ' CE2' ' A' ' 35' ' ' PHE . . . 126.14 168.99 12.74 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.503 -0.856 . . . . 0.77 112.861 178.234 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_exo -43.98 -38.97 10.75 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 124.046 3.164 . . . . 1.07 113.407 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -89.07 3.1 52.9 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.555 -0.748 . . . . 4.12 111.91 -174.332 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -131.18 -29.73 1.8 Allowed 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 111.763 0.282 . . . . 1.6 111.763 -177.339 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -49.14 126.7 13.17 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-O 121.243 0.544 . . . . 1.62 111.893 -177.82 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.445 ' OD2' ' HG2' ' A' ' 14' ' ' ARG . 25.0 t70 -138.34 124.53 20.33 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.348 -0.842 . . . . 1.78 109.792 178.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -66.25 -31.33 72.08 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.496 -0.774 . . . . 2.4 111.089 -175.655 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -76.39 -44.26 36.99 Favored 'General case' 0 N--CA 1.445 -0.706 0 CA-C-N 116.121 -0.491 . . . . 0.98 110.701 -177.071 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.445 ' HG2' ' OD2' ' A' ' 11' ' ' ASP . 24.9 mmm180 -54.96 -55.51 29.91 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 116.63 -0.259 . . . . 4.04 111.57 -179.848 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 46.6 t -60.14 -40.28 89.27 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.132 -0.485 . . . . 1.47 110.245 178.315 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.5 t60 -56.49 -49.2 75.36 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.208 -0.451 . . . . 0.83 110.538 174.584 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -58.3 -46.43 86.13 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.852 -0.613 . . . . 0.58 111.197 -179.566 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -62.2 -50.52 71.46 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.242 -0.435 . . . . 1.06 110.984 -179.696 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 93.3 m -71.04 -36.19 72.26 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 112.591 0.589 . . . . 0.56 112.591 -173.75 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.8 pttp -71.01 -15.28 62.55 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.876 0.369 . . . . 2.1 110.741 -178.493 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 23.5 m -86.81 -5.73 59.02 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.025 -0.534 . . . . 1.53 110.478 178.255 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 55.4 mt -101.24 124.56 55.01 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.481 0 CA-C-N 115.866 -0.606 . . . . 0.68 109.789 178.768 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 67.3 tttt -59.51 132.83 55.17 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 116.39 -0.368 . . . . 2.51 110.021 177.064 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 102.82 -16.93 54.01 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.726 -0.75 . . . . 0.79 111.978 -176.614 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -125.11 151.78 45.26 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.876 0.37 . . . . 0.77 110.376 179.694 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.433 ' HG2' ' CE2' ' A' ' 40' ' ' TYR . 0.0 OUTLIER -120.06 -17.32 8.42 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.166 -0.47 . . . . 2.51 111.259 -179.705 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -161.88 178.24 37.81 Favored Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 120.37 -0.919 . . . . 0.56 112.766 -179.27 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -161.64 158.38 30.21 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 121.032 -0.604 . . . . 0.63 112.339 -178.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 14.3 p90 -150.32 151.97 33.74 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.574 0.226 . . . . 1.08 110.559 -179.021 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 13.8 m -82.85 101.2 10.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.027 0.441 . . . . 1.1 110.453 -178.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -96.38 -175.31 3.3 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.843 -0.617 . . . . 1.49 110.037 178.513 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp 57.46 50.84 10.58 Favored 'General case' 0 C--N 1.331 -0.2 0 O-C-N 123.504 0.502 . . . . 2.35 111.097 178.058 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 84.48 13.06 74.19 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 121.005 -0.617 . . . . 1.17 112.3 178.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 80.55 29.84 42.47 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.825 -0.702 . . . . 0.87 112.318 -178.724 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.402 ' CE2' ' HA2' ' A' ' 6' ' ' GLY . 97.0 m-85 -115.34 -33.65 5.22 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 111.818 0.303 . . . . 0.98 111.818 -177.582 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 97.3 t -101.27 111.24 30.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 120.93 0.395 . . . . 0.73 111.205 -175.378 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.465 ' HB2' ' SG ' ' A' ' 4' ' ' CYS . 39.0 t -72.51 99.69 2.56 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.841 -0.618 . . . . 1.48 109.573 175.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 21.1 ttpp -102.84 145.41 29.83 Favored 'General case' 0 CA--C 1.509 -0.62 0 N-CA-C 109.896 -0.409 . . . . 1.56 109.896 179.37 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 34.6 m -105.77 167.77 9.55 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 115.599 -0.728 . . . . 0.59 110.511 -175.561 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.433 ' CE2' ' HG2' ' A' ' 26' ' ' LYS . 38.7 p90 . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.58 -0.724 . . . . 1.72 109.244 172.469 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.758 0 N-CA-C 112.13 -0.388 . . . . 2.06 112.13 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -79.4 -3.11 44.87 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.136 0.493 . . . . 1.06 111.249 -177.752 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -162.43 -43.49 0.02 OUTLIER Glycine 0 N--CA 1.446 -0.641 0 N-CA-C 110.639 -0.984 . . . . 0.93 110.639 179.333 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 22.0 m -77.68 129.98 36.24 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 110.198 -0.297 . . . . 1.42 110.198 175.035 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 58.2 m-80 -141.02 54.77 1.56 Allowed 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.325 0.583 . . . . 1.57 109.925 178.224 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 109.83 160.49 18.45 Favored Glycine 0 N--CA 1.445 -0.742 0 C-N-CA 120.868 -0.682 . . . . 0.77 111.823 179.075 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_exo -50.9 -38.08 57.25 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 123.245 2.63 . . . . 1.07 112.184 -178.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -63.63 -26.54 68.72 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 114.761 -1.108 . . . . 4.12 111.362 -177.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 40.0 t30 -142.44 80.69 1.71 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.207 0.527 . . . . 1.6 110.281 -173.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.495 ' HB3' ' SG ' ' A' ' 30' ' ' CYS . 44.8 mt-10 -114.32 94.55 4.85 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.101 -0.5 . . . . 1.62 110.832 -178.262 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.662 ' OD2' ' HD2' ' A' ' 14' ' ' ARG . 12.7 t70 -105.25 95.72 6.03 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.753 -0.462 . . . . 1.78 109.753 174.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -68.66 -23.72 64.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.9 -0.591 . . . . 2.4 110.591 -178.161 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.466 HD12 HD21 ' A' ' 17' ' ' ASN . 0.0 OUTLIER -63.48 -50.85 68.03 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 116.325 -0.398 . . . . 0.98 110.654 -173.56 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.662 ' HD2' ' OD2' ' A' ' 11' ' ' ASP . 0.0 OUTLIER -51.59 -51.2 57.47 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.711 0.291 . . . . 4.04 111.557 176.397 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.449 ' HB3' ' HB3' ' A' ' 37' ' ' CYS . 75.9 m -68.17 -34.91 77.19 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 116.489 -0.323 . . . . 1.47 111.176 -178.087 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 45.8 t60 -59.74 -51.46 69.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.83 109.938 172.006 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.466 HD21 HD12 ' A' ' 13' ' ' LEU . 93.8 m-20 -60.13 -46.43 89.66 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.59 -0.732 . . . . 0.58 111.008 -179.189 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 77.8 t60 -59.75 -49.62 77.01 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.783 -0.644 . . . . 1.06 111.21 -179.535 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.482 ' O ' ' HB2' ' A' ' 25' ' ' TYR . 40.3 m -77.44 -26.42 51.52 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 112.67 0.619 . . . . 0.56 112.67 -174.532 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.4 pttp -75.76 -10.67 59.62 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.256 -0.577 . . . . 2.1 110.07 177.463 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 20.6 m -93.67 -9.69 37.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.946 -0.57 . . . . 1.53 110.466 176.799 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 73.8 mt -102.4 125.93 56.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.032 -0.531 . . . . 0.68 109.901 -179.506 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 33.4 ttpt -58.31 126.51 27.83 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.436 -0.347 . . . . 2.51 110.168 178.35 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 113.49 -23.99 12.88 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.947 -0.644 . . . . 0.79 112.419 -177.444 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.482 ' HB2' ' O ' ' A' ' 19' ' ' CYS . 39.7 m-85 -122.7 158.52 29.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.91 0.355 . . . . 0.77 110.244 178.827 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -133.91 1.84 3.33 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 121.014 -0.274 . . . . 2.51 111.571 173.671 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -176.77 172.73 45.69 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.287 -0.958 . . . . 0.56 112.593 178.095 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -160.31 158.81 30.22 Favored Glycine 0 N--CA 1.451 -0.337 0 N-CA-C 111.914 -0.475 . . . . 0.63 111.914 179.67 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.48 ' O ' ' HA ' ' A' ' 37' ' ' CYS . 45.3 p90 -148.42 155.33 41.08 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 110.19 -0.3 . . . . 1.08 110.19 -179.005 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.495 ' SG ' ' HB3' ' A' ' 10' ' ' GLU . 0.0 OUTLIER -73.03 100.75 3.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.057 0.456 . . . . 1.1 110.984 -177.92 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -111.71 -174.03 2.38 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.099 -0.5 . . . . 1.49 110.029 179.564 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt 52.54 54.97 9.75 Favored 'General case' 0 C--N 1.33 -0.265 0 O-C-N 123.573 0.546 . . . . 2.35 111.244 178.059 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 91.72 -2.37 76.68 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.778 -0.725 . . . . 1.17 112.482 179.282 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 93.91 19.25 34.59 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.82 -0.705 . . . . 0.87 111.967 -179.087 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -111.43 -56.64 2.35 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.838 0.351 . . . . 0.98 111.075 -178.083 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 63.9 t -79.57 114.95 21.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.101 -0.5 . . . . 0.73 110.559 -175.237 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.48 ' HA ' ' O ' ' A' ' 29' ' ' TYR . 93.2 m -75.93 94.49 3.38 Favored 'General case' 0 N--CA 1.439 -1.006 0 CA-C-O 120.976 0.417 . . . . 1.48 110.284 178.208 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 6.5 tmtt? -75.87 129.23 36.65 Favored 'General case' 0 CA--C 1.508 -0.652 0 N-CA-C 108.8 -0.815 . . . . 1.56 108.8 179.346 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 74.5 m -113.97 143.73 44.25 Favored 'General case' 0 C--N 1.304 -1.377 0 CA-C-N 115.139 -0.937 . . . . 0.59 111.484 -173.06 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 23.8 p90 . . . . . 0 C--O 1.25 1.105 0 CA-C-N 115.25 -0.886 . . . . 1.72 110.304 -176.511 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.472 ' HA3' ' O ' ' A' ' 4' ' ' CYS . . . . . . . . 0 N--CA 1.482 1.751 0 N-CA-C 111.876 -0.49 . . . . 2.06 111.876 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -110.83 71.1 0.73 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.052 0.454 . . . . 1.06 110.119 -179.334 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.426 ' HA3' ' CB ' ' A' ' 14' ' ' ARG . . . 100.48 -51.32 1.01 Allowed Glycine 0 N--CA 1.447 -0.631 0 N-CA-C 110.398 -1.081 . . . . 0.93 110.398 -174.562 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.753 ' SG ' ' HA ' ' A' ' 10' ' ' GLU . 8.6 t -87.1 129.65 34.83 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.235 -0.654 . . . . 1.42 109.235 171.481 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 51.1 m-80 -134.97 33.33 3.16 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.445 -0.343 . . . . 1.57 111.176 -175.662 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.444 ' HA2' ' O ' ' A' ' 34' ' ' GLY . . . 117.99 171.76 15.49 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.654 -0.784 . . . . 0.77 112.47 178.277 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 8.3 Cg_endo -49.71 -30.03 21.43 Favored 'Trans proline' 0 N--CA 1.474 0.364 0 C-N-CA 124.318 3.346 . . . . 1.07 113.854 -176.158 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 12.5 p-90 -72.61 -20.04 61.35 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.315 -0.402 . . . . 4.12 111.217 -178.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 51.7 t30 -158.48 64.38 0.43 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.166 0.508 . . . . 1.6 110.11 -172.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.753 ' HA ' ' SG ' ' A' ' 4' ' ' CYS . 42.7 mt-10 -89.55 77.43 7.23 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.208 -0.451 . . . . 1.62 110.248 179.074 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.48 ' OD2' ' HG2' ' A' ' 14' ' ' ARG . 11.3 t70 -74.45 97.56 3.11 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.385 -0.598 . . . . 1.78 109.385 175.615 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -68.52 -31.48 70.75 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.674 -0.694 . . . . 2.4 110.409 -175.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -61.13 -54.32 46.0 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.693 -0.685 . . . . 0.98 111.065 -176.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.48 ' HG2' ' OD2' ' A' ' 11' ' ' ASP . 15.6 mmm-85 -54.95 -56.02 24.26 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.104 -0.498 . . . . 4.04 111.523 -179.125 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.687 ' SG ' ' HB3' ' A' ' 4' ' ' CYS . 83.8 m -62.06 -33.45 74.42 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.443 -0.344 . . . . 1.47 111.554 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.439 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 33.0 t60 -59.11 -50.45 74.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.267 -0.424 . . . . 0.83 109.978 171.822 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 -66.92 -29.92 69.92 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.661 -0.699 . . . . 0.58 111.274 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 67.6 t60 -61.64 -42.71 99.27 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.014 0.435 . . . . 1.06 110.204 175.378 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 94.5 m -76.98 -13.63 59.94 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.139 -0.482 . . . . 0.56 110.839 178.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.439 ' HG2' ' O ' ' A' ' 16' ' ' HIS . 32.6 mmmt -76.68 -25.07 53.26 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.053 0.454 . . . . 2.1 109.996 173.066 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 15.6 m -74.39 -19.74 60.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.889 -0.596 . . . . 1.53 109.966 175.546 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 26.5 mt -101.22 134.45 41.37 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.469 0 CA-C-N 115.751 -0.658 . . . . 0.68 109.737 179.792 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 35.6 ttmt -76.83 138.73 40.0 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 120.998 0.428 . . . . 2.51 111.131 -178.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 104.57 -19.89 40.87 Favored Glycine 0 N--CA 1.45 -0.38 0 CA-C-N 115.525 -0.761 . . . . 0.79 113.253 177.44 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 50.1 m-85 -113.83 143.62 44.36 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.909 0.355 . . . . 0.77 110.985 -175.709 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.46 ' HB2' ' CE2' ' A' ' 40' ' ' TYR . 50.4 mmtt -92.53 -27.74 17.21 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.106 -0.497 . . . . 2.51 110.378 -179.64 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -173.09 -170.96 37.33 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.695 -0.765 . . . . 0.56 112.061 -177.706 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -146.6 157.28 27.35 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 121.078 -0.582 . . . . 0.63 112.033 -176.634 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 3.2 p90 -136.88 144.95 43.81 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.722 0.296 . . . . 1.08 110.89 -176.289 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 7.8 m -73.73 94.7 2.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.928 -0.578 . . . . 1.1 110.55 -178.298 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -109.25 -171.08 1.77 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.642 -0.708 . . . . 1.49 110.242 -178.794 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 32.4 mmmt 51.68 64.46 1.84 Allowed 'General case' 0 C--O 1.234 0.253 0 O-C-N 123.611 0.57 . . . . 2.35 110.781 -179.54 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 86.72 -6.85 81.83 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.904 -0.665 . . . . 1.17 111.801 -178.709 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.444 ' O ' ' HA2' ' A' ' 6' ' ' GLY . . . 93.39 11.53 58.24 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 121.175 -0.536 . . . . 0.87 112.314 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -109.91 -24.1 11.0 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.011 0.374 . . . . 0.98 112.011 -176.675 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 54.2 t -100.66 106.6 19.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 121.091 0.472 . . . . 0.73 110.826 -176.026 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.724 ' SG ' ' HB3' ' A' ' 4' ' ' CYS . 68.8 m -72.97 95.07 1.94 Allowed 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 115.651 -0.704 . . . . 1.48 110.893 178.379 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 24.3 ttpp -93.13 146.42 23.67 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.968 -0.56 . . . . 1.56 110.233 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 75.9 m -81.5 166.5 20.25 Favored 'General case' 0 C--N 1.311 -1.09 0 N-CA-C 108.54 -0.911 . . . . 0.59 108.54 176.085 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.46 ' CE2' ' HB2' ' A' ' 26' ' ' LYS . 10.3 m-30 . . . . . 0 C--O 1.247 0.939 0 CA-C-O 118.12 -0.943 . . . . 1.72 112.001 -177.57 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.852 0 N-CA-C 112.155 -0.378 . . . . 2.06 112.155 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 50.2 m-85 -116.05 53.32 0.87 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.959 0.409 . . . . 1.06 110.151 -179.751 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 83.66 -47.21 3.79 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 121.082 -0.58 . . . . 0.93 111.761 -179.245 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 53.7 t -71.4 94.82 1.28 Allowed 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.978 0.418 . . . . 1.42 110.097 178.071 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -108.29 4.45 24.61 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.317 -0.401 . . . . 1.57 111.295 -176.237 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 133.2 175.08 13.8 Favored Glycine 0 N--CA 1.445 -0.714 0 C-N-CA 120.761 -0.733 . . . . 0.77 111.559 -178.213 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.443 ' HA ' ' CG ' ' A' ' 10' ' ' GLU . 25.8 Cg_endo -62.43 -23.82 75.23 Favored 'Trans proline' 0 N--CA 1.471 0.148 0 C-N-CA 122.993 2.462 . . . . 1.07 112.328 -179.072 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 6.0 p-90 -74.04 -20.43 60.3 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.67 -0.696 . . . . 4.12 110.658 177.511 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -149.47 67.86 1.02 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.798 -0.637 . . . . 1.6 109.42 -174.688 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.443 ' CG ' ' HA ' ' A' ' 7' ' ' PRO . 43.3 mt-10 -88.52 67.0 8.43 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.519 -0.764 . . . . 1.62 110.139 -178.421 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.517 ' OD2' ' HB2' ' A' ' 14' ' ' ARG . 26.4 t70 -63.84 115.27 4.67 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.326 0.584 . . . . 1.78 110.619 -178.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -74.18 -42.73 59.39 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.149 -0.932 . . . . 2.4 111.51 -175.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.62 -54.03 42.21 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.223 -0.444 . . . . 0.98 111.524 -169.778 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.517 ' HB2' ' OD2' ' A' ' 11' ' ' ASP . 0.9 OUTLIER -60.65 -42.32 96.75 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 111.79 0.293 . . . . 4.04 111.79 -178.003 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 37.2 t -65.65 -39.79 91.77 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.38 0.609 . . . . 1.47 109.564 177.018 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.468 ' O ' ' HG3' ' A' ' 20' ' ' LYS . 84.5 t60 -59.88 -44.15 94.36 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.536 -0.756 . . . . 0.83 110.377 175.47 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -66.05 -45.31 81.85 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.241 -0.436 . . . . 0.58 110.992 178.743 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 74.4 t60 -54.47 -37.76 65.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.787 -0.642 . . . . 1.06 111.031 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 85.6 m -85.04 -15.95 42.37 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.065 -0.516 . . . . 0.56 111.877 -178.135 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.468 ' HG3' ' O ' ' A' ' 16' ' ' HIS . 54.9 mtpt -73.74 -31.75 63.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.103 0.478 . . . . 2.1 110.11 175.026 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.8 p -81.32 8.19 9.74 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.745 -0.661 . . . . 1.53 111.123 177.446 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 42.7 mt -118.86 111.56 34.12 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.535 0 N-CA-C 108.833 -0.802 . . . . 0.68 108.833 173.768 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 23.6 ttmm -68.0 133.59 49.3 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-O 121.485 0.659 . . . . 2.51 110.95 -175.069 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 109.59 -11.44 32.91 Favored Glycine 0 N--CA 1.447 -0.621 0 CA-C-N 114.962 -1.017 . . . . 0.79 111.767 -175.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 50.1 m-85 -123.84 169.55 11.45 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 110.282 -0.266 . . . . 0.77 110.282 178.334 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.504 ' N ' ' HD3' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -143.04 31.19 1.4 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.252 0.548 . . . . 2.51 111.121 -179.208 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 136.66 177.5 15.06 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.615 -0.802 . . . . 0.56 111.589 178.518 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -158.18 175.41 35.37 Favored Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 120.313 -0.946 . . . . 0.63 113.142 -177.04 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 10.7 p90 -151.0 167.69 26.87 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.799 -0.445 . . . . 1.08 109.799 179.302 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.505 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 84.2 m -81.72 96.65 7.62 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.055 0.455 . . . . 1.1 110.81 179.811 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -83.58 -177.0 6.57 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.49 -0.777 . . . . 1.49 110.215 178.337 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 48.3 mmtm 58.53 -150.72 0.43 Allowed 'General case' 0 C--O 1.233 0.23 0 N-CA-C 109.431 -0.581 . . . . 2.35 109.431 -176.6 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -52.16 -24.69 16.11 Favored Glycine 0 CA--C 1.522 0.521 0 C-N-CA 121.219 -0.515 . . . . 1.17 112.871 174.3 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 128.62 19.8 1.62 Allowed Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.804 -0.712 . . . . 0.87 112.859 174.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 77.0 m-85 -116.35 11.44 15.0 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 117.075 0.438 . . . . 0.98 111.692 -177.575 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.505 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 63.8 t -117.75 116.1 50.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 C-N-CA 120.953 -0.299 . . . . 0.73 111.21 -176.403 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 48.2 t -75.79 86.11 2.78 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.505 -0.554 . . . . 1.48 109.505 176.559 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.37 128.48 44.22 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.834 -0.621 . . . . 1.56 110.111 -175.541 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 33.7 m -87.71 160.1 18.23 Favored 'General case' 0 C--N 1.307 -1.264 0 CA-C-N 114.654 -1.157 . . . . 0.59 110.592 -174.669 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 . . . . . 0 C--O 1.252 1.188 0 CA-C-O 117.985 -1.007 . . . . 1.72 110.479 179.488 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.927 0 N-CA-C 111.876 -0.49 . . . . 2.06 111.876 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.524 ' O ' ' HB3' ' A' ' 14' ' ' ARG . 33.6 m-85 54.6 52.51 12.12 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 122.958 0.503 . . . . 1.06 111.334 178.708 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 88.1 -37.53 3.26 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 121.009 -0.615 . . . . 0.93 112.179 -178.831 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.494 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 46.0 t -84.2 106.09 15.56 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.989 0.424 . . . . 1.42 110.71 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 42.7 m-80 -108.51 12.74 25.88 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.951 0.405 . . . . 1.57 110.412 178.833 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 119.01 174.41 15.9 Favored Glycine 0 N--CA 1.445 -0.743 0 C-N-CA 121.032 -0.604 . . . . 0.77 112.571 177.795 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 13.6 Cg_endo -56.8 -29.18 80.0 Favored 'Trans proline' 0 C--O 1.233 0.243 0 C-N-CA 123.324 2.683 . . . . 1.07 112.731 -175.064 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 8.0 p-90 -75.83 -22.5 56.21 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.764 -0.653 . . . . 4.12 110.949 -179.152 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -160.74 69.16 0.36 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.319 0.581 . . . . 1.6 110.474 -174.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.446 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 2.1 pt-20 -110.75 161.01 16.21 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.201 -0.454 . . . . 1.62 110.71 177.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -142.27 107.79 5.06 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.772 -0.649 . . . . 1.78 109.589 -179.023 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -66.96 -22.65 65.92 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.124 -0.489 . . . . 2.4 111.531 -175.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.453 HD12 ' ND2' ' A' ' 17' ' ' ASN . 0.1 OUTLIER -76.54 -47.55 22.29 Favored 'General case' 0 N--CA 1.442 -0.831 0 CA-C-N 116.34 -0.391 . . . . 0.98 110.429 -174.845 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.524 ' HB3' ' O ' ' A' ' 2' ' ' PHE . 0.0 OUTLIER -60.71 -40.36 91.99 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.677 -0.238 . . . . 4.04 110.954 178.898 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.494 ' SG ' ' HB2' ' A' ' 4' ' ' CYS . 74.1 m -58.88 -53.19 61.22 Favored 'General case' 0 N--CA 1.447 -0.606 0 N-CA-C 109.857 -0.423 . . . . 1.47 109.857 174.247 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.528 ' O ' ' HG3' ' A' ' 20' ' ' LYS . 27.6 t60 -54.27 -54.45 39.9 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.784 -0.643 . . . . 0.83 111.392 178.881 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.453 ' ND2' HD12 ' A' ' 13' ' ' LEU . 89.4 m-20 -55.95 -48.54 75.58 Favored 'General case' 0 C--N 1.327 -0.39 0 O-C-N 123.485 0.491 . . . . 0.58 111.184 -176.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 74.0 t60 -58.26 -48.01 81.8 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.371 -0.377 . . . . 1.06 110.866 178.224 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 88.0 m -64.66 -47.42 78.55 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.383 0.512 . . . . 0.56 112.383 -175.125 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.528 ' HG3' ' O ' ' A' ' 16' ' ' HIS . 0.0 OUTLIER -80.34 -1.3 40.5 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.241 -0.584 . . . . 2.1 111.694 -176.821 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 69.3 m -82.53 -14.83 54.26 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.087 -0.708 . . . . 1.53 109.087 170.041 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 37.5 mt -98.69 135.6 32.97 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.648 0 CA-C-N 115.162 -0.926 . . . . 0.68 108.767 177.02 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 34.8 ttmt -72.19 134.79 45.87 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-O 121.265 0.555 . . . . 2.51 110.662 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 101.45 4.18 53.0 Favored Glycine 0 N--CA 1.449 -0.464 0 CA-C-N 115.271 -0.877 . . . . 0.79 112.636 -178.47 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 -134.93 158.99 42.86 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.699 0.285 . . . . 0.77 110.38 178.551 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.53 -28.06 2.56 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.404 -0.362 . . . . 2.51 111.637 177.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -146.69 175.07 26.3 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 119.831 -1.175 . . . . 0.56 113.161 -177.756 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -155.44 144.59 11.16 Favored Glycine 0 N--CA 1.446 -0.684 0 C-N-CA 121.103 -0.57 . . . . 0.63 112.012 178.681 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 6.3 p90 -144.78 159.81 42.26 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 110.365 -0.235 . . . . 1.08 110.365 179.529 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 81.8 m -75.37 106.8 7.09 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.113 0.482 . . . . 1.1 111.167 -178.146 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -121.91 -172.18 2.39 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.426 -0.806 . . . . 1.49 109.66 177.306 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.0 mmmm 52.23 63.5 2.22 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-O 121.151 0.5 . . . . 2.35 110.781 -179.595 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 92.24 -16.54 59.51 Favored Glycine 0 N--CA 1.448 -0.56 0 N-CA-C 111.251 -0.739 . . . . 1.17 111.251 -176.074 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 87.79 27.22 27.25 Favored Glycine 0 N--CA 1.444 -0.799 0 C-N-CA 121.013 -0.613 . . . . 0.87 111.759 -178.537 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 79.4 m-85 -119.88 -18.12 8.31 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.928 0.394 . . . . 0.98 110.76 179.513 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 48.1 t -103.25 124.12 57.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.174 -0.466 . . . . 0.73 110.796 -175.128 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.408 ' SG ' ' HB2' ' A' ' 2' ' ' PHE . 80.1 m -71.08 88.97 0.8 Allowed 'General case' 0 N--CA 1.447 -0.581 0 N-CA-C 109.712 -0.477 . . . . 1.48 109.712 173.608 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.419 ' HD2' ' N ' ' A' ' 39' ' ' CYS . 3.5 tmmm? -83.76 131.81 34.88 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.15 -0.685 . . . . 1.56 109.15 -179.526 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.419 ' N ' ' HD2' ' A' ' 38' ' ' LYS . 56.7 m -100.29 141.56 32.97 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 115.0 -1.0 . . . . 0.59 111.37 -171.368 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 46.2 p90 . . . . . 0 C--O 1.251 1.169 0 CA-C-O 118.131 -0.938 . . . . 1.72 109.533 175.206 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.743 0 N-CA-C 112.226 -0.35 . . . . 2.06 112.226 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 71.6 m-85 -81.58 65.66 6.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.165 0.507 . . . . 1.06 110.12 -179.521 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 99.39 -34.89 5.08 Favored Glycine 0 C--N 1.318 -0.425 0 N-CA-C 111.215 -0.754 . . . . 0.93 111.215 -177.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 23.5 m -80.49 98.2 7.46 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.225 -0.488 . . . . 1.42 110.185 177.543 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 54.7 m-80 -140.36 41.72 1.91 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.79 0.329 . . . . 1.57 111.186 -176.136 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 158.53 165.62 16.12 Favored Glycine 0 N--CA 1.444 -0.829 0 C-N-CA 120.229 -0.986 . . . . 0.77 112.696 179.188 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -77.06 -26.8 7.4 Favored 'Trans proline' 0 N--CA 1.464 -0.234 0 C-N-CA 122.503 2.135 . . . . 1.07 110.293 172.739 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 25.5 p-90 -105.14 -14.4 15.4 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 114.712 -1.131 . . . . 4.12 110.208 175.476 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -108.48 55.95 0.63 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.372 0.606 . . . . 1.6 109.897 -175.149 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -100.01 118.2 35.89 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.51 -0.768 . . . . 1.62 110.708 -179.505 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -117.67 102.71 9.37 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.151 0.5 . . . . 1.78 109.742 172.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 36.4 m-20 -78.83 -13.22 59.93 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.673 -0.694 . . . . 2.4 110.823 -175.494 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.447 HD12 HD21 ' A' ' 17' ' ' ASN . 0.1 OUTLIER -71.48 -53.27 14.48 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 109.968 -0.382 . . . . 0.98 109.968 -177.543 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -58.27 -38.6 77.31 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.209 -0.45 . . . . 4.04 111.106 177.733 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.3 t -65.83 -44.22 86.24 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.135 0.493 . . . . 1.47 109.812 175.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.496 ' HA ' ' H ' ' A' ' 28' ' ' GLY . 54.5 t60 -54.33 -47.9 72.0 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.744 -0.662 . . . . 0.83 110.595 174.041 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.459 ' HA ' ' HG2' ' A' ' 20' ' ' LYS . 92.9 m-20 -62.49 -41.05 98.55 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.864 -0.607 . . . . 0.58 111.026 -179.045 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 67.7 t60 -61.53 -48.89 78.97 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.137 -0.483 . . . . 1.06 111.014 176.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 74.6 m -76.87 -29.52 55.86 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.569 0.581 . . . . 0.56 112.569 -174.582 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.459 ' HG2' ' HA ' ' A' ' 17' ' ' ASN . 61.2 pttt -73.6 -14.62 61.22 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 121.126 0.489 . . . . 2.1 110.032 178.678 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 47.4 t -73.91 -26.36 60.49 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.815 -0.629 . . . . 1.53 109.656 174.506 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 54.6 mt -90.28 117.61 33.91 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.461 0 CA-C-N 115.453 -0.794 . . . . 0.68 109.454 177.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.2 ttmm -69.12 128.42 36.58 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.278 -0.419 . . . . 2.51 110.573 -175.491 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 118.07 -17.03 11.83 Favored Glycine 0 N--CA 1.449 -0.451 0 CA-C-N 115.736 -0.665 . . . . 0.79 112.279 -177.679 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 87.3 m-85 -113.02 141.57 46.71 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 110.105 -0.332 . . . . 0.77 110.105 179.058 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.656 ' HB2' ' CE2' ' A' ' 40' ' ' TYR . 91.0 mttt -80.33 -22.8 41.11 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.326 0.584 . . . . 2.51 110.601 -178.502 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 166.75 -160.11 33.66 Favored Glycine 0 N--CA 1.439 -1.136 0 CA-C-N 115.418 -0.81 . . . . 0.56 111.601 -179.504 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.496 ' H ' ' HA ' ' A' ' 16' ' ' HIS . . . -153.96 161.01 29.74 Favored Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 120.964 -0.636 . . . . 0.63 111.763 -176.588 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -154.5 157.96 39.15 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 110.083 -0.34 . . . . 1.08 110.083 -177.825 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 34.1 m -76.74 102.47 6.24 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.102 -0.499 . . . . 1.1 110.257 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -115.88 -173.9 2.43 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.572 -0.74 . . . . 1.49 110.245 -179.019 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 41.7 tptt 57.18 48.15 15.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.422 0.629 . . . . 2.35 110.332 175.599 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 103.65 -12.44 53.81 Favored Glycine 0 N--CA 1.447 -0.629 0 CA-C-N 115.687 -0.688 . . . . 1.17 111.627 -177.4 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 93.62 13.33 55.58 Favored Glycine 0 N--CA 1.446 -0.671 0 C-N-CA 120.944 -0.646 . . . . 0.87 111.813 -178.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 53.9 m-85 -112.66 -27.77 8.06 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.997 0.427 . . . . 0.98 110.669 -177.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 57.9 t -91.68 110.03 22.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 116.018 -0.537 . . . . 0.73 110.778 -174.513 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 44.0 t -67.1 102.49 1.02 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.766 -0.652 . . . . 1.48 109.533 174.753 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 34.4 ttpt -106.56 147.89 28.9 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.463 -0.335 . . . . 1.56 110.4 -176.859 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 33.9 m -110.25 141.29 43.43 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.802 -0.635 . . . . 0.59 109.75 -178.355 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.656 ' CE2' ' HB2' ' A' ' 26' ' ' LYS . 52.2 p90 . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.751 -0.643 . . . . 1.72 110.243 179.496 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . 0.41 ' O ' ' HB3' ' A' ' 14' ' ' ARG . 39.6 m-85 . . . . . 0 N--CA 1.467 0.378 0 CA-C-O 121.04 0.447 . . . . 1.06 111.296 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 82.52 -47.15 3.7 Favored Glycine 0 N--CA 1.45 -0.425 0 CA-C-N 115.913 -0.585 . . . . 0.93 111.896 -178.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 49.6 t -74.56 119.43 18.74 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 120.977 0.418 . . . . 1.42 110.397 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -110.77 9.8 22.65 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.5 -0.318 . . . . 1.57 110.772 -179.124 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . 0.438 ' HA2' ' O ' ' A' ' 34' ' ' GLY . . . 118.25 -175.69 15.82 Favored Glycine 0 N--CA 1.442 -0.9 0 C-N-CA 120.653 -0.784 . . . . 0.77 112.213 179.212 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -53.25 -31.11 54.5 Favored 'Trans proline' 0 CA--C 1.529 0.237 0 C-N-CA 123.728 2.952 . . . . 1.07 113.608 -175.601 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 8.8 p-90 -74.9 -24.0 58.46 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.857 0.36 . . . . 4.12 111.069 -179.334 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -151.88 71.02 0.96 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.435 -0.58 . . . . 1.6 109.435 -175.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -86.15 150.23 24.56 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.016 -0.735 . . . . 1.62 109.016 178.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.575 ' CG ' ' HD2' ' A' ' 14' ' ' ARG . 6.6 t0 -143.28 98.55 3.28 Favored 'General case' 0 C--N 1.319 -0.72 0 C-N-CA 120.537 -0.465 . . . . 1.78 110.588 -178.696 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -65.09 -30.14 71.06 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.669 -0.696 . . . . 2.4 110.778 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.572 HD12 ' NH2' ' A' ' 14' ' ' ARG . 2.4 tm? -75.36 -52.73 10.08 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.161 -0.472 . . . . 0.98 111.26 -173.175 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.575 ' HD2' ' CG ' ' A' ' 11' ' ' ASP . 0.0 OUTLIER -57.13 -45.53 83.43 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 120.899 -0.32 . . . . 4.04 111.112 178.463 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 74.6 m -58.83 -46.1 88.47 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-O 120.954 0.407 . . . . 1.47 110.16 176.032 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.3 t60 -54.01 -50.89 65.59 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-N 115.85 -0.614 . . . . 0.83 111.027 175.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.464 ' ND2' HD13 ' A' ' 13' ' ' LEU . 98.4 m-20 -62.17 -34.91 77.31 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.169 -0.469 . . . . 0.58 111.703 -177.548 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 65.9 t60 -68.86 -48.74 62.67 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.381 -0.372 . . . . 1.06 110.568 176.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 71.4 m -70.46 -34.99 73.05 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.212 -0.449 . . . . 0.56 112.156 -174.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 57.3 pttt -75.34 -8.49 56.81 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.692 -0.403 . . . . 2.1 110.532 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 17.5 t -84.78 -11.11 56.44 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.402 -0.592 . . . . 1.53 109.402 176.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 47.7 mt -105.2 114.54 45.02 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.492 0 CA-C-N 115.548 -0.751 . . . . 0.68 109.51 178.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 21.8 ttmm -56.12 131.71 48.36 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.07 0.462 . . . . 2.51 110.877 -178.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 114.44 -36.51 3.94 Favored Glycine 0 N--CA 1.447 -0.578 0 CA-C-N 115.546 -0.752 . . . . 0.79 112.031 -176.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 69.4 m-85 -100.92 163.83 12.12 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.634 0.254 . . . . 0.77 110.36 -179.269 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.98 -29.51 2.3 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.37 -0.377 . . . . 2.51 111.277 177.696 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.536 ' HA3' ' CZ ' ' A' ' 40' ' ' TYR . . . -137.73 169.28 24.19 Favored Glycine 0 N--CA 1.444 -0.78 0 C-N-CA 119.618 -1.277 . . . . 0.56 113.166 -176.695 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.614 ' HA2' ' O ' ' A' ' 38' ' ' LYS . . . -156.29 141.35 7.9 Favored Glycine 0 N--CA 1.446 -0.652 0 N-CA-C 111.277 -0.729 . . . . 0.63 111.277 179.437 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -151.81 158.08 42.81 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 117.005 0.402 . . . . 1.08 110.599 -177.205 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 10.1 m -69.62 97.95 1.1 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.101 -0.5 . . . . 1.1 110.331 -179.598 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -99.18 -81.86 0.45 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.221 -0.445 . . . . 1.49 111.448 -176.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -59.2 111.31 1.3 Allowed 'General case' 0 C--O 1.235 0.329 0 CA-C-O 120.969 0.414 . . . . 2.35 111.525 -176.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 70.34 -4.97 7.53 Favored Glycine 0 C--N 1.332 0.315 0 CA-C-N 115.349 -0.841 . . . . 1.17 112.74 179.221 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.438 ' O ' ' HA2' ' A' ' 6' ' ' GLY . . . 81.07 14.49 79.17 Favored Glycine 0 N--CA 1.444 -0.825 0 C-N-CA 120.696 -0.764 . . . . 0.87 111.418 -172.722 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -111.77 -44.74 3.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.892 0.377 . . . . 0.98 110.976 -179.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 60.7 t -78.73 122.19 33.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.908 -0.587 . . . . 0.73 111.677 -173.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 85.2 m -73.3 92.88 1.84 Allowed 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 116.116 -0.493 . . . . 1.48 109.942 173.363 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.614 ' O ' ' HA2' ' A' ' 28' ' ' GLY . 27.8 ttmt -73.71 136.83 43.76 Favored 'General case' 0 CA--C 1.51 -0.574 0 N-CA-C 109.24 -0.652 . . . . 1.56 109.24 176.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 62.5 m -103.6 133.54 48.45 Favored 'General case' 0 C--N 1.309 -1.159 0 CA-C-N 115.852 -0.613 . . . . 0.59 110.219 -177.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.536 ' CZ ' ' HA3' ' A' ' 27' ' ' GLY . 29.8 p90 . . . . . 0 C--O 1.25 1.113 0 CA-C-O 118.595 -0.717 . . . . 1.72 109.536 178.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 . . . . . 0 N--CA 1.454 -0.264 0 CA-C-O 121.295 0.569 . . . . 1.06 110.257 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . 0.484 ' HA2' ' CZ ' ' A' ' 14' ' ' ARG . . . 105.82 -13.63 45.8 Favored Glycine 0 N--CA 1.445 -0.716 0 CA-C-N 115.351 -0.84 . . . . 0.93 111.068 -176.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.48 ' HA ' ' HA ' ' A' ' 10' ' ' GLU . 55.8 m -102.9 107.58 18.46 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 114.961 -0.619 . . . . 1.42 110.083 179.375 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . 0.421 ' HB2' ' HB3' ' A' ' 9' ' ' ASN . 37.8 m-80 -120.26 15.5 12.25 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 120.813 0.339 . . . . 1.57 110.57 -179.652 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 115.28 175.94 18.47 Favored Glycine 0 N--CA 1.443 -0.839 0 C-N-CA 120.615 -0.802 . . . . 0.77 112.237 179.191 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_endo -54.9 -26.88 50.82 Favored 'Trans proline' 0 N--CA 1.473 0.289 0 C-N-CA 123.616 2.877 . . . . 1.07 113.377 -175.24 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 9.8 p-90 -81.26 -22.35 38.76 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.091 -0.504 . . . . 4.12 111.159 -178.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.421 ' HB3' ' HB2' ' A' ' 5' ' ' ASN . 52.7 t-20 -155.06 64.27 0.64 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.224 0.535 . . . . 1.6 110.169 -172.214 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.48 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 7.1 pt-20 -120.15 94.87 4.53 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.373 0.606 . . . . 1.62 110.294 175.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -80.8 102.84 10.24 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.835 -0.62 . . . . 1.78 110.592 -179.428 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -55.93 -36.56 67.89 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.108 -0.951 . . . . 2.4 110.614 178.694 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.4 HD12 HD21 ' A' ' 17' ' ' ASN . 0.1 OUTLIER -65.91 -46.8 76.95 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 115.731 -0.668 . . . . 0.98 110.48 -178.679 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.484 ' CZ ' ' HA2' ' A' ' 3' ' ' GLY . 0.0 OUTLIER -55.48 -49.73 71.77 Favored 'General case' 0 N--CA 1.441 -0.897 0 C-N-CA 123.214 0.606 . . . . 4.04 111.19 179.136 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 48.6 t -60.82 -48.18 82.99 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.402 -0.817 . . . . 1.47 110.127 177.413 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.428 ' NE2' ' HD3' ' A' ' 20' ' ' LYS . 51.3 t60 -52.56 -48.94 65.84 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.008 -0.542 . . . . 0.83 110.913 175.241 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.4 HD21 HD12 ' A' ' 13' ' ' LEU . 93.0 m-20 -59.65 -42.23 92.33 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.014 -0.539 . . . . 0.58 111.214 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 78.4 t60 -62.62 -46.42 88.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 1.06 111.07 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 60.3 m -75.96 -36.87 59.12 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.265 -0.425 . . . . 0.56 112.08 -174.59 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.428 ' HD3' ' NE2' ' A' ' 16' ' ' HIS . 19.3 pttp -72.37 -18.24 61.76 Favored 'General case' 0 N--CA 1.463 0.194 0 C-N-CA 121.006 -0.278 . . . . 2.1 111.202 -176.255 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 12.9 p -92.37 6.36 47.22 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.156 0.503 . . . . 1.53 110.764 179.293 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 68.2 mt -112.41 122.22 66.24 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.497 0 CA-C-N 115.77 -0.65 . . . . 0.68 109.546 176.292 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 25.4 ttpp -60.08 132.33 53.6 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.896 0.379 . . . . 2.51 110.325 178.594 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 110.43 -21.72 23.53 Favored Glycine 0 N--CA 1.447 -0.63 0 CA-C-N 115.865 -0.607 . . . . 0.79 111.896 -176.031 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 69.3 m-85 -119.68 171.86 8.09 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.916 0.388 . . . . 0.77 110.257 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -138.54 -30.35 0.77 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.97 -0.559 . . . . 2.51 111.597 176.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -142.03 170.62 24.86 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 119.8 -1.191 . . . . 0.56 112.712 -177.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.42 ' HA2' ' O ' ' A' ' 38' ' ' LYS . . . -157.04 151.49 22.85 Favored Glycine 0 N--CA 1.445 -0.747 0 C-N-CA 120.785 -0.721 . . . . 0.63 112.108 179.721 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 13.4 p90 -156.95 155.27 31.04 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.839 0.352 . . . . 1.08 110.116 177.206 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.475 ' SG ' ' HB2' ' A' ' 10' ' ' GLU . 3.4 m -80.97 105.19 12.0 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.347 -0.612 . . . . 1.1 109.347 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.74 -84.85 0.22 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.854 -0.612 . . . . 1.49 111.761 -171.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 50.2 mmtm -62.59 106.79 0.83 Allowed 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 116.283 -0.417 . . . . 2.35 111.57 -175.439 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 71.07 -2.26 19.74 Favored Glycine 0 C--N 1.331 0.258 0 CA-C-N 115.406 -0.815 . . . . 1.17 113.371 176.478 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 81.24 7.63 88.19 Favored Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 120.703 -0.761 . . . . 0.87 111.654 -173.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -98.97 -38.64 8.91 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.17 0.51 . . . . 0.98 110.606 179.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 61.9 t -84.78 111.41 20.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.901 -0.591 . . . . 0.73 111.316 -174.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 38.1 t -75.31 105.28 6.25 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.503 -0.771 . . . . 1.48 109.415 174.325 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.42 ' O ' ' HA2' ' A' ' 28' ' ' GLY . 32.1 ttmt -92.24 141.36 28.65 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 110.072 -0.344 . . . . 1.56 110.072 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 73.7 m -115.1 134.64 54.99 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 116.121 -0.49 . . . . 0.59 110.003 179.311 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 41.0 p90 . . . . . 0 C--O 1.251 1.141 0 CA-C-O 118.198 -0.906 . . . . 1.72 109.624 177.459 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 . . . . . 0 N--CA 1.455 -0.189 0 CA-C-O 121.079 0.466 . . . . 1.06 110.576 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 89.5 -26.97 8.26 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 121.054 -0.593 . . . . 0.93 111.81 -177.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.505 ' SG ' ' HB2' ' A' ' 15' ' ' CYS . 84.7 m -89.07 92.39 9.19 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 120.948 0.404 . . . . 1.42 110.52 179.361 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -120.09 34.65 5.14 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.223 -0.444 . . . . 1.57 111.308 -177.426 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 109.65 170.13 20.26 Favored Glycine 0 C--O 1.219 -0.816 0 C-N-CA 120.811 -0.709 . . . . 0.77 113.281 173.123 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.568 ' HA ' ' OE1' ' A' ' 10' ' ' GLU . 9.5 Cg_endo -54.31 -26.61 44.23 Favored 'Trans proline' 0 N--CA 1.473 0.283 0 C-N-CA 123.652 2.901 . . . . 1.07 113.41 -175.415 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -96.55 -4.97 40.34 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.01 -0.541 . . . . 4.12 110.768 -177.673 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -152.97 41.35 0.57 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.868 0.366 . . . . 1.6 110.435 -172.756 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.568 ' OE1' ' HA ' ' A' ' 7' ' ' PRO . 4.6 pt-20 -103.77 89.55 3.36 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.542 0.686 . . . . 1.62 110.875 179.479 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -80.37 91.28 5.66 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.318 -0.855 . . . . 1.78 110.318 178.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -56.4 -33.18 65.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.922 -0.581 . . . . 2.4 110.616 179.14 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.414 HD13 ' ND2' ' A' ' 17' ' ' ASN . 2.8 tm? -57.59 -52.01 67.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.951 -0.568 . . . . 0.98 110.606 179.322 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 62.6 mtp180 -60.38 -46.83 88.56 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.92 -0.582 . . . . 4.04 111.643 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.505 ' HB2' ' SG ' ' A' ' 4' ' ' CYS . 43.5 t -55.4 -48.87 73.69 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.062 0.458 . . . . 1.47 110.266 173.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 33.4 t60 -52.03 -51.46 57.3 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.699 -0.682 . . . . 0.83 111.173 175.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.414 ' ND2' HD13 ' A' ' 13' ' ' LEU . 95.8 m-20 -63.13 -36.28 83.07 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.181 -0.463 . . . . 0.58 111.317 -178.308 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.461 ' O ' HG13 ' A' ' 22' ' ' ILE . 82.4 t60 -63.52 -42.31 98.47 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.804 0.335 . . . . 1.06 110.239 177.014 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.413 ' SG ' ' HA3' ' A' ' 28' ' ' GLY . 83.1 m -72.54 -20.52 61.32 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.059 -0.518 . . . . 0.56 111.366 -179.214 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 30.1 mmmt -79.27 -27.97 42.32 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.125 0.488 . . . . 2.1 110.412 174.386 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 38.6 m -74.31 -14.6 60.92 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.725 -0.67 . . . . 1.53 110.242 175.471 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.461 HG13 ' O ' ' A' ' 18' ' ' HIS . 49.2 mt -101.8 120.39 51.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.162 -0.472 . . . . 0.68 109.848 178.154 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 35.2 ttpt -65.3 136.76 56.96 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.407 -0.36 . . . . 2.51 110.37 179.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 101.33 12.9 34.62 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.733 -0.746 . . . . 0.79 113.198 177.263 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 74.1 m-85 -137.29 158.55 44.18 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 110.129 -0.322 . . . . 0.77 110.129 177.495 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.94 -13.93 8.54 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 111.653 0.242 . . . . 2.51 111.653 179.776 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -163.84 173.93 39.95 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.028 -1.082 . . . . 0.56 112.724 179.021 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.413 ' HA3' ' SG ' ' A' ' 19' ' ' CYS . . . -154.99 152.2 23.76 Favored Glycine 0 N--CA 1.448 -0.541 0 N-CA-C 111.617 -0.593 . . . . 0.63 111.617 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.3 p90 -156.27 156.17 33.59 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.725 0.298 . . . . 1.08 110.212 -178.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.5 m -82.72 102.53 11.59 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.095 0.474 . . . . 1.1 109.73 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -85.19 -79.67 0.23 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.931 -0.577 . . . . 1.49 111.862 -171.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp -67.76 105.59 1.98 Allowed 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 111.964 0.357 . . . . 2.35 111.964 -174.176 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 66.42 11.45 56.39 Favored Glycine 0 C--N 1.33 0.202 0 CA-C-N 115.569 -0.742 . . . . 1.17 113.32 174.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 73.6 9.78 78.83 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.749 -0.738 . . . . 0.87 112.169 -176.392 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 80.9 m-85 -103.93 -37.11 7.53 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 122.544 -0.386 . . . . 0.98 111.428 -179.218 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 45.8 t -92.05 110.9 23.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-O 120.992 0.425 . . . . 0.73 111.215 -173.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 15.8 t -73.79 121.62 21.14 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.527 -0.76 . . . . 1.48 109.813 176.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.408 ' O ' ' HA2' ' A' ' 28' ' ' GLY . 37.2 ttpt -115.84 144.5 43.92 Favored 'General case' 0 CA--C 1.512 -0.494 0 CA-C-O 120.973 0.416 . . . . 1.56 110.547 178.542 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 68.5 m -111.87 137.61 49.6 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.345 -0.843 . . . . 0.59 110.169 -178.494 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 17.0 p90 . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.284 -0.865 . . . . 1.72 110.136 178.323 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 . . . . . 0 N--CA 1.452 -0.337 0 CA-C-O 121.311 0.577 . . . . 1.06 109.639 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 141.82 -42.63 1.13 Allowed Glycine 0 N--CA 1.444 -0.775 0 N-CA-C 109.82 -1.312 . . . . 0.93 109.82 -171.092 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.647 ' HA ' ' HA ' ' A' ' 10' ' ' GLU . 30.7 m -84.35 94.02 8.38 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.435 -0.579 . . . . 1.42 109.435 172.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 -123.57 48.88 1.78 Allowed 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.358 -0.383 . . . . 1.57 110.765 -173.424 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 154.28 166.48 15.05 Favored Glycine 0 N--CA 1.446 -0.68 0 C-N-CA 120.534 -0.841 . . . . 0.77 112.16 179.564 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -73.58 -35.13 4.96 Favored 'Trans proline' 0 N--CA 1.466 -0.135 0 C-N-CA 122.456 2.104 . . . . 1.07 110.974 173.488 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 8.1 p-90 -97.17 -5.44 37.1 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.259 -0.882 . . . . 4.12 109.812 176.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 63.2 t30 -128.1 32.28 4.93 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.714 0.768 . . . . 1.6 110.096 -172.066 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.647 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 1.2 pt-20 -92.21 101.6 14.11 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.656 -0.702 . . . . 1.62 110.479 177.497 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -104.08 111.58 24.22 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.18 -0.464 . . . . 1.78 110.426 178.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -74.55 -14.03 60.75 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.912 -0.586 . . . . 2.4 111.387 -176.06 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.447 HD12 ' ND2' ' A' ' 17' ' ' ASN . 0.1 OUTLIER -73.51 -51.72 16.06 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 121.131 -0.227 . . . . 0.98 110.426 -174.459 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.35 -40.73 78.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.541 -0.3 . . . . 4.04 110.918 179.476 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.481 ' HB3' ' HB3' ' A' ' 37' ' ' CYS . 67.6 m -70.44 -34.62 72.67 Favored 'General case' 0 N--CA 1.444 -0.754 0 CA-C-N 116.538 -0.301 . . . . 1.47 111.323 178.245 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 49.6 t60 -60.12 -50.77 72.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.89 0.376 . . . . 0.83 110.093 172.016 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.447 ' ND2' HD12 ' A' ' 13' ' ' LEU . 95.0 m-20 -62.34 -39.91 94.66 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.702 -0.681 . . . . 0.58 110.494 179.356 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 4.3 t-80 -53.73 -67.07 0.29 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.684 -0.689 . . . . 1.06 111.058 174.086 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.4 ' SG ' ' HA3' ' A' ' 28' ' ' GLY . 80.7 m -57.33 -40.0 77.03 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.106 -0.952 . . . . 0.56 112.612 -173.268 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 51.9 pttt -72.68 -11.84 60.79 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.535 -0.466 . . . . 2.1 111.178 -177.433 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.7 m -89.84 -0.02 57.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.241 0.543 . . . . 1.53 110.021 176.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 61.2 mt -106.7 129.16 60.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.619 -0.719 . . . . 0.68 109.326 176.175 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 17.9 ttmm -63.3 129.9 42.22 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.942 -0.392 . . . . 2.51 109.942 -179.435 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 105.4 -13.14 47.75 Favored Glycine 0 N--CA 1.446 -0.656 0 C-N-CA 120.988 -0.625 . . . . 0.79 112.18 -177.002 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 50.8 m-85 -128.52 151.72 49.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.655 0.264 . . . . 0.77 110.71 -179.647 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.56 6.49 3.5 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.426 -0.352 . . . . 2.51 111.713 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.499 ' HA3' ' CE2' ' A' ' 40' ' ' TYR . . . -168.94 165.8 39.2 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.28 -0.962 . . . . 0.56 112.625 177.538 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.474 ' HA2' ' O ' ' A' ' 38' ' ' LYS . . . -161.87 146.18 11.77 Favored Glycine 0 N--CA 1.449 -0.487 0 N-CA-C 111.563 -0.615 . . . . 0.63 111.563 -178.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.568 ' O ' ' HA ' ' A' ' 37' ' ' CYS . 50.8 p90 -148.36 157.97 43.81 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 110.286 -0.264 . . . . 1.08 110.286 -177.158 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -70.98 103.11 2.58 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.263 -0.643 . . . . 1.1 109.263 178.114 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -95.71 -89.0 0.26 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.57 0.224 . . . . 1.49 111.53 -174.439 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -68.19 114.28 6.54 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-O 120.875 0.369 . . . . 2.35 110.955 -173.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 72.43 -0.21 42.97 Favored Glycine 0 N--CA 1.452 -0.246 0 CA-C-N 115.641 -0.709 . . . . 1.17 112.755 178.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 78.12 11.3 85.5 Favored Glycine 0 N--CA 1.447 -0.633 0 C-N-CA 120.767 -0.73 . . . . 0.87 111.703 -174.169 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -113.3 -43.98 3.29 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.037 0.446 . . . . 0.98 110.762 -179.038 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 86.8 t -78.31 104.2 6.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.926 -0.579 . . . . 0.73 110.556 -176.666 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.568 ' HA ' ' O ' ' A' ' 29' ' ' TYR . 85.6 m -77.08 107.16 9.24 Favored 'General case' 0 N--CA 1.44 -0.947 0 CA-C-N 115.935 -0.575 . . . . 1.48 110.784 179.515 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.499 ' HD2' ' N ' ' A' ' 39' ' ' CYS . 2.2 tmmm? -85.59 129.83 34.72 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.733 -0.667 . . . . 1.56 109.447 -178.444 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.499 ' N ' ' HD2' ' A' ' 38' ' ' LYS . 61.1 m -99.44 134.3 42.51 Favored 'General case' 0 C--N 1.31 -1.143 0 CA-C-N 115.0 -1.0 . . . . 0.59 110.131 -177.552 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.499 ' CE2' ' HA3' ' A' ' 27' ' ' GLY . 14.1 p90 . . . . . 0 C--O 1.246 0.881 0 CA-C-O 118.414 -0.803 . . . . 1.72 110.332 179.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 55.1 m-85 . . . . . 0 N--CA 1.452 -0.372 0 CA-C-O 121.287 0.565 . . . . 1.06 109.933 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . 0.501 ' HA2' ' CZ ' ' A' ' 14' ' ' ARG . . . 90.77 -42.32 2.89 Favored Glycine 0 N--CA 1.444 -0.8 0 N-CA-C 110.935 -0.866 . . . . 0.93 110.935 -174.796 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 40.5 t -85.55 115.81 23.47 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-N 115.248 -0.476 . . . . 1.42 109.852 174.301 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 39.0 m-80 -125.21 38.37 4.2 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.882 -0.599 . . . . 1.57 109.843 -179.399 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . 0.456 ' HA2' ' O ' ' A' ' 34' ' ' GLY . . . 92.67 175.59 41.47 Favored Glycine 0 N--CA 1.444 -0.821 0 C-N-CA 120.758 -0.734 . . . . 0.77 113.153 176.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -35.91 -37.45 0.23 Allowed 'Trans proline' 0 CA--C 1.53 0.288 1 C-N-CA 125.322 4.015 . . . . 1.07 114.984 -179.378 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -86.38 -5.08 59.25 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.985 -0.552 . . . . 4.12 111.919 -171.284 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 47.0 t30 -170.2 56.24 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.459 0.647 . . . . 1.6 109.592 -178.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.79 65.69 3.05 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.998 -0.546 . . . . 1.62 111.137 -177.512 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -73.23 106.87 5.25 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.944 -0.571 . . . . 1.78 109.932 178.305 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -72.08 -32.41 67.01 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.654 -0.703 . . . . 2.4 111.121 -176.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.416 HD12 HD21 ' A' ' 17' ' ' ASN . 0.1 OUTLIER -64.12 -49.65 71.37 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 116.442 -0.345 . . . . 0.98 111.042 -173.755 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.501 ' CZ ' ' HA2' ' A' ' 3' ' ' GLY . 83.2 mtp180 -53.15 -50.34 64.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.833 0.349 . . . . 4.04 111.465 178.739 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.6 t -63.79 -42.01 97.82 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.229 -0.441 . . . . 1.47 110.697 177.287 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.411 ' O ' ' HG3' ' A' ' 20' ' ' LYS . 66.4 t60 -54.81 -43.83 73.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.908 -0.587 . . . . 0.83 109.989 175.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.416 HD21 HD12 ' A' ' 13' ' ' LEU . 94.9 m-20 -64.91 -45.48 85.74 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.743 -0.662 . . . . 0.58 110.816 176.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 83.8 t60 -57.07 -48.1 79.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.856 -0.611 . . . . 1.06 111.085 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.527 ' O ' ' HB2' ' A' ' 25' ' ' TYR . 84.8 m -67.32 -30.53 70.39 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.173 -0.467 . . . . 0.56 111.368 -177.7 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.411 ' HG3' ' O ' ' A' ' 16' ' ' HIS . 59.3 mtpt -72.19 -32.36 66.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.741 0.305 . . . . 2.1 110.832 178.228 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 18.1 t -65.42 -27.24 68.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.241 0.543 . . . . 1.53 109.818 177.138 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 46.6 mt -88.71 116.6 30.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.775 -0.648 . . . . 0.68 109.364 174.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 35.6 ttmt -63.25 131.51 48.62 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-O 121.432 0.634 . . . . 2.51 110.867 -178.027 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 114.55 -14.94 20.11 Favored Glycine 0 N--CA 1.446 -0.684 0 CA-C-N 115.038 -0.983 . . . . 0.79 112.289 -177.311 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.527 ' HB2' ' O ' ' A' ' 19' ' ' CYS . 60.3 m-85 -123.44 154.48 39.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.917 0.389 . . . . 0.77 111.093 -178.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.403 ' HG2' ' OXT' ' A' ' 40' ' ' TYR . 0.0 OUTLIER -119.15 -8.27 10.18 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.789 -0.641 . . . . 2.51 111.31 -179.174 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 174.76 -176.41 46.98 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.493 -0.861 . . . . 0.56 112.174 178.584 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -139.23 175.88 21.35 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.845 -0.693 . . . . 0.63 112.095 179.444 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.476 ' O ' ' HA ' ' A' ' 37' ' ' CYS . 15.9 p90 -155.48 140.66 17.51 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.834 0.349 . . . . 1.08 110.418 176.631 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 8.3 m -73.39 99.04 2.85 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.942 -0.572 . . . . 1.1 110.184 177.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.416 ' HB2' ' CE2' ' A' ' 29' ' ' TYR . . . -92.33 -82.17 0.33 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.291 -0.413 . . . . 1.49 111.843 -173.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -59.52 106.97 0.52 Allowed 'General case' 0 C--O 1.235 0.309 0 CA-C-N 116.336 -0.393 . . . . 2.35 111.293 -174.177 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 67.64 6.12 41.11 Favored Glycine 0 N--CA 1.451 -0.308 0 CA-C-N 115.818 -0.628 . . . . 1.17 113.009 177.356 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.456 ' O ' ' HA2' ' A' ' 6' ' ' GLY . . . 76.93 8.5 86.73 Favored Glycine 0 N--CA 1.446 -0.667 0 C-N-CA 120.663 -0.78 . . . . 0.87 112.138 -175.192 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 71.4 m-85 -105.28 -43.34 5.03 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.058 0.456 . . . . 0.98 111.021 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 59.1 t -85.37 105.17 13.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.04 -0.527 . . . . 0.73 110.664 -173.536 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.476 ' HA ' ' O ' ' A' ' 29' ' ' TYR . 18.4 t -83.29 125.37 31.54 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.099 -0.5 . . . . 1.48 110.177 179.693 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.571 ' HD2' ' N ' ' A' ' 39' ' ' CYS . 0.0 OUTLIER -114.14 140.82 48.2 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.804 -0.635 . . . . 1.56 109.313 -179.275 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.571 ' N ' ' HD2' ' A' ' 38' ' ' LYS . 82.8 m -87.96 154.91 20.13 Favored 'General case' 0 C--N 1.311 -1.081 0 CA-C-N 115.763 -0.653 . . . . 0.59 111.273 -176.047 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.403 ' OXT' ' HG2' ' A' ' 26' ' ' LYS . 36.3 p90 . . . . . 0 C--O 1.25 1.127 0 CA-C-O 118.853 -0.594 . . . . 1.72 109.575 176.656 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 46.7 m-85 . . . . . 0 N--CA 1.451 -0.418 0 CA-C-O 121.19 0.519 . . . . 1.06 109.919 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 92.6 -40.89 2.8 Favored Glycine 0 N--CA 1.448 -0.512 0 N-CA-C 111.216 -0.754 . . . . 0.93 111.216 -176.396 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.413 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 34.6 t -68.45 102.76 1.5 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.035 0.445 . . . . 1.42 110.066 177.184 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 31.3 m-80 -111.26 13.38 21.71 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.917 -0.583 . . . . 1.57 110.675 -179.112 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 113.03 -171.33 13.82 Favored Glycine 0 N--CA 1.443 -0.869 0 C-N-CA 120.542 -0.837 . . . . 0.77 112.36 178.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_endo -57.62 -31.32 91.5 Favored 'Trans proline' 0 N--CA 1.473 0.302 0 C-N-CA 123.313 2.675 . . . . 1.07 113.606 -173.625 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 3.0 p-90 -75.32 -13.94 60.45 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.821 0.343 . . . . 4.12 111.313 -178.496 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -168.83 76.04 0.11 Allowed 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.652 -0.499 . . . . 1.6 109.652 -179.341 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.439 ' HB3' ' SG ' ' A' ' 30' ' ' CYS . 39.9 mt-10 -78.1 -25.34 47.47 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.989 0.423 . . . . 1.62 110.195 -179.327 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.7 t70 60.93 -165.5 0.22 Allowed 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.4 -0.818 . . . . 1.78 109.818 179.045 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -171.35 -45.84 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 109.644 -0.502 . . . . 2.4 109.644 -179.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.1 -48.37 78.85 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.47 -0.786 . . . . 0.98 110.247 -178.097 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -62.78 -45.01 94.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.122 -0.49 . . . . 4.04 111.525 -178.31 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.462 ' HB3' ' HB3' ' A' ' 37' ' ' CYS . 91.4 m -58.5 -45.2 89.25 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-O 121.471 0.653 . . . . 1.47 109.979 174.772 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.4 ' NE2' ' HD3' ' A' ' 20' ' ' LYS . 75.0 t60 -60.97 -46.21 91.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.171 -0.922 . . . . 0.83 111.089 178.046 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -56.13 -51.8 66.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.435 . . . . 0.58 111.627 -179.061 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 74.6 t60 -58.43 -43.26 88.65 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.121 -0.491 . . . . 1.06 111.404 -178.135 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 68.8 m -78.42 -28.88 46.88 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 112.077 0.399 . . . . 0.56 112.077 -175.246 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.4 ' HD3' ' NE2' ' A' ' 16' ' ' HIS . 18.3 pttp -81.55 -11.63 59.09 Favored 'General case' 0 N--CA 1.462 0.171 0 C-N-CA 120.546 -0.462 . . . . 2.1 110.698 -179.805 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 29.4 t -75.27 -21.71 58.33 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.343 -0.614 . . . . 1.53 109.343 174.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 28.8 mt -97.32 136.47 28.02 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.55 0 CA-C-N 115.328 -0.851 . . . . 0.68 109.375 179.191 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 56.1 tttt -83.41 132.49 34.97 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 121.297 0.57 . . . . 2.51 110.264 178.435 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 116.23 -16.28 15.18 Favored Glycine 0 N--CA 1.446 -0.653 0 CA-C-N 115.072 -0.967 . . . . 0.79 111.124 -174.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 76.7 m-85 -122.03 153.18 38.94 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 110.123 -0.325 . . . . 0.77 110.123 178.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.84 20.75 4.59 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.793 0.33 . . . . 2.51 111.615 -178.115 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 166.1 171.71 32.59 Favored Glycine 0 N--CA 1.444 -0.833 0 C-N-CA 120.109 -1.044 . . . . 0.56 113.138 176.414 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.576 ' HA2' ' O ' ' A' ' 38' ' ' LYS . . . -149.85 149.02 20.88 Favored Glycine 0 N--CA 1.447 -0.624 0 N-CA-C 111.611 -0.596 . . . . 0.63 111.611 179.449 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.9 p90 -156.42 154.51 30.58 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 110.269 -0.271 . . . . 1.08 110.269 -179.031 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.439 ' SG ' ' HB3' ' A' ' 10' ' ' GLU . 33.7 m -65.46 117.77 8.45 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 110.161 -0.311 . . . . 1.1 110.161 178.762 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -134.98 -73.71 0.47 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.463 -0.335 . . . . 1.49 111.466 -179.074 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -61.24 112.53 2.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.3 -0.409 . . . . 2.35 110.561 -178.066 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 74.03 -8.85 10.54 Favored Glycine 0 CA--C 1.52 0.382 0 C-N-CA 121.202 -0.523 . . . . 1.17 112.634 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 80.67 4.87 90.22 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 121.383 -0.436 . . . . 0.87 112.606 -177.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -123.69 -8.28 7.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.863 0.364 . . . . 0.98 111.421 -178.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 71.3 t -103.63 121.68 55.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.429 -0.35 . . . . 0.73 111.416 -177.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.462 ' HB3' ' HB3' ' A' ' 15' ' ' CYS . 45.1 m -69.63 95.35 0.85 Allowed 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 116.155 -0.475 . . . . 1.48 109.888 172.428 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.576 ' O ' ' HA2' ' A' ' 28' ' ' GLY . 25.9 ttmt -73.43 138.68 45.36 Favored 'General case' 0 CA--C 1.514 -0.43 0 N-CA-C 109.625 -0.509 . . . . 1.56 109.625 177.738 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 60.3 m -100.21 133.91 43.91 Favored 'General case' 0 C--N 1.315 -0.935 0 CA-C-N 115.982 -0.554 . . . . 0.59 110.03 -179.52 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 21.5 p90 . . . . . 0 C--O 1.247 0.933 0 CA-C-O 118.462 -0.78 . . . . 1.72 110.309 -179.654 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 . . . . . 0 N--CA 1.454 -0.273 0 CA-C-O 121.537 0.684 . . . . 1.06 109.799 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . 0.415 ' C ' ' HB2' ' A' ' 11' ' ' ASP . . . 86.08 -49.31 4.09 Favored Glycine 0 N--CA 1.445 -0.75 0 CA-C-N 115.042 -0.981 . . . . 0.93 111.159 -176.667 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 49.8 t -70.02 127.54 33.21 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.428 -0.386 . . . . 1.42 110.165 178.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 46.0 m-80 -136.14 34.75 2.81 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.064 0.459 . . . . 1.57 110.664 179.591 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 119.36 170.34 14.53 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.768 -0.729 . . . . 0.77 112.491 177.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_exo -54.89 -37.69 92.87 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 123.265 2.644 . . . . 1.07 111.944 -178.549 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -64.91 -27.52 68.91 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 114.975 -1.011 . . . . 4.12 111.028 -178.353 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -139.65 67.13 1.39 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.328 0.585 . . . . 1.6 109.972 -177.474 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -85.19 80.57 9.16 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.604 -0.726 . . . . 1.62 110.419 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.415 ' HB2' ' C ' ' A' ' 3' ' ' GLY . 1.0 OUTLIER -65.9 90.15 0.13 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.361 0.601 . . . . 1.78 110.47 175.64 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -68.6 -38.11 80.34 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.087 -0.961 . . . . 2.4 111.225 -174.473 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.46 HD12 ' ND2' ' A' ' 17' ' ' ASN . 0.1 OUTLIER -72.55 -40.67 66.51 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 110.247 -0.279 . . . . 0.98 110.247 -175.565 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 25.6 mmm180 -55.06 -54.17 46.47 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.522 -0.308 . . . . 4.04 110.709 175.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.6 t -60.67 -42.57 97.34 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.0 -0.545 . . . . 1.47 110.324 176.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.435 ' HA ' ' H ' ' A' ' 28' ' ' GLY . 50.8 t60 -57.23 -47.27 81.77 Favored 'General case' 0 CA--C 1.528 0.132 0 CA-C-N 115.976 -0.556 . . . . 0.83 110.543 177.413 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.46 ' ND2' HD12 ' A' ' 13' ' ' LEU . 82.7 m-20 -63.34 -41.52 98.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.907 -0.588 . . . . 0.58 110.986 179.192 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 71.1 t60 -59.65 -44.68 93.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.934 -0.576 . . . . 1.06 110.784 178.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 76.7 m -78.24 -24.98 46.7 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.291 -0.413 . . . . 0.56 111.676 -177.242 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.401 ' HG3' ' O ' ' A' ' 16' ' ' HIS . 58.0 mtpt -66.43 -32.69 74.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.925 0.393 . . . . 2.1 110.018 173.374 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 23.1 t -66.57 -27.53 67.8 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.706 -0.679 . . . . 1.53 110.172 177.535 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 45.6 mt -86.2 111.45 21.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.109 -0.496 . . . . 0.68 110.045 178.392 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 22.3 ttmm -59.3 135.19 57.57 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.339 -0.392 . . . . 2.51 110.404 -179.569 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 111.31 -35.6 4.66 Favored Glycine 0 N--CA 1.446 -0.641 0 CA-C-N 115.69 -0.686 . . . . 0.79 111.584 -176.26 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 71.8 m-85 -103.02 161.5 13.71 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 110.251 -0.277 . . . . 0.77 110.251 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -124.97 4.82 7.99 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.718 0.294 . . . . 2.51 111.248 179.281 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 168.63 -178.39 42.11 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.477 -0.868 . . . . 0.56 112.265 177.582 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.435 ' H ' ' HA ' ' A' ' 16' ' ' HIS . . . -157.82 165.39 33.59 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.847 -0.692 . . . . 0.63 112.074 -178.617 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 7.9 p90 -148.82 167.23 26.2 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.866 0.365 . . . . 1.08 110.807 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 57.0 m -77.76 97.91 5.35 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.828 -0.624 . . . . 1.1 110.685 -179.296 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -100.24 -175.73 3.02 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.741 -0.663 . . . . 1.49 110.769 -178.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt 55.16 50.93 14.14 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 115.904 -0.589 . . . . 2.35 111.411 177.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 92.69 4.34 65.63 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.983 -0.627 . . . . 1.17 112.17 179.011 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 86.21 42.84 6.48 Favored Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 120.82 -0.705 . . . . 0.87 112.194 -178.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -134.03 -46.86 0.78 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.851 0.357 . . . . 0.98 111.525 -178.529 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 58.1 t -84.2 128.56 38.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.297 -0.411 . . . . 0.73 111.252 -174.113 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 41.1 t -76.66 93.31 3.61 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.264 -0.425 . . . . 1.48 109.872 178.344 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 32.8 ttpt -94.87 144.67 25.47 Favored 'General case' 0 CA--C 1.512 -0.492 0 N-CA-C 110.002 -0.37 . . . . 1.56 110.002 -179.608 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 60.8 m -107.8 142.53 37.69 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-N 115.949 -0.568 . . . . 0.59 111.147 -173.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 21.8 p90 . . . . . 0 C--O 1.25 1.111 0 CA-C-O 118.771 -0.633 . . . . 1.72 110.248 177.657 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . 0.433 ' O ' ' HB3' ' A' ' 14' ' ' ARG . 79.5 m-85 . . . . . 0 N--CA 1.45 -0.431 0 CA-C-O 121.005 0.431 . . . . 1.06 111.082 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . 0.432 ' HA3' ' CB ' ' A' ' 14' ' ' ARG . . . 151.4 -32.89 0.93 Allowed Glycine 0 N--CA 1.445 -0.703 0 CA-C-N 115.914 -0.584 . . . . 0.93 111.924 179.429 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.47 ' C ' HD22 ' A' ' 5' ' ' ASN . 11.4 t -86.89 135.39 33.33 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.683 0.278 . . . . 1.42 110.41 -179.01 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . 0.47 HD22 ' C ' ' A' ' 4' ' ' CYS . 0.9 OUTLIER -121.18 1.65 10.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.617 0.246 . . . . 1.57 111.429 -177.904 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 133.53 176.62 14.48 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.691 -0.766 . . . . 0.77 111.665 -177.203 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_endo -57.17 -29.15 82.44 Favored 'Trans proline' 0 C--O 1.233 0.24 0 C-N-CA 123.198 2.599 . . . . 1.07 112.54 -178.684 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 7.0 p-90 -69.67 -27.01 64.66 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.725 -0.671 . . . . 4.12 110.664 178.001 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -144.92 72.24 1.33 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.8 -0.636 . . . . 1.6 109.604 -174.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -91.56 109.2 20.5 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.441 -0.8 . . . . 1.62 110.677 -179.593 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -107.04 73.72 0.95 Allowed 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.791 -0.64 . . . . 1.78 109.997 176.707 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -60.69 -28.67 68.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.314 -0.857 . . . . 2.4 110.411 -178.472 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.461 HD12 ' ND2' ' A' ' 17' ' ' ASN . 0.1 OUTLIER -62.32 -47.25 85.09 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 116.138 -0.483 . . . . 0.98 109.918 178.785 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.433 ' HB3' ' O ' ' A' ' 2' ' ' PHE . 19.7 mmm180 -57.02 -48.93 77.32 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.092 -0.503 . . . . 4.04 111.109 176.386 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 38.4 m -56.08 -46.69 78.92 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-N 115.767 -0.651 . . . . 1.47 110.337 175.512 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.489 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 75.0 t60 -57.16 -51.13 70.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.919 -0.582 . . . . 0.83 110.925 176.583 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.461 ' ND2' HD12 ' A' ' 13' ' ' LEU . 91.5 m-20 -61.11 -32.63 72.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.388 -0.369 . . . . 0.58 111.448 -178.313 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 78.9 t60 -71.86 -46.77 56.78 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.845 0.355 . . . . 1.06 110.829 176.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 84.2 m -71.74 -29.6 64.7 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.216 -0.447 . . . . 0.56 111.813 -174.707 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.489 ' HG2' ' O ' ' A' ' 16' ' ' HIS . 21.5 ptmt -78.04 -4.62 48.12 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 121.021 0.439 . . . . 2.1 110.582 177.129 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 25.3 t -89.46 -3.95 58.18 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.248 -0.649 . . . . 1.53 109.248 173.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 50.8 mt -111.89 126.22 69.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.435 -0.802 . . . . 0.68 109.513 179.248 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -63.73 136.83 57.76 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.899 0.381 . . . . 2.51 110.779 -178.552 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 103.58 -38.0 3.46 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 121.076 -0.583 . . . . 0.79 112.1 179.24 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 83.0 m-85 -88.82 148.62 23.81 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.723 0.297 . . . . 0.77 110.338 -178.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -116.73 -20.88 9.33 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.299 -0.41 . . . . 2.51 111.718 -177.347 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.429 ' HA3' ' CZ ' ' A' ' 40' ' ' TYR . . . -153.92 174.89 32.37 Favored Glycine 0 N--CA 1.444 -0.773 0 C-N-CA 119.315 -1.421 . . . . 0.56 113.913 -177.404 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.532 ' HA2' ' O ' ' A' ' 38' ' ' LYS . . . -156.38 153.65 24.9 Favored Glycine 0 N--CA 1.444 -0.787 0 N-CA-C 111.106 -0.798 . . . . 0.63 111.106 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 6.8 p90 -164.45 166.41 20.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.83 0.315 . . . . 1.08 110.325 -177.502 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 62.9 m -78.09 100.93 6.74 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 121.297 0.57 . . . . 1.1 110.969 -179.696 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -117.83 -166.83 1.24 Allowed 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.53 -0.759 . . . . 1.49 109.633 177.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.424 ' HB3' ' HB ' ' A' ' 36' ' ' VAL . 26.2 tptp 57.06 52.25 9.38 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-O 121.719 0.771 . . . . 2.35 109.779 178.032 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 95.08 -11.2 69.6 Favored Glycine 0 N--CA 1.45 -0.427 0 CA-C-N 115.393 -0.821 . . . . 1.17 111.758 -177.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 95.73 33.0 6.59 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 121.067 -0.587 . . . . 0.87 111.917 -178.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -129.1 -38.87 1.59 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.129 0.49 . . . . 0.98 111.051 -178.13 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.424 ' HB ' ' HB3' ' A' ' 32' ' ' LYS . 95.8 t -88.61 130.01 38.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.867 -0.606 . . . . 0.73 111.252 -173.372 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 93.6 m -74.58 87.82 2.14 Favored 'General case' 0 N--CA 1.444 -0.745 0 CA-C-N 116.016 -0.538 . . . . 1.48 110.379 175.519 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.532 ' O ' ' HA2' ' A' ' 28' ' ' GLY . 37.7 ttmt -72.03 144.33 48.82 Favored 'General case' 0 CA--C 1.513 -0.446 0 N-CA-C 110.057 -0.349 . . . . 1.56 110.057 178.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 85.7 m -110.45 134.35 52.42 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 115.804 -0.635 . . . . 0.59 109.648 176.269 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.429 ' CZ ' ' HA3' ' A' ' 27' ' ' GLY . 42.0 p90 . . . . . 0 C--O 1.25 1.108 0 CA-C-O 118.563 -0.732 . . . . 1.72 109.778 178.39 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . 0.588 ' O ' ' HB3' ' A' ' 14' ' ' ARG . 22.3 m-85 . . . . . 0 N--CA 1.471 0.604 0 N-CA-C 111.994 0.368 . . . . 1.06 111.994 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . 0.566 ' HA3' ' CB ' ' A' ' 14' ' ' ARG . . . 144.22 -13.69 2.09 Favored Glycine 0 N--CA 1.443 -0.893 0 N-CA-C 110.916 -0.874 . . . . 0.93 110.916 -175.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.401 ' HA ' ' HA ' ' A' ' 10' ' ' GLU . 88.0 m -92.69 126.53 37.82 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.922 0.391 . . . . 1.42 111.238 176.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 38.1 m-80 -127.64 29.74 5.43 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.464 0.65 . . . . 1.57 109.931 176.469 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . 0.519 ' O ' ' HG3' ' A' ' 10' ' ' GLU . . . 117.7 164.05 13.08 Favored Glycine 0 C--O 1.223 -0.552 0 CA-C-N 115.248 -0.887 . . . . 0.77 112.078 178.49 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -64.83 -15.3 49.61 Favored 'Trans proline' 0 N--CA 1.472 0.22 0 C-N-CA 123.086 2.524 . . . . 1.07 112.317 -177.326 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 12.1 p-90 -89.64 -14.8 34.11 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.282 -0.872 . . . . 4.12 110.545 177.172 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -153.79 55.92 0.73 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.564 0.697 . . . . 1.6 111.021 -172.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.519 ' HG3' ' O ' ' A' ' 6' ' ' GLY . 0.0 OUTLIER -103.4 133.05 49.1 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.182 -0.463 . . . . 1.62 110.307 173.076 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.475 ' OD2' ' HG2' ' A' ' 14' ' ' ARG . 19.8 t70 -102.45 115.42 30.53 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.053 0.454 . . . . 1.78 110.884 -176.268 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -66.89 -32.39 73.61 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.428 -0.806 . . . . 2.4 111.033 -176.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.425 HD12 ' ND2' ' A' ' 17' ' ' ASN . 0.1 OUTLIER -68.83 -43.4 75.6 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.879 -0.6 . . . . 0.98 109.793 -177.721 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.588 ' HB3' ' O ' ' A' ' 2' ' ' PHE . 24.6 mmm180 -55.28 -53.6 54.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.911 -0.586 . . . . 4.04 111.105 176.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 66.2 m -54.46 -42.52 70.75 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 116.383 -0.371 . . . . 1.47 110.694 176.54 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 57.6 t60 -59.2 -52.89 63.75 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.403 -0.362 . . . . 0.83 110.751 175.594 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.425 ' ND2' HD12 ' A' ' 13' ' ' LEU . 92.7 m-20 -60.12 -41.06 91.82 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.14 -0.482 . . . . 0.58 111.316 -178.026 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 84.2 t60 -62.64 -48.05 81.06 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.842 -0.617 . . . . 1.06 111.127 179.302 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 74.7 m -77.98 -31.82 50.94 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 112.455 0.539 . . . . 0.56 112.455 -174.556 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 58.3 pttt -69.79 -20.38 63.47 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.962 0.41 . . . . 2.1 110.404 -179.442 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 29.2 t -85.3 -2.2 57.8 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 115.931 -0.577 . . . . 1.53 110.087 179.205 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 54.8 mt -109.68 115.31 49.31 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.508 0 CA-C-N 115.816 -0.629 . . . . 0.68 109.424 177.55 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 26.3 ttpp -55.68 133.63 50.83 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.922 0.391 . . . . 2.51 110.378 -179.24 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 109.63 -34.05 5.71 Favored Glycine 0 N--CA 1.448 -0.531 0 CA-C-N 115.758 -0.655 . . . . 0.79 111.884 -176.142 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -112.05 150.59 30.44 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.764 -0.458 . . . . 0.77 109.764 -179.392 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.402 ' HG3' ' HE2' ' A' ' 40' ' ' TYR . 0.0 OUTLIER -117.02 -6.0 11.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.328 0.585 . . . . 2.51 110.695 179.871 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 179.77 179.19 48.77 Favored Glycine 0 N--CA 1.445 -0.711 0 C-N-CA 120.957 -0.639 . . . . 0.56 111.558 -179.279 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -160.38 170.23 36.35 Favored Glycine 0 N--CA 1.445 -0.762 0 C-N-CA 120.364 -0.922 . . . . 0.63 112.419 -178.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 8.9 p90 -143.13 152.34 41.7 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 110.057 -0.349 . . . . 1.08 110.057 -179.226 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.5 t -80.48 120.38 24.4 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.128 0.489 . . . . 1.1 110.543 -177.064 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -136.66 -166.58 1.92 Allowed 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.626 -0.715 . . . . 1.49 110.247 -178.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 47.2 mmtm 53.89 58.71 4.82 Favored 'General case' 0 C--O 1.233 0.188 0 O-C-N 123.668 0.605 . . . . 2.35 111.226 179.426 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 94.58 -6.18 70.64 Favored Glycine 0 N--CA 1.447 -0.622 0 CA-C-N 115.53 -0.759 . . . . 1.17 111.689 -179.105 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 84.23 38.06 10.45 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.985 -0.626 . . . . 0.87 112.126 -178.576 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.432 ' CE2' ' HA2' ' A' ' 6' ' ' GLY . 96.9 m-85 -134.23 -21.93 1.8 Allowed 'General case' 0 C--O 1.233 0.215 0 N-CA-C 112.062 0.393 . . . . 0.98 112.062 178.796 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 61.6 t -98.54 113.64 33.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 C-N-CA 121.04 -0.264 . . . . 0.73 111.354 -175.073 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 51.7 m -71.36 78.19 0.75 Allowed 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 116.31 -0.404 . . . . 1.48 110.392 173.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 19.7 ttpp -72.84 144.82 47.32 Favored 'General case' 0 CA--C 1.514 -0.411 0 CA-C-O 120.901 0.381 . . . . 1.56 110.24 -177.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 59.0 m -104.4 160.98 14.47 Favored 'General case' 0 C--N 1.313 -1.007 0 CA-C-N 115.77 -0.65 . . . . 0.59 110.46 -175.305 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.402 ' HE2' ' HG3' ' A' ' 26' ' ' LYS . 4.4 p90 . . . . . 0 C--O 1.25 1.118 0 CA-C-O 118.746 -0.645 . . . . 1.72 110.557 176.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 63.5 m-85 . . . . . 0 N--CA 1.451 -0.422 0 N-CA-C 109.391 -0.596 . . . . 1.06 109.391 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . 0.481 ' O ' ' HB2' ' A' ' 11' ' ' ASP . . . 93.5 46.46 3.23 Favored Glycine 0 N--CA 1.442 -0.921 0 N-CA-C 110.765 -0.934 . . . . 0.93 110.765 -172.315 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 45.3 t -161.57 95.01 0.99 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.136 -0.532 . . . . 1.42 109.895 -178.181 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 35.4 m-80 -108.72 33.83 4.0 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.167 0.508 . . . . 1.57 110.717 -177.642 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 109.78 171.94 20.41 Favored Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.894 -0.669 . . . . 0.77 112.717 176.215 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -53.96 -29.09 52.54 Favored 'Trans proline' 0 C--O 1.233 0.257 0 C-N-CA 123.536 2.824 . . . . 1.07 113.185 -176.497 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 25.5 p-90 -81.66 -19.36 41.84 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.287 -0.415 . . . . 4.12 110.965 -179.165 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -144.51 47.96 1.36 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.272 0.558 . . . . 1.6 110.585 -173.205 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -99.75 96.5 7.65 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.739 -0.664 . . . . 1.62 110.44 178.806 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.481 ' HB2' ' O ' ' A' ' 3' ' ' GLY . 10.1 m-20 -62.02 -45.05 95.29 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.543 -0.54 . . . . 1.78 109.543 175.697 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.2 t70 73.41 -37.45 0.38 Allowed 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 124.218 1.007 . . . . 2.4 111.236 173.321 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.452 ' H ' ' C ' ' A' ' 11' ' ' ASP . 0.1 OUTLIER -69.82 -42.29 73.84 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.219 -0.901 . . . . 0.98 109.427 -179.477 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 67.6 mtp180 -57.38 -46.36 83.48 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.157 -0.929 . . . . 4.04 111.312 178.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 88.3 m -60.06 -40.89 91.03 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.874 0.369 . . . . 1.47 110.935 174.233 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.402 ' NE2' ' HD3' ' A' ' 20' ' ' LYS . 69.3 t60 -59.8 -48.98 79.49 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.051 -0.522 . . . . 0.83 110.489 176.223 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -61.26 -43.13 99.38 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.921 -0.582 . . . . 0.58 110.725 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 81.9 t60 -57.06 -49.7 75.05 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.981 -0.554 . . . . 1.06 111.213 177.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.448 ' O ' ' HB2' ' A' ' 25' ' ' TYR . 54.2 m -84.83 -28.93 25.74 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 113.068 0.766 . . . . 0.56 113.068 -172.486 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.402 ' HD3' ' NE2' ' A' ' 16' ' ' HIS . 17.0 pttm -72.93 -12.65 61.03 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.118 -0.633 . . . . 2.1 110.149 179.651 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 28.4 t -87.79 -24.1 23.86 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.816 -0.629 . . . . 1.53 110.036 176.008 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 72.5 mt -79.01 121.26 31.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 109.592 -0.522 . . . . 0.68 109.592 178.601 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 23.6 ttpp -56.84 128.5 37.0 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.222 -0.445 . . . . 2.51 110.354 -178.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 106.85 -20.06 34.5 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.782 -0.723 . . . . 0.79 112.405 -177.21 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.448 ' HB2' ' O ' ' A' ' 19' ' ' CYS . 70.6 m-85 -117.27 155.44 29.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.891 0.377 . . . . 0.77 110.626 178.108 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.34 -3.58 2.41 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.012 -0.54 . . . . 2.51 111.285 178.144 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.49 ' HA3' ' CZ ' ' A' ' 40' ' ' TYR . . . -152.19 165.87 30.91 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.321 -0.942 . . . . 0.56 113.047 179.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.632 ' HA2' ' O ' ' A' ' 38' ' ' LYS . . . -167.94 111.0 0.42 Allowed Glycine 0 C--O 1.227 -0.292 0 N-CA-C 111.215 -0.754 . . . . 0.63 111.215 178.494 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.486 ' O ' ' HA ' ' A' ' 37' ' ' CYS . 6.1 p90 -135.55 151.4 50.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 117.129 0.464 . . . . 1.08 111.165 -171.326 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 19.0 m -74.29 102.36 4.33 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.883 -0.414 . . . . 1.1 109.883 179.568 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -98.13 -77.57 0.5 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.011 0.434 . . . . 1.49 111.066 -177.427 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp -67.69 116.36 8.31 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.964 -0.562 . . . . 2.35 111.491 -175.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 69.63 1.55 31.07 Favored Glycine 0 C--N 1.33 0.231 0 CA-C-N 115.496 -0.774 . . . . 1.17 113.404 175.07 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 71.88 19.14 78.03 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.544 -0.836 . . . . 0.87 111.567 -173.705 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 58.5 m-85 -120.31 -37.73 3.01 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.639 0.257 . . . . 0.98 111.4 179.39 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 61.4 t -83.25 104.88 12.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 120.843 0.354 . . . . 0.73 111.322 -175.408 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.486 ' HA ' ' O ' ' A' ' 29' ' ' TYR . 95.5 m -77.42 92.97 4.02 Favored 'General case' 0 N--CA 1.443 -0.778 0 CA-C-N 115.861 -0.609 . . . . 1.48 110.224 174.795 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.632 ' O ' ' HA2' ' A' ' 28' ' ' GLY . 36.7 ttpt -76.3 141.66 41.55 Favored 'General case' 0 CA--C 1.508 -0.669 0 N-CA-C 109.367 -0.605 . . . . 1.56 109.367 178.165 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 84.1 m -123.35 133.85 54.08 Favored 'General case' 0 C--N 1.308 -1.225 0 CA-C-N 115.933 -0.576 . . . . 0.59 110.445 -175.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.49 ' CZ ' ' HA3' ' A' ' 27' ' ' GLY . 23.0 p90 . . . . . 0 C--O 1.248 0.998 0 CA-C-O 118.029 -0.986 . . . . 1.72 109.982 -174.69 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 . . . . . 0 N--CA 1.451 -0.407 0 CA-C-O 120.87 0.367 . . . . 1.06 110.736 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . 0.405 ' HA3' ' CB ' ' A' ' 14' ' ' ARG . . . 67.4 33.69 82.73 Favored Glycine 0 N--CA 1.449 -0.48 0 CA-C-N 115.795 -0.639 . . . . 0.93 111.95 -178.414 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.474 ' HA ' ' HA ' ' A' ' 10' ' ' GLU . 24.9 t -122.13 -89.95 0.59 Allowed 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.918 -0.401 . . . . 1.42 109.918 -179.314 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 58.67 23.71 11.32 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 112.981 0.734 . . . . 1.57 112.981 174.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 111.04 159.13 15.84 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.527 -0.844 . . . . 0.77 113.216 175.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.526 ' HA ' ' CG ' ' A' ' 10' ' ' GLU . 16.6 Cg_endo -59.72 -25.93 80.61 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 123.537 2.825 . . . . 1.07 113.252 -173.685 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 17.1 p-90 -72.48 -15.64 61.8 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.67 -0.695 . . . . 4.12 111.678 -178.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -134.39 -18.98 1.94 Allowed 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.384 0.513 . . . . 1.6 112.384 -170.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.526 ' CG ' ' HA ' ' A' ' 7' ' ' PRO . 0.0 OUTLIER -60.85 145.1 51.26 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 113.262 0.838 . . . . 1.62 113.262 -171.807 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.469 ' OD2' ' HD3' ' A' ' 14' ' ' ARG . 20.5 t70 -130.5 130.82 44.66 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 114.557 -1.202 . . . . 1.78 109.474 176.091 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 34.4 m-20 -67.16 -25.06 65.97 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.676 -0.693 . . . . 2.4 111.861 -174.205 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.466 HD12 ' ND2' ' A' ' 17' ' ' ASN . 0.1 OUTLIER -75.66 -47.85 24.6 Favored 'General case' 0 N--CA 1.449 -0.519 0 N-CA-C 110.435 -0.209 . . . . 0.98 110.435 -175.611 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.469 ' HD3' ' OD2' ' A' ' 11' ' ' ASP . 9.2 mpt_? -59.43 -48.23 82.44 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 121.212 -0.195 . . . . 4.04 111.323 179.136 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 38.8 t -60.88 -43.62 98.19 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.953 -0.388 . . . . 1.47 109.953 177.594 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 75.0 t60 -58.05 -50.28 73.99 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.254 -0.43 . . . . 0.83 111.033 175.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.466 ' ND2' HD12 ' A' ' 13' ' ' LEU . 91.5 m-20 -61.03 -45.36 95.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.169 -0.469 . . . . 0.58 111.097 -178.188 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 49.2 t60 -57.78 -49.95 74.89 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.223 -0.444 . . . . 1.06 110.795 178.151 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 89.5 m -68.71 -39.44 80.46 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.018 -0.537 . . . . 0.56 112.237 -174.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 44.4 pttt -73.84 -12.19 60.61 Favored 'General case' 0 N--CA 1.463 0.195 0 C-N-CA 120.354 -0.538 . . . . 2.1 110.937 -179.506 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 55.6 m -81.15 -11.21 59.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.379 0.609 . . . . 1.53 109.978 175.038 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 62.6 mt -99.29 121.34 49.79 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.531 0 CA-C-N 115.441 -0.8 . . . . 0.68 109.184 177.283 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.5 ttmp? -63.53 131.15 47.18 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-O 121.342 0.592 . . . . 2.51 110.571 -177.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 109.9 -20.04 27.18 Favored Glycine 0 N--CA 1.445 -0.745 0 CA-C-N 115.059 -0.973 . . . . 0.79 111.975 -175.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 64.4 m-85 -114.91 158.26 22.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.574 0.226 . . . . 0.77 110.435 179.025 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -127.09 -19.49 4.36 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.499 -0.319 . . . . 2.51 111.853 179.719 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -156.05 -179.46 31.12 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.304 -0.95 . . . . 0.56 112.593 179.384 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -159.29 152.67 23.69 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.674 -0.774 . . . . 0.63 112.666 -179.228 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 15.6 p90 -149.54 146.65 27.47 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 110.05 -0.352 . . . . 1.08 110.05 177.284 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.429 ' O ' ' HA2' ' A' ' 34' ' ' GLY . 81.5 m -79.21 101.12 7.81 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.042 0.448 . . . . 1.1 110.71 178.447 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -104.5 -168.3 1.47 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.325 -0.852 . . . . 1.49 110.297 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt 52.61 60.24 3.94 Favored 'General case' 0 C--O 1.234 0.245 0 O-C-N 123.66 0.6 . . . . 2.35 110.823 179.644 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 90.46 -10.01 75.79 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.96 -0.638 . . . . 1.17 111.812 -179.043 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.429 ' HA2' ' O ' ' A' ' 30' ' ' CYS . . . 93.36 14.5 53.65 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 121.038 -0.601 . . . . 0.87 112.17 -179.128 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -103.74 -27.68 12.11 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.811 0.338 . . . . 0.98 111.201 -178.076 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.418 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 45.7 t -99.44 111.17 28.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.457 -0.338 . . . . 0.73 111.362 -172.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 44.5 t -68.06 95.19 0.54 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.331 -0.618 . . . . 1.48 109.331 174.419 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.573 ' HD2' ' N ' ' A' ' 39' ' ' CYS . 1.6 tmmm? -95.05 134.31 37.88 Favored 'General case' 0 CA--C 1.513 -0.454 0 CA-C-O 121.244 0.545 . . . . 1.56 109.616 -177.388 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.573 ' N ' ' HD2' ' A' ' 38' ' ' LYS . 65.4 m -101.12 140.68 35.08 Favored 'General case' 0 C--N 1.308 -1.226 0 CA-C-N 114.978 -1.01 . . . . 0.59 111.064 -174.209 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 37.7 p90 . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.437 -0.792 . . . . 1.72 110.117 176.338 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 . . . . . 0 N--CA 1.465 0.287 0 CA-C-O 121.218 0.532 . . . . 1.06 110.717 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . 0.444 ' HA3' ' CB ' ' A' ' 14' ' ' ARG . . . 97.72 -28.14 15.71 Favored Glycine 0 N--CA 1.445 -0.716 0 CA-C-N 115.729 -0.669 . . . . 0.93 112.491 -179.234 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.498 ' HA ' ' HA ' ' A' ' 10' ' ' GLU . 42.6 t -93.98 113.49 25.49 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 120.98 0.419 . . . . 1.42 110.655 -178.511 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . 0.473 ' HB2' ' ND2' ' A' ' 9' ' ' ASN . 56.9 m-80 -129.99 38.63 3.78 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.044 -0.526 . . . . 1.57 110.39 178.768 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . 0.496 ' O ' ' HG3' ' A' ' 10' ' ' GLU . . . 147.36 171.72 16.78 Favored Glycine 0 N--CA 1.447 -0.615 0 CA-C-N 115.871 -0.604 . . . . 0.77 112.34 176.687 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.426 ' HD3' ' CE2' ' A' ' 35' ' ' PHE . 72.0 Cg_endo -76.47 -17.01 16.74 Favored 'Trans proline' 0 C--N 1.335 -0.164 0 C-N-CA 123.37 2.713 . . . . 1.07 111.816 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 4.5 p-90 -116.78 6.69 13.24 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.293 -0.867 . . . . 4.12 109.847 177.602 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.473 ' ND2' ' HB2' ' A' ' 5' ' ' ASN . 56.8 t30 -139.33 45.92 1.94 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 122.059 0.933 . . . . 1.6 108.734 -177.784 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.498 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 0.0 OUTLIER -103.9 94.59 5.5 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-N 114.758 -1.11 . . . . 1.62 110.771 -178.597 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.456 ' HB3' ' HD2' ' A' ' 14' ' ' ARG . 1.0 OUTLIER -69.69 97.66 1.09 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.047 -0.524 . . . . 1.78 111.105 178.33 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -57.73 -40.08 78.8 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.418 -0.81 . . . . 2.4 110.835 179.38 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.434 HD12 ' ND2' ' A' ' 17' ' ' ASN . 0.1 OUTLIER -67.41 -47.13 71.15 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 116.12 -0.491 . . . . 0.98 110.8 -175.132 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.456 ' HD2' ' HB3' ' A' ' 11' ' ' ASP . 0.0 OUTLIER -56.12 -43.36 78.09 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.608 -0.269 . . . . 4.04 110.96 177.351 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 40.9 t -66.45 -40.65 89.54 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.921 -0.4 . . . . 1.47 109.921 178.175 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 65.0 t60 -55.82 -51.83 66.12 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 116.05 -0.523 . . . . 0.83 110.585 173.59 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.434 ' ND2' HD12 ' A' ' 13' ' ' LEU . 93.9 m-20 -62.08 -38.53 89.19 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.786 -0.643 . . . . 0.58 111.14 -178.218 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 57.5 t60 -64.15 -50.46 68.1 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.288 -0.415 . . . . 1.06 111.082 177.381 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 69.2 m -73.32 -27.41 61.51 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 112.797 0.665 . . . . 0.56 112.797 -173.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.4 ' HG2' ' HA ' ' A' ' 17' ' ' ASN . 18.1 pttp -76.18 -11.05 59.86 Favored 'General case' 0 N--CA 1.464 0.238 0 C-N-CA 120.065 -0.654 . . . . 2.1 110.141 177.7 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 53.4 m -84.96 -15.48 44.21 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.994 -0.548 . . . . 1.53 109.835 174.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 48.9 mt -91.41 127.12 43.96 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.379 0 CA-C-N 115.743 -0.662 . . . . 0.68 109.345 177.028 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 21.6 ttmm -65.01 131.33 46.29 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.344 0.593 . . . . 2.51 111.103 -177.538 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 105.38 -18.2 42.17 Favored Glycine 0 N--CA 1.448 -0.557 0 CA-C-N 115.142 -0.936 . . . . 0.79 112.317 -178.546 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -117.54 160.24 21.56 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.629 0.252 . . . . 0.77 110.416 179.713 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.28 4.15 8.48 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.015 0.436 . . . . 2.51 110.929 178.634 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 164.35 -174.7 40.43 Favored Glycine 0 N--CA 1.445 -0.721 0 C-N-CA 120.638 -0.791 . . . . 0.56 111.616 -179.613 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -165.56 172.46 41.08 Favored Glycine 0 N--CA 1.445 -0.739 0 C-N-CA 120.635 -0.793 . . . . 0.63 112.759 -175.5 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 11.6 p90 -147.65 151.68 36.59 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.14 -0.689 . . . . 1.08 109.14 -177.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 4.8 t -80.91 123.26 28.15 Favored 'General case' 0 C--N 1.32 -0.708 0 C-N-CA 120.294 -0.562 . . . . 1.1 109.802 179.724 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -133.66 -161.37 1.14 Allowed 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.605 -0.725 . . . . 1.49 110.191 -176.373 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.5 mptp? 55.2 59.12 4.16 Favored 'General case' 0 N--CA 1.465 0.292 0 O-C-N 123.424 0.453 . . . . 2.35 110.405 -179.206 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 90.01 -15.05 60.38 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.877 -0.678 . . . . 1.17 111.777 -177.031 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 95.75 38.77 4.57 Favored Glycine 0 N--CA 1.445 -0.724 0 C-N-CA 121.139 -0.553 . . . . 0.87 111.794 -178.603 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.426 ' CE2' ' HD3' ' A' ' 7' ' ' PRO . 93.3 m-85 -137.2 -11.26 1.68 Allowed 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 111.871 0.323 . . . . 0.98 111.871 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 59.9 t -111.5 115.47 49.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 C-N-CA 121.174 -0.21 . . . . 0.73 111.169 -177.145 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 37.6 t -64.89 106.5 1.24 Allowed 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.629 -0.508 . . . . 1.48 109.629 174.298 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.592 ' HD3' ' O ' ' A' ' 39' ' ' CYS . 14.1 tmtt? -113.42 131.95 55.82 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.37 0.605 . . . . 1.56 110.4 -175.187 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.592 ' O ' ' HD3' ' A' ' 38' ' ' LYS . 27.4 m -88.66 152.07 22.05 Favored 'General case' 0 C--N 1.309 -1.181 0 CA-C-N 115.137 -0.938 . . . . 0.59 110.038 -175.682 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 44.9 m-85 . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.483 -0.77 . . . . 1.72 111.859 -176.132 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 . . . . . 0 N--CA 1.463 0.201 0 CA-C-O 120.89 0.376 . . . . 1.06 111.827 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -162.92 -56.76 0.02 OUTLIER Glycine 0 N--CA 1.446 -0.662 0 N-CA-C 111.11 -0.796 . . . . 0.93 111.11 -179.679 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 36.7 m -70.17 124.18 23.48 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.325 -0.62 . . . . 1.42 109.325 173.587 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . 0.454 HD22 ' N ' ' A' ' 5' ' ' ASN . 0.9 OUTLIER -102.64 2.37 35.87 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.976 0.417 . . . . 1.57 109.992 -179.588 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 128.76 -179.73 16.45 Favored Glycine 0 N--CA 1.446 -0.698 0 N-CA-C 111.209 -0.757 . . . . 0.77 111.209 -177.176 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 14.8 Cg_endo -56.5 -26.54 64.17 Favored 'Trans proline' 0 N--CA 1.475 0.386 0 C-N-CA 123.357 2.705 . . . . 1.07 113.022 -177.225 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 3.7 p-90 -74.87 -17.31 60.61 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.818 -0.628 . . . . 4.12 111.379 179.211 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -161.81 79.03 0.55 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.214 0.531 . . . . 1.6 109.942 -176.501 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.59 ' HB3' ' SG ' ' A' ' 30' ' ' CYS . 34.1 mt-10 -96.68 72.2 2.64 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.077 -0.51 . . . . 1.62 110.243 -176.457 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -71.98 102.42 2.94 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.978 -0.555 . . . . 1.78 110.783 -179.484 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -69.18 -31.21 69.68 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.305 -0.862 . . . . 2.4 111.03 -176.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.423 HD12 HD21 ' A' ' 17' ' ' ASN . 0.2 OUTLIER -63.28 -58.47 7.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.264 -0.426 . . . . 0.98 111.654 -172.07 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.36 -41.92 73.2 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.554 0.576 . . . . 4.04 112.554 -178.302 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.414 ' HB3' ' HB3' ' A' ' 37' ' ' CYS . 89.8 m -65.29 -43.03 92.44 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-O 121.109 0.48 . . . . 1.47 110.213 175.127 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.515 ' O ' ' HG3' ' A' ' 20' ' ' LYS . 57.9 t60 -57.77 -39.7 78.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.365 -0.834 . . . . 0.83 110.394 177.458 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.423 HD21 HD12 ' A' ' 13' ' ' LEU . 95.1 m-20 -66.6 -51.06 60.54 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.171 -0.468 . . . . 0.58 111.477 178.565 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 85.8 t60 -56.94 -42.8 80.7 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.06 -0.518 . . . . 1.06 111.154 -176.539 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.426 ' O ' ' HB2' ' A' ' 25' ' ' TYR . 75.8 m -69.94 -30.26 67.59 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.185 -0.461 . . . . 0.56 111.427 -178.133 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.515 ' HG3' ' O ' ' A' ' 16' ' ' HIS . 48.3 mtmt -73.41 -31.17 63.72 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.015 0.436 . . . . 2.1 110.27 175.76 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 37.4 t -63.94 -25.51 68.18 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.754 -0.657 . . . . 1.53 110.097 176.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 62.1 mt -93.03 127.75 44.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.988 -0.551 . . . . 0.68 109.874 178.103 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 24.2 ttpp -61.61 132.41 53.22 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.219 -0.446 . . . . 2.51 110.308 178.652 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 112.21 -39.91 2.71 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 121.036 -0.602 . . . . 0.79 112.809 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.426 ' HB2' ' O ' ' A' ' 19' ' ' CYS . 47.0 m-85 -100.93 158.32 16.08 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.757 0.313 . . . . 0.77 110.683 -176.259 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.72 6.06 5.11 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.395 -0.366 . . . . 2.51 111.463 -178.626 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 175.48 173.51 41.28 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.654 -0.784 . . . . 0.56 112.037 177.19 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.406 ' HA3' ' SG ' ' A' ' 19' ' ' CYS . . . -158.03 126.65 1.75 Allowed Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.877 -0.678 . . . . 0.63 112.037 -178.699 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 48.1 p90 -105.33 168.36 9.13 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 110.176 -0.305 . . . . 1.08 110.176 -178.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.59 ' SG ' ' HB3' ' A' ' 10' ' ' GLU . 1.2 m -83.72 98.6 9.76 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.145 0.497 . . . . 1.1 110.532 -177.061 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -103.53 -177.13 3.28 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.869 -0.605 . . . . 1.49 110.332 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.2 mptp? 56.09 45.24 23.91 Favored 'General case' 0 C--N 1.332 -0.184 0 O-C-N 123.417 0.448 . . . . 2.35 110.836 178.496 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 97.02 -4.39 62.84 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.8 -0.714 . . . . 1.17 112.022 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.83 19.21 22.8 Favored Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 120.772 -0.728 . . . . 0.87 111.999 -179.134 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -108.91 -39.75 5.23 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.843 0.354 . . . . 0.98 111.47 -176.546 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 93.2 t -92.86 124.7 45.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.141 -0.481 . . . . 0.73 111.22 -173.055 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.414 ' HB3' ' HB3' ' A' ' 15' ' ' CYS . 35.9 m -70.59 91.42 0.79 Allowed 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 116.028 -0.533 . . . . 1.48 110.179 176.02 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.404 ' O ' ' HA2' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -85.02 119.32 25.29 Favored 'General case' 0 CA--C 1.509 -0.634 0 CA-C-O 121.66 0.743 . . . . 1.56 109.523 179.886 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 69.0 m -84.22 150.03 25.74 Favored 'General case' 0 C--N 1.3 -1.557 0 CA-C-N 114.178 -1.374 . . . . 0.59 111.222 -172.644 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 18.6 p90 . . . . . 0 C--O 1.248 1.0 0 CA-C-N 115.637 -0.71 . . . . 1.72 109.794 178.657 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 . . . . . 0 CA--C 1.522 -0.119 0 CA-C-O 121.32 0.581 . . . . 1.06 110.859 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -172.81 -53.94 0.05 OUTLIER Glycine 0 N--CA 1.442 -0.963 0 N-CA-C 110.714 -0.954 . . . . 0.93 110.714 179.022 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 31.7 m -79.6 132.85 36.37 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.628 -0.508 . . . . 1.42 109.628 174.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 44.7 m-80 -135.34 45.09 2.51 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.096 0.474 . . . . 1.57 110.182 -178.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 122.84 164.78 12.21 Favored Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.776 -0.726 . . . . 0.77 112.084 177.768 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_endo -64.44 -22.53 65.6 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.969 2.446 . . . . 1.07 112.72 -176.242 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 10.7 p-90 -86.9 -9.36 55.89 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.798 -0.637 . . . . 4.12 110.954 -179.421 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 28.7 t30 -156.11 81.85 1.0 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.117 -0.492 . . . . 1.6 110.043 -176.087 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.684 ' HB3' ' SG ' ' A' ' 30' ' ' CYS . 39.3 mt-10 -103.56 -78.93 0.55 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.2 -0.455 . . . . 1.62 110.645 -179.771 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.544 ' OD2' ' HG2' ' A' ' 14' ' ' ARG . 16.6 t70 65.46 98.49 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.616 0.722 . . . . 1.78 110.631 -173.746 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -63.1 -25.84 68.55 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.009 -0.996 . . . . 2.4 111.255 -177.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.522 HD12 ' ND2' ' A' ' 17' ' ' ASN . 0.0 OUTLIER -63.6 -45.9 88.25 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 116.382 -0.372 . . . . 0.98 110.667 -174.455 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.544 ' HG2' ' OD2' ' A' ' 11' ' ' ASP . 11.7 mmm180 -53.35 -60.03 3.82 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 121.173 0.511 . . . . 4.04 111.317 179.772 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 88.9 m -66.37 -30.54 70.94 Favored 'General case' 0 N--CA 1.442 -0.834 0 CA-C-N 115.92 -0.582 . . . . 1.47 111.581 -177.376 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.447 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 59.0 t60 -61.43 -52.34 64.99 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 110.016 -0.364 . . . . 0.83 110.016 171.159 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.522 ' ND2' HD12 ' A' ' 13' ' ' LEU . 50.1 m-20 -57.19 -35.36 69.51 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-N 115.891 -0.595 . . . . 0.58 110.893 179.522 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 7.2 t-160 -60.21 -68.76 0.26 Allowed 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.742 -0.663 . . . . 1.06 110.688 173.378 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.45 ' SG ' ' HA3' ' A' ' 28' ' ' GLY . 61.8 m -61.24 -35.82 78.29 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.198 -0.91 . . . . 0.56 113.28 -171.726 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.447 ' HG2' ' O ' ' A' ' 16' ' ' HIS . 21.8 ptmt -65.64 -20.25 66.23 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 120.848 0.356 . . . . 2.1 111.18 -177.785 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 17.3 m -82.28 -11.62 58.53 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.15 0.5 . . . . 1.53 110.454 -179.675 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 60.8 mt -92.98 127.34 45.14 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.528 0 N-CA-C 109.483 -0.562 . . . . 0.68 109.483 178.522 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 32.3 ttpt -57.85 127.34 31.59 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.129 -0.487 . . . . 2.51 110.184 179.046 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 106.55 -32.68 7.06 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.933 -0.651 . . . . 0.79 112.705 -178.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 47.1 m-85 -105.86 155.18 19.57 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.128 0.49 . . . . 0.77 110.991 -176.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -127.61 -20.6 3.93 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.826 -0.624 . . . . 2.51 111.645 -178.439 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.429 ' HA3' ' CZ ' ' A' ' 40' ' ' TYR . . . -150.37 170.35 30.31 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 119.839 -1.172 . . . . 0.56 113.041 -178.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.529 ' HA2' ' O ' ' A' ' 38' ' ' LYS . . . -156.18 135.06 4.35 Favored Glycine 0 N--CA 1.448 -0.548 0 N-CA-C 111.154 -0.778 . . . . 0.63 111.154 178.76 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.587 ' O ' ' HA ' ' A' ' 37' ' ' CYS . 33.9 p90 -130.61 144.72 51.61 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 117.309 0.554 . . . . 1.08 111.763 -174.209 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.684 ' SG ' ' HB3' ' A' ' 10' ' ' GLU . 0.0 OUTLIER -74.17 102.7 4.35 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 115.552 -0.749 . . . . 1.1 109.922 178.369 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -99.7 -79.59 0.49 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.128 -0.487 . . . . 1.49 111.488 -174.678 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -61.7 98.76 0.1 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.999 -0.546 . . . . 2.35 111.605 -174.601 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 71.66 6.88 63.83 Favored Glycine 0 N--CA 1.451 -0.313 0 CA-C-N 115.772 -0.649 . . . . 1.17 112.908 177.183 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 76.78 8.52 86.46 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.665 -0.778 . . . . 0.87 111.777 -174.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -101.45 -46.96 4.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.075 0.464 . . . . 0.98 111.103 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 48.6 t -87.65 109.82 19.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.124 -0.489 . . . . 0.73 111.04 -174.69 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.587 ' HA ' ' O ' ' A' ' 29' ' ' TYR . 94.9 m -87.83 117.55 26.75 Favored 'General case' 0 N--CA 1.442 -0.86 0 CA-C-N 115.96 -0.564 . . . . 1.48 110.725 177.47 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.529 ' O ' ' HA2' ' A' ' 28' ' ' GLY . 24.9 ttpp -97.84 139.12 34.16 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.123 -0.49 . . . . 1.56 110.345 179.317 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 65.7 m -96.59 140.45 31.18 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.607 -0.724 . . . . 0.59 110.452 -175.467 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.429 ' CZ ' ' HA3' ' A' ' 27' ' ' GLY . 46.8 p90 . . . . . 0 C--O 1.251 1.172 0 CA-C-O 118.273 -0.87 . . . . 1.72 109.504 176.037 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 . . . . . 0 N--CA 1.451 -0.397 0 CA-C-O 121.202 0.525 . . . . 1.06 110.392 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 88.19 7.51 73.22 Favored Glycine 0 N--CA 1.447 -0.622 0 N-CA-C 111.18 -0.768 . . . . 0.93 111.18 -175.371 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.465 ' SG ' ' HB2' ' A' ' 37' ' ' CYS . 8.7 m -133.05 88.13 2.47 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.825 -0.435 . . . . 1.42 109.825 -178.039 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 -124.82 22.11 8.19 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.245 -0.434 . . . . 1.57 110.469 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . 0.402 ' HA2' ' CE2' ' A' ' 35' ' ' PHE . . . 126.14 168.99 12.74 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.503 -0.856 . . . . 0.77 112.861 178.234 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_exo -43.98 -38.97 10.75 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 124.046 3.164 . . . . 1.07 113.407 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -89.07 3.1 52.9 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.555 -0.748 . . . . 4.12 111.91 -174.332 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -131.18 -29.73 1.8 Allowed 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 111.763 0.282 . . . . 1.6 111.763 -177.339 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -49.14 126.7 13.17 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-O 121.243 0.544 . . . . 1.62 111.893 -177.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.445 ' OD2' ' HG2' ' A' ' 14' ' ' ARG . 25.0 t70 -138.34 124.53 20.33 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.348 -0.842 . . . . 1.78 109.792 178.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -66.25 -31.33 72.08 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.496 -0.774 . . . . 2.4 111.089 -175.655 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -76.39 -44.26 36.99 Favored 'General case' 0 N--CA 1.445 -0.706 0 CA-C-N 116.121 -0.491 . . . . 0.98 110.701 -177.071 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.445 ' HG2' ' OD2' ' A' ' 11' ' ' ASP . 24.9 mmm180 -54.96 -55.51 29.91 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 116.63 -0.259 . . . . 4.04 111.57 -179.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 46.6 t -60.14 -40.28 89.27 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.132 -0.485 . . . . 1.47 110.245 178.315 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.5 t60 -56.49 -49.2 75.36 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.208 -0.451 . . . . 0.83 110.538 174.584 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -58.3 -46.43 86.13 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.852 -0.613 . . . . 0.58 111.197 -179.566 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -62.2 -50.52 71.46 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.242 -0.435 . . . . 1.06 110.984 -179.696 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 93.3 m -71.04 -36.19 72.26 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 112.591 0.589 . . . . 0.56 112.591 -173.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.8 pttp -71.01 -15.28 62.55 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.876 0.369 . . . . 2.1 110.741 -178.493 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 23.5 m -86.81 -5.73 59.02 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.025 -0.534 . . . . 1.53 110.478 178.255 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 55.4 mt -101.24 124.56 55.01 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.481 0 CA-C-N 115.866 -0.606 . . . . 0.68 109.789 178.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 67.3 tttt -59.51 132.83 55.17 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 116.39 -0.368 . . . . 2.51 110.021 177.064 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 102.82 -16.93 54.01 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.726 -0.75 . . . . 0.79 111.978 -176.614 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -125.11 151.78 45.26 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.876 0.37 . . . . 0.77 110.376 179.694 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.433 ' HG2' ' CE2' ' A' ' 40' ' ' TYR . 0.0 OUTLIER -120.06 -17.32 8.42 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.166 -0.47 . . . . 2.51 111.259 -179.705 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -161.88 178.24 37.81 Favored Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 120.37 -0.919 . . . . 0.56 112.766 -179.27 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -161.64 158.38 30.21 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 121.032 -0.604 . . . . 0.63 112.339 -178.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 14.3 p90 -150.32 151.97 33.74 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.574 0.226 . . . . 1.08 110.559 -179.021 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 13.8 m -82.85 101.2 10.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.027 0.441 . . . . 1.1 110.453 -178.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -96.38 -175.31 3.3 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.843 -0.617 . . . . 1.49 110.037 178.513 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp 57.46 50.84 10.58 Favored 'General case' 0 C--N 1.331 -0.2 0 O-C-N 123.504 0.502 . . . . 2.35 111.097 178.058 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 84.48 13.06 74.19 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 121.005 -0.617 . . . . 1.17 112.3 178.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 80.55 29.84 42.47 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.825 -0.702 . . . . 0.87 112.318 -178.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.402 ' CE2' ' HA2' ' A' ' 6' ' ' GLY . 97.0 m-85 -115.34 -33.65 5.22 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 111.818 0.303 . . . . 0.98 111.818 -177.582 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 97.3 t -101.27 111.24 30.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 120.93 0.395 . . . . 0.73 111.205 -175.378 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.465 ' HB2' ' SG ' ' A' ' 4' ' ' CYS . 39.0 t -72.51 99.69 2.56 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.841 -0.618 . . . . 1.48 109.573 175.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 21.1 ttpp -102.84 145.41 29.83 Favored 'General case' 0 CA--C 1.509 -0.62 0 N-CA-C 109.896 -0.409 . . . . 1.56 109.896 179.37 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 34.6 m -105.77 167.77 9.55 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 115.599 -0.728 . . . . 0.59 110.511 -175.561 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.433 ' CE2' ' HG2' ' A' ' 26' ' ' LYS . 38.7 p90 . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.58 -0.724 . . . . 1.72 109.244 172.469 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 . . . . . 0 C--O 1.23 0.045 0 CA-C-O 121.136 0.493 . . . . 1.06 111.249 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -162.43 -43.49 0.02 OUTLIER Glycine 0 N--CA 1.446 -0.641 0 N-CA-C 110.639 -0.984 . . . . 0.93 110.639 179.333 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 22.0 m -77.68 129.98 36.24 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 110.198 -0.297 . . . . 1.42 110.198 175.035 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 58.2 m-80 -141.02 54.77 1.56 Allowed 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.325 0.583 . . . . 1.57 109.925 178.224 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 109.83 160.49 18.45 Favored Glycine 0 N--CA 1.445 -0.742 0 C-N-CA 120.868 -0.682 . . . . 0.77 111.823 179.075 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_exo -50.9 -38.08 57.25 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 123.245 2.63 . . . . 1.07 112.184 -178.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -63.63 -26.54 68.72 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 114.761 -1.108 . . . . 4.12 111.362 -177.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 40.0 t30 -142.44 80.69 1.71 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.207 0.527 . . . . 1.6 110.281 -173.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.495 ' HB3' ' SG ' ' A' ' 30' ' ' CYS . 44.8 mt-10 -114.32 94.55 4.85 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.101 -0.5 . . . . 1.62 110.832 -178.262 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.662 ' OD2' ' HD2' ' A' ' 14' ' ' ARG . 12.7 t70 -105.25 95.72 6.03 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.753 -0.462 . . . . 1.78 109.753 174.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -68.66 -23.72 64.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.9 -0.591 . . . . 2.4 110.591 -178.161 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.466 HD12 HD21 ' A' ' 17' ' ' ASN . 0.0 OUTLIER -63.48 -50.85 68.03 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 116.325 -0.398 . . . . 0.98 110.654 -173.56 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.662 ' HD2' ' OD2' ' A' ' 11' ' ' ASP . 0.0 OUTLIER -51.59 -51.2 57.47 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.711 0.291 . . . . 4.04 111.557 176.397 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.449 ' HB3' ' HB3' ' A' ' 37' ' ' CYS . 75.9 m -68.17 -34.91 77.19 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 116.489 -0.323 . . . . 1.47 111.176 -178.087 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 45.8 t60 -59.74 -51.46 69.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.83 109.938 172.006 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.466 HD21 HD12 ' A' ' 13' ' ' LEU . 93.8 m-20 -60.13 -46.43 89.66 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.59 -0.732 . . . . 0.58 111.008 -179.189 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 77.8 t60 -59.75 -49.62 77.01 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.783 -0.644 . . . . 1.06 111.21 -179.535 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.482 ' O ' ' HB2' ' A' ' 25' ' ' TYR . 40.3 m -77.44 -26.42 51.52 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 112.67 0.619 . . . . 0.56 112.67 -174.532 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.4 pttp -75.76 -10.67 59.62 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.256 -0.577 . . . . 2.1 110.07 177.463 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 20.6 m -93.67 -9.69 37.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.946 -0.57 . . . . 1.53 110.466 176.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 73.8 mt -102.4 125.93 56.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.032 -0.531 . . . . 0.68 109.901 -179.506 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 33.4 ttpt -58.31 126.51 27.83 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.436 -0.347 . . . . 2.51 110.168 178.35 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 113.49 -23.99 12.88 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.947 -0.644 . . . . 0.79 112.419 -177.444 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.482 ' HB2' ' O ' ' A' ' 19' ' ' CYS . 39.7 m-85 -122.7 158.52 29.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.91 0.355 . . . . 0.77 110.244 178.827 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -133.91 1.84 3.33 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 121.014 -0.274 . . . . 2.51 111.571 173.671 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -176.77 172.73 45.69 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.287 -0.958 . . . . 0.56 112.593 178.095 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -160.31 158.81 30.22 Favored Glycine 0 N--CA 1.451 -0.337 0 N-CA-C 111.914 -0.475 . . . . 0.63 111.914 179.67 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.48 ' O ' ' HA ' ' A' ' 37' ' ' CYS . 45.3 p90 -148.42 155.33 41.08 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 110.19 -0.3 . . . . 1.08 110.19 -179.005 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.495 ' SG ' ' HB3' ' A' ' 10' ' ' GLU . 0.0 OUTLIER -73.03 100.75 3.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.057 0.456 . . . . 1.1 110.984 -177.92 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -111.71 -174.03 2.38 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.099 -0.5 . . . . 1.49 110.029 179.564 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt 52.54 54.97 9.75 Favored 'General case' 0 C--N 1.33 -0.265 0 O-C-N 123.573 0.546 . . . . 2.35 111.244 178.059 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 91.72 -2.37 76.68 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.778 -0.725 . . . . 1.17 112.482 179.282 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 93.91 19.25 34.59 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.82 -0.705 . . . . 0.87 111.967 -179.087 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -111.43 -56.64 2.35 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.838 0.351 . . . . 0.98 111.075 -178.083 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 63.9 t -79.57 114.95 21.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.101 -0.5 . . . . 0.73 110.559 -175.237 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.48 ' HA ' ' O ' ' A' ' 29' ' ' TYR . 93.2 m -75.93 94.49 3.38 Favored 'General case' 0 N--CA 1.439 -1.006 0 CA-C-O 120.976 0.417 . . . . 1.48 110.284 178.208 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 6.5 tmtt? -75.87 129.23 36.65 Favored 'General case' 0 CA--C 1.508 -0.652 0 N-CA-C 108.8 -0.815 . . . . 1.56 108.8 179.346 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 74.5 m -113.97 143.73 44.25 Favored 'General case' 0 C--N 1.304 -1.377 0 CA-C-N 115.139 -0.937 . . . . 0.59 111.484 -173.06 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 23.8 p90 . . . . . 0 C--O 1.25 1.105 0 CA-C-N 115.25 -0.886 . . . . 1.72 110.304 -176.511 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 . . . . . 0 N--CA 1.451 -0.42 0 CA-C-O 121.052 0.454 . . . . 1.06 110.119 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . 0.426 ' HA3' ' CB ' ' A' ' 14' ' ' ARG . . . 100.48 -51.32 1.01 Allowed Glycine 0 N--CA 1.447 -0.631 0 N-CA-C 110.398 -1.081 . . . . 0.93 110.398 -174.562 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.753 ' SG ' ' HA ' ' A' ' 10' ' ' GLU . 8.6 t -87.1 129.65 34.83 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.235 -0.654 . . . . 1.42 109.235 171.481 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 51.1 m-80 -134.97 33.33 3.16 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.445 -0.343 . . . . 1.57 111.176 -175.662 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . 0.444 ' HA2' ' O ' ' A' ' 34' ' ' GLY . . . 117.99 171.76 15.49 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.654 -0.784 . . . . 0.77 112.47 178.277 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 8.3 Cg_endo -49.71 -30.03 21.43 Favored 'Trans proline' 0 N--CA 1.474 0.364 0 C-N-CA 124.318 3.346 . . . . 1.07 113.854 -176.158 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 12.5 p-90 -72.61 -20.04 61.35 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.315 -0.402 . . . . 4.12 111.217 -178.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 51.7 t30 -158.48 64.38 0.43 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.166 0.508 . . . . 1.6 110.11 -172.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.753 ' HA ' ' SG ' ' A' ' 4' ' ' CYS . 42.7 mt-10 -89.55 77.43 7.23 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.208 -0.451 . . . . 1.62 110.248 179.074 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.48 ' OD2' ' HG2' ' A' ' 14' ' ' ARG . 11.3 t70 -74.45 97.56 3.11 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.385 -0.598 . . . . 1.78 109.385 175.615 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -68.52 -31.48 70.75 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.674 -0.694 . . . . 2.4 110.409 -175.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -61.13 -54.32 46.0 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.693 -0.685 . . . . 0.98 111.065 -176.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.48 ' HG2' ' OD2' ' A' ' 11' ' ' ASP . 15.6 mmm-85 -54.95 -56.02 24.26 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.104 -0.498 . . . . 4.04 111.523 -179.125 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.687 ' SG ' ' HB3' ' A' ' 4' ' ' CYS . 83.8 m -62.06 -33.45 74.42 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.443 -0.344 . . . . 1.47 111.554 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.439 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 33.0 t60 -59.11 -50.45 74.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.267 -0.424 . . . . 0.83 109.978 171.822 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 -66.92 -29.92 69.92 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.661 -0.699 . . . . 0.58 111.274 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 67.6 t60 -61.64 -42.71 99.27 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.014 0.435 . . . . 1.06 110.204 175.378 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 94.5 m -76.98 -13.63 59.94 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.139 -0.482 . . . . 0.56 110.839 178.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.439 ' HG2' ' O ' ' A' ' 16' ' ' HIS . 32.6 mmmt -76.68 -25.07 53.26 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.053 0.454 . . . . 2.1 109.996 173.066 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 15.6 m -74.39 -19.74 60.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.889 -0.596 . . . . 1.53 109.966 175.546 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 26.5 mt -101.22 134.45 41.37 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.469 0 CA-C-N 115.751 -0.658 . . . . 0.68 109.737 179.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 35.6 ttmt -76.83 138.73 40.0 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 120.998 0.428 . . . . 2.51 111.131 -178.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 104.57 -19.89 40.87 Favored Glycine 0 N--CA 1.45 -0.38 0 CA-C-N 115.525 -0.761 . . . . 0.79 113.253 177.44 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 50.1 m-85 -113.83 143.62 44.36 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.909 0.355 . . . . 0.77 110.985 -175.709 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.46 ' HB2' ' CE2' ' A' ' 40' ' ' TYR . 50.4 mmtt -92.53 -27.74 17.21 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.106 -0.497 . . . . 2.51 110.378 -179.64 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -173.09 -170.96 37.33 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.695 -0.765 . . . . 0.56 112.061 -177.706 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -146.6 157.28 27.35 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 121.078 -0.582 . . . . 0.63 112.033 -176.634 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 3.2 p90 -136.88 144.95 43.81 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.722 0.296 . . . . 1.08 110.89 -176.289 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 7.8 m -73.73 94.7 2.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.928 -0.578 . . . . 1.1 110.55 -178.298 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -109.25 -171.08 1.77 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.642 -0.708 . . . . 1.49 110.242 -178.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 32.4 mmmt 51.68 64.46 1.84 Allowed 'General case' 0 C--O 1.234 0.253 0 O-C-N 123.611 0.57 . . . . 2.35 110.781 -179.54 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 86.72 -6.85 81.83 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.904 -0.665 . . . . 1.17 111.801 -178.709 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.444 ' O ' ' HA2' ' A' ' 6' ' ' GLY . . . 93.39 11.53 58.24 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 121.175 -0.536 . . . . 0.87 112.314 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -109.91 -24.1 11.0 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.011 0.374 . . . . 0.98 112.011 -176.675 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 54.2 t -100.66 106.6 19.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 121.091 0.472 . . . . 0.73 110.826 -176.026 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.724 ' SG ' ' HB3' ' A' ' 4' ' ' CYS . 68.8 m -72.97 95.07 1.94 Allowed 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 115.651 -0.704 . . . . 1.48 110.893 178.379 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 24.3 ttpp -93.13 146.42 23.67 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.968 -0.56 . . . . 1.56 110.233 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 75.9 m -81.5 166.5 20.25 Favored 'General case' 0 C--N 1.311 -1.09 0 N-CA-C 108.54 -0.911 . . . . 0.59 108.54 176.085 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.46 ' CE2' ' HB2' ' A' ' 26' ' ' LYS . 10.3 m-30 . . . . . 0 C--O 1.247 0.939 0 CA-C-O 118.12 -0.943 . . . . 1.72 112.001 -177.57 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 50.2 m-85 . . . . . 0 N--CA 1.45 -0.43 0 CA-C-O 120.959 0.409 . . . . 1.06 110.151 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 83.66 -47.21 3.79 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 121.082 -0.58 . . . . 0.93 111.761 -179.245 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 53.7 t -71.4 94.82 1.28 Allowed 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.978 0.418 . . . . 1.42 110.097 178.071 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -108.29 4.45 24.61 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.317 -0.401 . . . . 1.57 111.295 -176.237 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 133.2 175.08 13.8 Favored Glycine 0 N--CA 1.445 -0.714 0 C-N-CA 120.761 -0.733 . . . . 0.77 111.559 -178.213 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.443 ' HA ' ' CG ' ' A' ' 10' ' ' GLU . 25.8 Cg_endo -62.43 -23.82 75.23 Favored 'Trans proline' 0 N--CA 1.471 0.148 0 C-N-CA 122.993 2.462 . . . . 1.07 112.328 -179.072 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 6.0 p-90 -74.04 -20.43 60.3 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.67 -0.696 . . . . 4.12 110.658 177.511 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -149.47 67.86 1.02 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.798 -0.637 . . . . 1.6 109.42 -174.688 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.443 ' CG ' ' HA ' ' A' ' 7' ' ' PRO . 43.3 mt-10 -88.52 67.0 8.43 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.519 -0.764 . . . . 1.62 110.139 -178.421 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.517 ' OD2' ' HB2' ' A' ' 14' ' ' ARG . 26.4 t70 -63.84 115.27 4.67 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.326 0.584 . . . . 1.78 110.619 -178.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -74.18 -42.73 59.39 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.149 -0.932 . . . . 2.4 111.51 -175.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.492 HD12 HD21 ' A' ' 17' ' ' ASN . 0.1 OUTLIER -63.62 -54.03 42.21 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.223 -0.444 . . . . 0.98 111.524 -169.778 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.517 ' HB2' ' OD2' ' A' ' 11' ' ' ASP . 0.9 OUTLIER -60.65 -42.32 96.75 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 111.79 0.293 . . . . 4.04 111.79 -178.003 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 37.2 t -65.65 -39.79 91.77 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.38 0.609 . . . . 1.47 109.564 177.018 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.468 ' O ' ' HG3' ' A' ' 20' ' ' LYS . 84.5 t60 -59.88 -44.15 94.36 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.536 -0.756 . . . . 0.83 110.377 175.47 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.492 HD21 HD12 ' A' ' 13' ' ' LEU . 92.8 m-20 -66.05 -45.31 81.85 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.241 -0.436 . . . . 0.58 110.992 178.743 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 74.4 t60 -54.47 -37.76 65.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.787 -0.642 . . . . 1.06 111.031 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 85.6 m -85.04 -15.95 42.37 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.065 -0.516 . . . . 0.56 111.877 -178.135 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.468 ' HG3' ' O ' ' A' ' 16' ' ' HIS . 54.9 mtpt -73.74 -31.75 63.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.103 0.478 . . . . 2.1 110.11 175.026 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.8 p -81.32 8.19 9.74 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.745 -0.661 . . . . 1.53 111.123 177.446 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 42.7 mt -118.86 111.56 34.12 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.535 0 N-CA-C 108.833 -0.802 . . . . 0.68 108.833 173.768 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 23.6 ttmm -68.0 133.59 49.3 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-O 121.485 0.659 . . . . 2.51 110.95 -175.069 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 109.59 -11.44 32.91 Favored Glycine 0 N--CA 1.447 -0.621 0 CA-C-N 114.962 -1.017 . . . . 0.79 111.767 -175.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 50.1 m-85 -123.84 169.55 11.45 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 110.282 -0.266 . . . . 0.77 110.282 178.334 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.504 ' N ' ' HD3' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -143.04 31.19 1.4 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.252 0.548 . . . . 2.51 111.121 -179.208 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 136.66 177.5 15.06 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.615 -0.802 . . . . 0.56 111.589 178.518 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -158.18 175.41 35.37 Favored Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 120.313 -0.946 . . . . 0.63 113.142 -177.04 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 10.7 p90 -151.0 167.69 26.87 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.799 -0.445 . . . . 1.08 109.799 179.302 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.505 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 84.2 m -81.72 96.65 7.62 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.055 0.455 . . . . 1.1 110.81 179.811 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -83.58 -177.0 6.57 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.49 -0.777 . . . . 1.49 110.215 178.337 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 48.3 mmtm 58.53 -150.72 0.43 Allowed 'General case' 0 C--O 1.233 0.23 0 N-CA-C 109.431 -0.581 . . . . 2.35 109.431 -176.6 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -52.16 -24.69 16.11 Favored Glycine 0 CA--C 1.522 0.521 0 C-N-CA 121.219 -0.515 . . . . 1.17 112.871 174.3 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 128.62 19.8 1.62 Allowed Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.804 -0.712 . . . . 0.87 112.859 174.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 77.0 m-85 -116.35 11.44 15.0 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 117.075 0.438 . . . . 0.98 111.692 -177.575 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.505 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 63.8 t -117.75 116.1 50.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 C-N-CA 120.953 -0.299 . . . . 0.73 111.21 -176.403 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 48.2 t -75.79 86.11 2.78 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.505 -0.554 . . . . 1.48 109.505 176.559 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.37 128.48 44.22 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.834 -0.621 . . . . 1.56 110.111 -175.541 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 33.7 m -87.71 160.1 18.23 Favored 'General case' 0 C--N 1.307 -1.264 0 CA-C-N 114.654 -1.157 . . . . 0.59 110.592 -174.669 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 . . . . . 0 C--O 1.252 1.188 0 CA-C-O 117.985 -1.007 . . . . 1.72 110.479 179.488 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . 0.524 ' O ' ' HB3' ' A' ' 14' ' ' ARG . 33.6 m-85 . . . . . 0 N--CA 1.468 0.433 0 CA-C-O 120.993 0.425 . . . . 1.06 111.334 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 88.1 -37.53 3.26 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 121.009 -0.615 . . . . 0.93 112.179 -178.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.494 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 46.0 t -84.2 106.09 15.56 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.989 0.424 . . . . 1.42 110.71 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 42.7 m-80 -108.51 12.74 25.88 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.951 0.405 . . . . 1.57 110.412 178.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 119.01 174.41 15.9 Favored Glycine 0 N--CA 1.445 -0.743 0 C-N-CA 121.032 -0.604 . . . . 0.77 112.571 177.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 13.6 Cg_endo -56.8 -29.18 80.0 Favored 'Trans proline' 0 C--O 1.233 0.243 0 C-N-CA 123.324 2.683 . . . . 1.07 112.731 -175.064 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 8.0 p-90 -75.83 -22.5 56.21 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.764 -0.653 . . . . 4.12 110.949 -179.152 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -160.74 69.16 0.36 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.319 0.581 . . . . 1.6 110.474 -174.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.446 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 2.1 pt-20 -110.75 161.01 16.21 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.201 -0.454 . . . . 1.62 110.71 177.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -142.27 107.79 5.06 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.772 -0.649 . . . . 1.78 109.589 -179.023 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -66.96 -22.65 65.92 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.124 -0.489 . . . . 2.4 111.531 -175.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.453 HD12 ' ND2' ' A' ' 17' ' ' ASN . 0.1 OUTLIER -76.54 -47.55 22.29 Favored 'General case' 0 N--CA 1.442 -0.831 0 CA-C-N 116.34 -0.391 . . . . 0.98 110.429 -174.845 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.524 ' HB3' ' O ' ' A' ' 2' ' ' PHE . 0.0 OUTLIER -60.71 -40.36 91.99 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.677 -0.238 . . . . 4.04 110.954 178.898 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.494 ' SG ' ' HB2' ' A' ' 4' ' ' CYS . 74.1 m -58.88 -53.19 61.22 Favored 'General case' 0 N--CA 1.447 -0.606 0 N-CA-C 109.857 -0.423 . . . . 1.47 109.857 174.247 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.528 ' O ' ' HG3' ' A' ' 20' ' ' LYS . 27.6 t60 -54.27 -54.45 39.9 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.784 -0.643 . . . . 0.83 111.392 178.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.453 ' ND2' HD12 ' A' ' 13' ' ' LEU . 89.4 m-20 -55.95 -48.54 75.58 Favored 'General case' 0 C--N 1.327 -0.39 0 O-C-N 123.485 0.491 . . . . 0.58 111.184 -176.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 74.0 t60 -58.26 -48.01 81.8 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.371 -0.377 . . . . 1.06 110.866 178.224 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 88.0 m -64.66 -47.42 78.55 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.383 0.512 . . . . 0.56 112.383 -175.125 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.528 ' HG3' ' O ' ' A' ' 16' ' ' HIS . 0.0 OUTLIER -80.34 -1.3 40.5 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.241 -0.584 . . . . 2.1 111.694 -176.821 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 69.3 m -82.53 -14.83 54.26 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.087 -0.708 . . . . 1.53 109.087 170.041 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 37.5 mt -98.69 135.6 32.97 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.648 0 CA-C-N 115.162 -0.926 . . . . 0.68 108.767 177.02 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 34.8 ttmt -72.19 134.79 45.87 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-O 121.265 0.555 . . . . 2.51 110.662 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 101.45 4.18 53.0 Favored Glycine 0 N--CA 1.449 -0.464 0 CA-C-N 115.271 -0.877 . . . . 0.79 112.636 -178.47 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 -134.93 158.99 42.86 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.699 0.285 . . . . 0.77 110.38 178.551 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.53 -28.06 2.56 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.404 -0.362 . . . . 2.51 111.637 177.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -146.69 175.07 26.3 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 119.831 -1.175 . . . . 0.56 113.161 -177.756 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -155.44 144.59 11.16 Favored Glycine 0 N--CA 1.446 -0.684 0 C-N-CA 121.103 -0.57 . . . . 0.63 112.012 178.681 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 6.3 p90 -144.78 159.81 42.26 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 110.365 -0.235 . . . . 1.08 110.365 179.529 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 81.8 m -75.37 106.8 7.09 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.113 0.482 . . . . 1.1 111.167 -178.146 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -121.91 -172.18 2.39 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.426 -0.806 . . . . 1.49 109.66 177.306 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.0 mmmm 52.23 63.5 2.22 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-O 121.151 0.5 . . . . 2.35 110.781 -179.595 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 92.24 -16.54 59.51 Favored Glycine 0 N--CA 1.448 -0.56 0 N-CA-C 111.251 -0.739 . . . . 1.17 111.251 -176.074 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 87.79 27.22 27.25 Favored Glycine 0 N--CA 1.444 -0.799 0 C-N-CA 121.013 -0.613 . . . . 0.87 111.759 -178.537 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 79.4 m-85 -119.88 -18.12 8.31 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.928 0.394 . . . . 0.98 110.76 179.513 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 48.1 t -103.25 124.12 57.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.174 -0.466 . . . . 0.73 110.796 -175.128 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.408 ' SG ' ' HB2' ' A' ' 2' ' ' PHE . 80.1 m -71.08 88.97 0.8 Allowed 'General case' 0 N--CA 1.447 -0.581 0 N-CA-C 109.712 -0.477 . . . . 1.48 109.712 173.608 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.419 ' HD2' ' N ' ' A' ' 39' ' ' CYS . 3.5 tmmm? -83.76 131.81 34.88 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.15 -0.685 . . . . 1.56 109.15 -179.526 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.419 ' N ' ' HD2' ' A' ' 38' ' ' LYS . 56.7 m -100.29 141.56 32.97 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 115.0 -1.0 . . . . 0.59 111.37 -171.368 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 46.2 p90 . . . . . 0 C--O 1.251 1.169 0 CA-C-O 118.131 -0.938 . . . . 1.72 109.533 175.206 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 71.6 m-85 . . . . . 0 N--CA 1.454 -0.235 0 CA-C-O 121.165 0.507 . . . . 1.06 110.12 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 99.39 -34.89 5.08 Favored Glycine 0 C--N 1.318 -0.425 0 N-CA-C 111.215 -0.754 . . . . 0.93 111.215 -177.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 23.5 m -80.49 98.2 7.46 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.225 -0.488 . . . . 1.42 110.185 177.543 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 54.7 m-80 -140.36 41.72 1.91 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.79 0.329 . . . . 1.57 111.186 -176.136 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 158.53 165.62 16.12 Favored Glycine 0 N--CA 1.444 -0.829 0 C-N-CA 120.229 -0.986 . . . . 0.77 112.696 179.188 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -77.06 -26.8 7.4 Favored 'Trans proline' 0 N--CA 1.464 -0.234 0 C-N-CA 122.503 2.135 . . . . 1.07 110.293 172.739 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 25.5 p-90 -105.14 -14.4 15.4 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 114.712 -1.131 . . . . 4.12 110.208 175.476 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -108.48 55.95 0.63 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.372 0.606 . . . . 1.6 109.897 -175.149 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -100.01 118.2 35.89 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.51 -0.768 . . . . 1.62 110.708 -179.505 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -117.67 102.71 9.37 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.151 0.5 . . . . 1.78 109.742 172.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 36.4 m-20 -78.83 -13.22 59.93 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.673 -0.694 . . . . 2.4 110.823 -175.494 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.447 HD12 HD21 ' A' ' 17' ' ' ASN . 0.1 OUTLIER -71.48 -53.27 14.48 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 109.968 -0.382 . . . . 0.98 109.968 -177.543 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -58.27 -38.6 77.31 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.209 -0.45 . . . . 4.04 111.106 177.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.3 t -65.83 -44.22 86.24 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.135 0.493 . . . . 1.47 109.812 175.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.496 ' HA ' ' H ' ' A' ' 28' ' ' GLY . 54.5 t60 -54.33 -47.9 72.0 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.744 -0.662 . . . . 0.83 110.595 174.041 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.459 ' HA ' ' HG2' ' A' ' 20' ' ' LYS . 92.9 m-20 -62.49 -41.05 98.55 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.864 -0.607 . . . . 0.58 111.026 -179.045 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 67.7 t60 -61.53 -48.89 78.97 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.137 -0.483 . . . . 1.06 111.014 176.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 74.6 m -76.87 -29.52 55.86 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.569 0.581 . . . . 0.56 112.569 -174.582 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.459 ' HG2' ' HA ' ' A' ' 17' ' ' ASN . 61.2 pttt -73.6 -14.62 61.22 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 121.126 0.489 . . . . 2.1 110.032 178.678 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 47.4 t -73.91 -26.36 60.49 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.815 -0.629 . . . . 1.53 109.656 174.506 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 54.6 mt -90.28 117.61 33.91 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.461 0 CA-C-N 115.453 -0.794 . . . . 0.68 109.454 177.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.2 ttmm -69.12 128.42 36.58 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.278 -0.419 . . . . 2.51 110.573 -175.491 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 118.07 -17.03 11.83 Favored Glycine 0 N--CA 1.449 -0.451 0 CA-C-N 115.736 -0.665 . . . . 0.79 112.279 -177.679 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 87.3 m-85 -113.02 141.57 46.71 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 110.105 -0.332 . . . . 0.77 110.105 179.058 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.656 ' HB2' ' CE2' ' A' ' 40' ' ' TYR . 91.0 mttt -80.33 -22.8 41.11 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.326 0.584 . . . . 2.51 110.601 -178.502 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 166.75 -160.11 33.66 Favored Glycine 0 N--CA 1.439 -1.136 0 CA-C-N 115.418 -0.81 . . . . 0.56 111.601 -179.504 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.496 ' H ' ' HA ' ' A' ' 16' ' ' HIS . . . -153.96 161.01 29.74 Favored Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 120.964 -0.636 . . . . 0.63 111.763 -176.588 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -154.5 157.96 39.15 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 110.083 -0.34 . . . . 1.08 110.083 -177.825 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 34.1 m -76.74 102.47 6.24 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.102 -0.499 . . . . 1.1 110.257 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -115.88 -173.9 2.43 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.572 -0.74 . . . . 1.49 110.245 -179.019 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 41.7 tptt 57.18 48.15 15.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.422 0.629 . . . . 2.35 110.332 175.599 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 103.65 -12.44 53.81 Favored Glycine 0 N--CA 1.447 -0.629 0 CA-C-N 115.687 -0.688 . . . . 1.17 111.627 -177.4 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 93.62 13.33 55.58 Favored Glycine 0 N--CA 1.446 -0.671 0 C-N-CA 120.944 -0.646 . . . . 0.87 111.813 -178.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 53.9 m-85 -112.66 -27.77 8.06 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.997 0.427 . . . . 0.98 110.669 -177.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 57.9 t -91.68 110.03 22.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 116.018 -0.537 . . . . 0.73 110.778 -174.513 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 44.0 t -67.1 102.49 1.02 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.766 -0.652 . . . . 1.48 109.533 174.753 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 34.4 ttpt -106.56 147.89 28.9 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.463 -0.335 . . . . 1.56 110.4 -176.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 33.9 m -110.25 141.29 43.43 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.802 -0.635 . . . . 0.59 109.75 -178.355 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.656 ' CE2' ' HB2' ' A' ' 26' ' ' LYS . 52.2 p90 . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.751 -0.643 . . . . 1.72 110.243 179.496 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.686 0 N-CA-C 111.523 -0.631 . . . . 2.06 111.523 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.41 ' O ' ' HB3' ' A' ' 14' ' ' ARG . 39.6 m-85 50.05 67.46 0.9 Allowed 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 122.955 0.502 . . . . 1.06 111.296 176.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 82.52 -47.15 3.7 Favored Glycine 0 N--CA 1.45 -0.425 0 CA-C-N 115.913 -0.585 . . . . 0.93 111.896 -178.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 49.6 t -74.56 119.43 18.74 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 120.977 0.418 . . . . 1.42 110.397 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -110.77 9.8 22.65 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.5 -0.318 . . . . 1.57 110.772 -179.124 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.438 ' HA2' ' O ' ' A' ' 34' ' ' GLY . . . 118.25 -175.69 15.82 Favored Glycine 0 N--CA 1.442 -0.9 0 C-N-CA 120.653 -0.784 . . . . 0.77 112.213 179.212 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -53.25 -31.11 54.5 Favored 'Trans proline' 0 CA--C 1.529 0.237 0 C-N-CA 123.728 2.952 . . . . 1.07 113.608 -175.601 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 8.8 p-90 -74.9 -24.0 58.46 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.857 0.36 . . . . 4.12 111.069 -179.334 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -151.88 71.02 0.96 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.435 -0.58 . . . . 1.6 109.435 -175.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -86.15 150.23 24.56 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.016 -0.735 . . . . 1.62 109.016 178.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.575 ' CG ' ' HD2' ' A' ' 14' ' ' ARG . 6.6 t0 -143.28 98.55 3.28 Favored 'General case' 0 C--N 1.319 -0.72 0 C-N-CA 120.537 -0.465 . . . . 1.78 110.588 -178.696 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -65.09 -30.14 71.06 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.669 -0.696 . . . . 2.4 110.778 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.572 HD12 ' NH2' ' A' ' 14' ' ' ARG . 2.4 tm? -75.36 -52.73 10.08 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.161 -0.472 . . . . 0.98 111.26 -173.175 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.575 ' HD2' ' CG ' ' A' ' 11' ' ' ASP . 0.0 OUTLIER -57.13 -45.53 83.43 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 120.899 -0.32 . . . . 4.04 111.112 178.463 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 74.6 m -58.83 -46.1 88.47 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-O 120.954 0.407 . . . . 1.47 110.16 176.032 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.3 t60 -54.01 -50.89 65.59 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-N 115.85 -0.614 . . . . 0.83 111.027 175.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.464 ' ND2' HD13 ' A' ' 13' ' ' LEU . 98.4 m-20 -62.17 -34.91 77.31 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.169 -0.469 . . . . 0.58 111.703 -177.548 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 65.9 t60 -68.86 -48.74 62.67 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.381 -0.372 . . . . 1.06 110.568 176.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 71.4 m -70.46 -34.99 73.05 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.212 -0.449 . . . . 0.56 112.156 -174.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 57.3 pttt -75.34 -8.49 56.81 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.692 -0.403 . . . . 2.1 110.532 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 17.5 t -84.78 -11.11 56.44 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.402 -0.592 . . . . 1.53 109.402 176.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 47.7 mt -105.2 114.54 45.02 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.492 0 CA-C-N 115.548 -0.751 . . . . 0.68 109.51 178.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 21.8 ttmm -56.12 131.71 48.36 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.07 0.462 . . . . 2.51 110.877 -178.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 114.44 -36.51 3.94 Favored Glycine 0 N--CA 1.447 -0.578 0 CA-C-N 115.546 -0.752 . . . . 0.79 112.031 -176.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 69.4 m-85 -100.92 163.83 12.12 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.634 0.254 . . . . 0.77 110.36 -179.269 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.98 -29.51 2.3 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.37 -0.377 . . . . 2.51 111.277 177.696 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.536 ' HA3' ' CZ ' ' A' ' 40' ' ' TYR . . . -137.73 169.28 24.19 Favored Glycine 0 N--CA 1.444 -0.78 0 C-N-CA 119.618 -1.277 . . . . 0.56 113.166 -176.695 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.614 ' HA2' ' O ' ' A' ' 38' ' ' LYS . . . -156.29 141.35 7.9 Favored Glycine 0 N--CA 1.446 -0.652 0 N-CA-C 111.277 -0.729 . . . . 0.63 111.277 179.437 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -151.81 158.08 42.81 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 117.005 0.402 . . . . 1.08 110.599 -177.205 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 10.1 m -69.62 97.95 1.1 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.101 -0.5 . . . . 1.1 110.331 -179.598 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -99.18 -81.86 0.45 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.221 -0.445 . . . . 1.49 111.448 -176.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -59.2 111.31 1.3 Allowed 'General case' 0 C--O 1.235 0.329 0 CA-C-O 120.969 0.414 . . . . 2.35 111.525 -176.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 70.34 -4.97 7.53 Favored Glycine 0 C--N 1.332 0.315 0 CA-C-N 115.349 -0.841 . . . . 1.17 112.74 179.221 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.438 ' O ' ' HA2' ' A' ' 6' ' ' GLY . . . 81.07 14.49 79.17 Favored Glycine 0 N--CA 1.444 -0.825 0 C-N-CA 120.696 -0.764 . . . . 0.87 111.418 -172.722 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -111.77 -44.74 3.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.892 0.377 . . . . 0.98 110.976 -179.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 60.7 t -78.73 122.19 33.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.908 -0.587 . . . . 0.73 111.677 -173.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 85.2 m -73.3 92.88 1.84 Allowed 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 116.116 -0.493 . . . . 1.48 109.942 173.363 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.614 ' O ' ' HA2' ' A' ' 28' ' ' GLY . 27.8 ttmt -73.71 136.83 43.76 Favored 'General case' 0 CA--C 1.51 -0.574 0 N-CA-C 109.24 -0.652 . . . . 1.56 109.24 176.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 62.5 m -103.6 133.54 48.45 Favored 'General case' 0 C--N 1.309 -1.159 0 CA-C-N 115.852 -0.613 . . . . 0.59 110.219 -177.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.536 ' CZ ' ' HA3' ' A' ' 27' ' ' GLY . 29.8 p90 . . . . . 0 C--O 1.25 1.113 0 CA-C-O 118.595 -0.717 . . . . 1.72 109.536 178.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.736 0 N-CA-C 112.082 -0.407 . . . . 2.06 112.082 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -84.03 64.91 8.43 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.295 0.569 . . . . 1.06 110.257 -178.402 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.484 ' HA2' ' CZ ' ' A' ' 14' ' ' ARG . . . 105.82 -13.63 45.8 Favored Glycine 0 N--CA 1.445 -0.716 0 CA-C-N 115.351 -0.84 . . . . 0.93 111.068 -176.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.48 ' HA ' ' HA ' ' A' ' 10' ' ' GLU . 55.8 m -102.9 107.58 18.46 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 114.961 -0.619 . . . . 1.42 110.083 179.375 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.421 ' HB2' ' HB3' ' A' ' 9' ' ' ASN . 37.8 m-80 -120.26 15.5 12.25 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 120.813 0.339 . . . . 1.57 110.57 -179.652 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 115.28 175.94 18.47 Favored Glycine 0 N--CA 1.443 -0.839 0 C-N-CA 120.615 -0.802 . . . . 0.77 112.237 179.191 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_endo -54.9 -26.88 50.82 Favored 'Trans proline' 0 N--CA 1.473 0.289 0 C-N-CA 123.616 2.877 . . . . 1.07 113.377 -175.24 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 9.8 p-90 -81.26 -22.35 38.76 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.091 -0.504 . . . . 4.12 111.159 -178.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.421 ' HB3' ' HB2' ' A' ' 5' ' ' ASN . 52.7 t-20 -155.06 64.27 0.64 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.224 0.535 . . . . 1.6 110.169 -172.214 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.48 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 7.1 pt-20 -120.15 94.87 4.53 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.373 0.606 . . . . 1.62 110.294 175.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -80.8 102.84 10.24 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.835 -0.62 . . . . 1.78 110.592 -179.428 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -55.93 -36.56 67.89 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.108 -0.951 . . . . 2.4 110.614 178.694 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.4 HD12 HD21 ' A' ' 17' ' ' ASN . 0.1 OUTLIER -65.91 -46.8 76.95 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 115.731 -0.668 . . . . 0.98 110.48 -178.679 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.484 ' CZ ' ' HA2' ' A' ' 3' ' ' GLY . 0.0 OUTLIER -55.48 -49.73 71.77 Favored 'General case' 0 N--CA 1.441 -0.897 0 C-N-CA 123.214 0.606 . . . . 4.04 111.19 179.136 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 48.6 t -60.82 -48.18 82.99 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.402 -0.817 . . . . 1.47 110.127 177.413 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.428 ' NE2' ' HD3' ' A' ' 20' ' ' LYS . 51.3 t60 -52.56 -48.94 65.84 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.008 -0.542 . . . . 0.83 110.913 175.241 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.4 HD21 HD12 ' A' ' 13' ' ' LEU . 93.0 m-20 -59.65 -42.23 92.33 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.014 -0.539 . . . . 0.58 111.214 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 78.4 t60 -62.62 -46.42 88.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 1.06 111.07 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 60.3 m -75.96 -36.87 59.12 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.265 -0.425 . . . . 0.56 112.08 -174.59 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.428 ' HD3' ' NE2' ' A' ' 16' ' ' HIS . 19.3 pttp -72.37 -18.24 61.76 Favored 'General case' 0 N--CA 1.463 0.194 0 C-N-CA 121.006 -0.278 . . . . 2.1 111.202 -176.255 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 12.9 p -92.37 6.36 47.22 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.156 0.503 . . . . 1.53 110.764 179.293 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 68.2 mt -112.41 122.22 66.24 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.497 0 CA-C-N 115.77 -0.65 . . . . 0.68 109.546 176.292 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 25.4 ttpp -60.08 132.33 53.6 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.896 0.379 . . . . 2.51 110.325 178.594 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 110.43 -21.72 23.53 Favored Glycine 0 N--CA 1.447 -0.63 0 CA-C-N 115.865 -0.607 . . . . 0.79 111.896 -176.031 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 69.3 m-85 -119.68 171.86 8.09 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.916 0.388 . . . . 0.77 110.257 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -138.54 -30.35 0.77 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.97 -0.559 . . . . 2.51 111.597 176.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -142.03 170.62 24.86 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 119.8 -1.191 . . . . 0.56 112.712 -177.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.42 ' HA2' ' O ' ' A' ' 38' ' ' LYS . . . -157.04 151.49 22.85 Favored Glycine 0 N--CA 1.445 -0.747 0 C-N-CA 120.785 -0.721 . . . . 0.63 112.108 179.721 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 13.4 p90 -156.95 155.27 31.04 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.839 0.352 . . . . 1.08 110.116 177.206 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.475 ' SG ' ' HB2' ' A' ' 10' ' ' GLU . 3.4 m -80.97 105.19 12.0 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.347 -0.612 . . . . 1.1 109.347 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.74 -84.85 0.22 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.854 -0.612 . . . . 1.49 111.761 -171.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 50.2 mmtm -62.59 106.79 0.83 Allowed 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 116.283 -0.417 . . . . 2.35 111.57 -175.439 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 71.07 -2.26 19.74 Favored Glycine 0 C--N 1.331 0.258 0 CA-C-N 115.406 -0.815 . . . . 1.17 113.371 176.478 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 81.24 7.63 88.19 Favored Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 120.703 -0.761 . . . . 0.87 111.654 -173.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -98.97 -38.64 8.91 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.17 0.51 . . . . 0.98 110.606 179.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 61.9 t -84.78 111.41 20.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.901 -0.591 . . . . 0.73 111.316 -174.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 38.1 t -75.31 105.28 6.25 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.503 -0.771 . . . . 1.48 109.415 174.325 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.42 ' O ' ' HA2' ' A' ' 28' ' ' GLY . 32.1 ttmt -92.24 141.36 28.65 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 110.072 -0.344 . . . . 1.56 110.072 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 73.7 m -115.1 134.64 54.99 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 116.121 -0.49 . . . . 0.59 110.003 179.311 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 41.0 p90 . . . . . 0 C--O 1.251 1.141 0 CA-C-O 118.198 -0.906 . . . . 1.72 109.624 177.459 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.752 0 N-CA-C 112.072 -0.411 . . . . 2.06 112.072 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -84.19 58.96 5.06 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.079 0.466 . . . . 1.06 110.576 -178.052 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 89.5 -26.97 8.26 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 121.054 -0.593 . . . . 0.93 111.81 -177.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.505 ' SG ' ' HB2' ' A' ' 15' ' ' CYS . 84.7 m -89.07 92.39 9.19 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 120.948 0.404 . . . . 1.42 110.52 179.361 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -120.09 34.65 5.14 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.223 -0.444 . . . . 1.57 111.308 -177.426 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 109.65 170.13 20.26 Favored Glycine 0 C--O 1.219 -0.816 0 C-N-CA 120.811 -0.709 . . . . 0.77 113.281 173.123 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.568 ' HA ' ' OE1' ' A' ' 10' ' ' GLU . 9.5 Cg_endo -54.31 -26.61 44.23 Favored 'Trans proline' 0 N--CA 1.473 0.283 0 C-N-CA 123.652 2.901 . . . . 1.07 113.41 -175.415 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -96.55 -4.97 40.34 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.01 -0.541 . . . . 4.12 110.768 -177.673 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -152.97 41.35 0.57 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.868 0.366 . . . . 1.6 110.435 -172.756 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.568 ' OE1' ' HA ' ' A' ' 7' ' ' PRO . 4.6 pt-20 -103.77 89.55 3.36 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.542 0.686 . . . . 1.62 110.875 179.479 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -80.37 91.28 5.66 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.318 -0.855 . . . . 1.78 110.318 178.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -56.4 -33.18 65.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.922 -0.581 . . . . 2.4 110.616 179.14 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.414 HD13 ' ND2' ' A' ' 17' ' ' ASN . 2.8 tm? -57.59 -52.01 67.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.951 -0.568 . . . . 0.98 110.606 179.322 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 62.6 mtp180 -60.38 -46.83 88.56 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.92 -0.582 . . . . 4.04 111.643 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.505 ' HB2' ' SG ' ' A' ' 4' ' ' CYS . 43.5 t -55.4 -48.87 73.69 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.062 0.458 . . . . 1.47 110.266 173.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 33.4 t60 -52.03 -51.46 57.3 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.699 -0.682 . . . . 0.83 111.173 175.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.414 ' ND2' HD13 ' A' ' 13' ' ' LEU . 95.8 m-20 -63.13 -36.28 83.07 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.181 -0.463 . . . . 0.58 111.317 -178.308 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.461 ' O ' HG13 ' A' ' 22' ' ' ILE . 82.4 t60 -63.52 -42.31 98.47 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.804 0.335 . . . . 1.06 110.239 177.014 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.413 ' SG ' ' HA3' ' A' ' 28' ' ' GLY . 83.1 m -72.54 -20.52 61.32 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.059 -0.518 . . . . 0.56 111.366 -179.214 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 30.1 mmmt -79.27 -27.97 42.32 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.125 0.488 . . . . 2.1 110.412 174.386 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 38.6 m -74.31 -14.6 60.92 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.725 -0.67 . . . . 1.53 110.242 175.471 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.461 HG13 ' O ' ' A' ' 18' ' ' HIS . 49.2 mt -101.8 120.39 51.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.162 -0.472 . . . . 0.68 109.848 178.154 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 35.2 ttpt -65.3 136.76 56.96 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.407 -0.36 . . . . 2.51 110.37 179.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 101.33 12.9 34.62 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.733 -0.746 . . . . 0.79 113.198 177.263 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 74.1 m-85 -137.29 158.55 44.18 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 110.129 -0.322 . . . . 0.77 110.129 177.495 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.94 -13.93 8.54 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 111.653 0.242 . . . . 2.51 111.653 179.776 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -163.84 173.93 39.95 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.028 -1.082 . . . . 0.56 112.724 179.021 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.413 ' HA3' ' SG ' ' A' ' 19' ' ' CYS . . . -154.99 152.2 23.76 Favored Glycine 0 N--CA 1.448 -0.541 0 N-CA-C 111.617 -0.593 . . . . 0.63 111.617 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.3 p90 -156.27 156.17 33.59 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.725 0.298 . . . . 1.08 110.212 -178.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.5 m -82.72 102.53 11.59 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.095 0.474 . . . . 1.1 109.73 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -85.19 -79.67 0.23 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.931 -0.577 . . . . 1.49 111.862 -171.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp -67.76 105.59 1.98 Allowed 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 111.964 0.357 . . . . 2.35 111.964 -174.176 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 66.42 11.45 56.39 Favored Glycine 0 C--N 1.33 0.202 0 CA-C-N 115.569 -0.742 . . . . 1.17 113.32 174.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 73.6 9.78 78.83 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.749 -0.738 . . . . 0.87 112.169 -176.392 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 80.9 m-85 -103.93 -37.11 7.53 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 122.544 -0.386 . . . . 0.98 111.428 -179.218 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 45.8 t -92.05 110.9 23.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-O 120.992 0.425 . . . . 0.73 111.215 -173.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 15.8 t -73.79 121.62 21.14 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.527 -0.76 . . . . 1.48 109.813 176.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.408 ' O ' ' HA2' ' A' ' 28' ' ' GLY . 37.2 ttpt -115.84 144.5 43.92 Favored 'General case' 0 CA--C 1.512 -0.494 0 CA-C-O 120.973 0.416 . . . . 1.56 110.547 178.542 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 68.5 m -111.87 137.61 49.6 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.345 -0.843 . . . . 0.59 110.169 -178.494 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 17.0 p90 . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.284 -0.865 . . . . 1.72 110.136 178.323 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.504 0 N-CA-C 111.869 -0.492 . . . . 2.06 111.869 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -108.54 41.66 1.54 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.311 0.577 . . . . 1.06 109.639 179.489 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 141.82 -42.63 1.13 Allowed Glycine 0 N--CA 1.444 -0.775 0 N-CA-C 109.82 -1.312 . . . . 0.93 109.82 -171.092 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.647 ' HA ' ' HA ' ' A' ' 10' ' ' GLU . 30.7 m -84.35 94.02 8.38 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.435 -0.579 . . . . 1.42 109.435 172.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 -123.57 48.88 1.78 Allowed 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.358 -0.383 . . . . 1.57 110.765 -173.424 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 154.28 166.48 15.05 Favored Glycine 0 N--CA 1.446 -0.68 0 C-N-CA 120.534 -0.841 . . . . 0.77 112.16 179.564 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -73.58 -35.13 4.96 Favored 'Trans proline' 0 N--CA 1.466 -0.135 0 C-N-CA 122.456 2.104 . . . . 1.07 110.974 173.488 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 8.1 p-90 -97.17 -5.44 37.1 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.259 -0.882 . . . . 4.12 109.812 176.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 63.2 t30 -128.1 32.28 4.93 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.714 0.768 . . . . 1.6 110.096 -172.066 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.647 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 1.2 pt-20 -92.21 101.6 14.11 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.656 -0.702 . . . . 1.62 110.479 177.497 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -104.08 111.58 24.22 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.18 -0.464 . . . . 1.78 110.426 178.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -74.55 -14.03 60.75 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.912 -0.586 . . . . 2.4 111.387 -176.06 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.447 HD12 ' ND2' ' A' ' 17' ' ' ASN . 0.1 OUTLIER -73.51 -51.72 16.06 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 121.131 -0.227 . . . . 0.98 110.426 -174.459 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.35 -40.73 78.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.541 -0.3 . . . . 4.04 110.918 179.476 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.481 ' HB3' ' HB3' ' A' ' 37' ' ' CYS . 67.6 m -70.44 -34.62 72.67 Favored 'General case' 0 N--CA 1.444 -0.754 0 CA-C-N 116.538 -0.301 . . . . 1.47 111.323 178.245 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 49.6 t60 -60.12 -50.77 72.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.89 0.376 . . . . 0.83 110.093 172.016 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.447 ' ND2' HD12 ' A' ' 13' ' ' LEU . 95.0 m-20 -62.34 -39.91 94.66 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.702 -0.681 . . . . 0.58 110.494 179.356 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 4.3 t-80 -53.73 -67.07 0.29 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.684 -0.689 . . . . 1.06 111.058 174.086 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.4 ' SG ' ' HA3' ' A' ' 28' ' ' GLY . 80.7 m -57.33 -40.0 77.03 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.106 -0.952 . . . . 0.56 112.612 -173.268 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 51.9 pttt -72.68 -11.84 60.79 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.535 -0.466 . . . . 2.1 111.178 -177.433 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.7 m -89.84 -0.02 57.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.241 0.543 . . . . 1.53 110.021 176.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 61.2 mt -106.7 129.16 60.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.619 -0.719 . . . . 0.68 109.326 176.175 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 17.9 ttmm -63.3 129.9 42.22 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.942 -0.392 . . . . 2.51 109.942 -179.435 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 105.4 -13.14 47.75 Favored Glycine 0 N--CA 1.446 -0.656 0 C-N-CA 120.988 -0.625 . . . . 0.79 112.18 -177.002 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 50.8 m-85 -128.52 151.72 49.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.655 0.264 . . . . 0.77 110.71 -179.647 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.56 6.49 3.5 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.426 -0.352 . . . . 2.51 111.713 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.499 ' HA3' ' CE2' ' A' ' 40' ' ' TYR . . . -168.94 165.8 39.2 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.28 -0.962 . . . . 0.56 112.625 177.538 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.474 ' HA2' ' O ' ' A' ' 38' ' ' LYS . . . -161.87 146.18 11.77 Favored Glycine 0 N--CA 1.449 -0.487 0 N-CA-C 111.563 -0.615 . . . . 0.63 111.563 -178.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.568 ' O ' ' HA ' ' A' ' 37' ' ' CYS . 50.8 p90 -148.36 157.97 43.81 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 110.286 -0.264 . . . . 1.08 110.286 -177.158 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -70.98 103.11 2.58 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.263 -0.643 . . . . 1.1 109.263 178.114 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -95.71 -89.0 0.26 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.57 0.224 . . . . 1.49 111.53 -174.439 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -68.19 114.28 6.54 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-O 120.875 0.369 . . . . 2.35 110.955 -173.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 72.43 -0.21 42.97 Favored Glycine 0 N--CA 1.452 -0.246 0 CA-C-N 115.641 -0.709 . . . . 1.17 112.755 178.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 78.12 11.3 85.5 Favored Glycine 0 N--CA 1.447 -0.633 0 C-N-CA 120.767 -0.73 . . . . 0.87 111.703 -174.169 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -113.3 -43.98 3.29 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.037 0.446 . . . . 0.98 110.762 -179.038 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 86.8 t -78.31 104.2 6.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.926 -0.579 . . . . 0.73 110.556 -176.666 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.568 ' HA ' ' O ' ' A' ' 29' ' ' TYR . 85.6 m -77.08 107.16 9.24 Favored 'General case' 0 N--CA 1.44 -0.947 0 CA-C-N 115.935 -0.575 . . . . 1.48 110.784 179.515 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.499 ' HD2' ' N ' ' A' ' 39' ' ' CYS . 2.2 tmmm? -85.59 129.83 34.72 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.733 -0.667 . . . . 1.56 109.447 -178.444 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.499 ' N ' ' HD2' ' A' ' 38' ' ' LYS . 61.1 m -99.44 134.3 42.51 Favored 'General case' 0 C--N 1.31 -1.143 0 CA-C-N 115.0 -1.0 . . . . 0.59 110.131 -177.552 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.499 ' CE2' ' HA3' ' A' ' 27' ' ' GLY . 14.1 p90 . . . . . 0 C--O 1.246 0.881 0 CA-C-O 118.414 -0.803 . . . . 1.72 110.332 179.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.646 0 N-CA-C 111.731 -0.548 . . . . 2.06 111.731 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 55.1 m-85 -84.92 61.81 7.07 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.287 0.565 . . . . 1.06 109.933 -177.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.501 ' HA2' ' CZ ' ' A' ' 14' ' ' ARG . . . 90.77 -42.32 2.89 Favored Glycine 0 N--CA 1.444 -0.8 0 N-CA-C 110.935 -0.866 . . . . 0.93 110.935 -174.796 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 40.5 t -85.55 115.81 23.47 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-N 115.248 -0.476 . . . . 1.42 109.852 174.301 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 39.0 m-80 -125.21 38.37 4.2 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.882 -0.599 . . . . 1.57 109.843 -179.399 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.456 ' HA2' ' O ' ' A' ' 34' ' ' GLY . . . 92.67 175.59 41.47 Favored Glycine 0 N--CA 1.444 -0.821 0 C-N-CA 120.758 -0.734 . . . . 0.77 113.153 176.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -35.91 -37.45 0.23 Allowed 'Trans proline' 0 CA--C 1.53 0.288 1 C-N-CA 125.322 4.015 . . . . 1.07 114.984 -179.378 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -86.38 -5.08 59.25 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.985 -0.552 . . . . 4.12 111.919 -171.284 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 47.0 t30 -170.2 56.24 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.459 0.647 . . . . 1.6 109.592 -178.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.79 65.69 3.05 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.998 -0.546 . . . . 1.62 111.137 -177.512 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -73.23 106.87 5.25 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.944 -0.571 . . . . 1.78 109.932 178.305 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -72.08 -32.41 67.01 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.654 -0.703 . . . . 2.4 111.121 -176.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.416 HD12 HD21 ' A' ' 17' ' ' ASN . 0.1 OUTLIER -64.12 -49.65 71.37 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 116.442 -0.345 . . . . 0.98 111.042 -173.755 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.501 ' CZ ' ' HA2' ' A' ' 3' ' ' GLY . 83.2 mtp180 -53.15 -50.34 64.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.833 0.349 . . . . 4.04 111.465 178.739 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.6 t -63.79 -42.01 97.82 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.229 -0.441 . . . . 1.47 110.697 177.287 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.411 ' O ' ' HG3' ' A' ' 20' ' ' LYS . 66.4 t60 -54.81 -43.83 73.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.908 -0.587 . . . . 0.83 109.989 175.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.416 HD21 HD12 ' A' ' 13' ' ' LEU . 94.9 m-20 -64.91 -45.48 85.74 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.743 -0.662 . . . . 0.58 110.816 176.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 83.8 t60 -57.07 -48.1 79.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.856 -0.611 . . . . 1.06 111.085 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.527 ' O ' ' HB2' ' A' ' 25' ' ' TYR . 84.8 m -67.32 -30.53 70.39 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.173 -0.467 . . . . 0.56 111.368 -177.7 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.411 ' HG3' ' O ' ' A' ' 16' ' ' HIS . 59.3 mtpt -72.19 -32.36 66.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.741 0.305 . . . . 2.1 110.832 178.228 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 18.1 t -65.42 -27.24 68.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.241 0.543 . . . . 1.53 109.818 177.138 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 46.6 mt -88.71 116.6 30.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.775 -0.648 . . . . 0.68 109.364 174.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 35.6 ttmt -63.25 131.51 48.62 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-O 121.432 0.634 . . . . 2.51 110.867 -178.027 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 114.55 -14.94 20.11 Favored Glycine 0 N--CA 1.446 -0.684 0 CA-C-N 115.038 -0.983 . . . . 0.79 112.289 -177.311 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.527 ' HB2' ' O ' ' A' ' 19' ' ' CYS . 60.3 m-85 -123.44 154.48 39.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.917 0.389 . . . . 0.77 111.093 -178.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.403 ' HG2' ' OXT' ' A' ' 40' ' ' TYR . 0.0 OUTLIER -119.15 -8.27 10.18 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.789 -0.641 . . . . 2.51 111.31 -179.174 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 174.76 -176.41 46.98 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.493 -0.861 . . . . 0.56 112.174 178.584 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -139.23 175.88 21.35 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.845 -0.693 . . . . 0.63 112.095 179.444 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.476 ' O ' ' HA ' ' A' ' 37' ' ' CYS . 15.9 p90 -155.48 140.66 17.51 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.834 0.349 . . . . 1.08 110.418 176.631 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 8.3 m -73.39 99.04 2.85 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.942 -0.572 . . . . 1.1 110.184 177.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.416 ' HB2' ' CE2' ' A' ' 29' ' ' TYR . . . -92.33 -82.17 0.33 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.291 -0.413 . . . . 1.49 111.843 -173.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -59.52 106.97 0.52 Allowed 'General case' 0 C--O 1.235 0.309 0 CA-C-N 116.336 -0.393 . . . . 2.35 111.293 -174.177 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 67.64 6.12 41.11 Favored Glycine 0 N--CA 1.451 -0.308 0 CA-C-N 115.818 -0.628 . . . . 1.17 113.009 177.356 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.456 ' O ' ' HA2' ' A' ' 6' ' ' GLY . . . 76.93 8.5 86.73 Favored Glycine 0 N--CA 1.446 -0.667 0 C-N-CA 120.663 -0.78 . . . . 0.87 112.138 -175.192 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 71.4 m-85 -105.28 -43.34 5.03 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.058 0.456 . . . . 0.98 111.021 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 59.1 t -85.37 105.17 13.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.04 -0.527 . . . . 0.73 110.664 -173.536 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.476 ' HA ' ' O ' ' A' ' 29' ' ' TYR . 18.4 t -83.29 125.37 31.54 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.099 -0.5 . . . . 1.48 110.177 179.693 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.571 ' HD2' ' N ' ' A' ' 39' ' ' CYS . 0.0 OUTLIER -114.14 140.82 48.2 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.804 -0.635 . . . . 1.56 109.313 -179.275 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.571 ' N ' ' HD2' ' A' ' 38' ' ' LYS . 82.8 m -87.96 154.91 20.13 Favored 'General case' 0 C--N 1.311 -1.081 0 CA-C-N 115.763 -0.653 . . . . 0.59 111.273 -176.047 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.403 ' OXT' ' HG2' ' A' ' 26' ' ' LYS . 36.3 p90 . . . . . 0 C--O 1.25 1.127 0 CA-C-O 118.853 -0.594 . . . . 1.72 109.575 176.656 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.66 0 N-CA-C 112.057 -0.417 . . . . 2.06 112.057 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 46.7 m-85 -89.65 63.25 6.14 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.19 0.519 . . . . 1.06 109.919 -178.294 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 92.6 -40.89 2.8 Favored Glycine 0 N--CA 1.448 -0.512 0 N-CA-C 111.216 -0.754 . . . . 0.93 111.216 -176.396 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.413 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 34.6 t -68.45 102.76 1.5 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.035 0.445 . . . . 1.42 110.066 177.184 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 31.3 m-80 -111.26 13.38 21.71 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.917 -0.583 . . . . 1.57 110.675 -179.112 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 113.03 -171.33 13.82 Favored Glycine 0 N--CA 1.443 -0.869 0 C-N-CA 120.542 -0.837 . . . . 0.77 112.36 178.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_endo -57.62 -31.32 91.5 Favored 'Trans proline' 0 N--CA 1.473 0.302 0 C-N-CA 123.313 2.675 . . . . 1.07 113.606 -173.625 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 3.0 p-90 -75.32 -13.94 60.45 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.821 0.343 . . . . 4.12 111.313 -178.496 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -168.83 76.04 0.11 Allowed 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.652 -0.499 . . . . 1.6 109.652 -179.341 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.439 ' HB3' ' SG ' ' A' ' 30' ' ' CYS . 39.9 mt-10 -78.1 -25.34 47.47 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.989 0.423 . . . . 1.62 110.195 -179.327 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.7 t70 60.93 -165.5 0.22 Allowed 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.4 -0.818 . . . . 1.78 109.818 179.045 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -171.35 -45.84 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 109.644 -0.502 . . . . 2.4 109.644 -179.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.1 -48.37 78.85 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.47 -0.786 . . . . 0.98 110.247 -178.097 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -62.78 -45.01 94.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.122 -0.49 . . . . 4.04 111.525 -178.31 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.462 ' HB3' ' HB3' ' A' ' 37' ' ' CYS . 91.4 m -58.5 -45.2 89.25 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-O 121.471 0.653 . . . . 1.47 109.979 174.772 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.4 ' NE2' ' HD3' ' A' ' 20' ' ' LYS . 75.0 t60 -60.97 -46.21 91.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.171 -0.922 . . . . 0.83 111.089 178.046 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -56.13 -51.8 66.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.435 . . . . 0.58 111.627 -179.061 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 74.6 t60 -58.43 -43.26 88.65 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.121 -0.491 . . . . 1.06 111.404 -178.135 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 68.8 m -78.42 -28.88 46.88 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 112.077 0.399 . . . . 0.56 112.077 -175.246 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.4 ' HD3' ' NE2' ' A' ' 16' ' ' HIS . 18.3 pttp -81.55 -11.63 59.09 Favored 'General case' 0 N--CA 1.462 0.171 0 C-N-CA 120.546 -0.462 . . . . 2.1 110.698 -179.805 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 29.4 t -75.27 -21.71 58.33 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.343 -0.614 . . . . 1.53 109.343 174.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 28.8 mt -97.32 136.47 28.02 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.55 0 CA-C-N 115.328 -0.851 . . . . 0.68 109.375 179.191 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 56.1 tttt -83.41 132.49 34.97 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 121.297 0.57 . . . . 2.51 110.264 178.435 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 116.23 -16.28 15.18 Favored Glycine 0 N--CA 1.446 -0.653 0 CA-C-N 115.072 -0.967 . . . . 0.79 111.124 -174.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 76.7 m-85 -122.03 153.18 38.94 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 110.123 -0.325 . . . . 0.77 110.123 178.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.84 20.75 4.59 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.793 0.33 . . . . 2.51 111.615 -178.115 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 166.1 171.71 32.59 Favored Glycine 0 N--CA 1.444 -0.833 0 C-N-CA 120.109 -1.044 . . . . 0.56 113.138 176.414 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.576 ' HA2' ' O ' ' A' ' 38' ' ' LYS . . . -149.85 149.02 20.88 Favored Glycine 0 N--CA 1.447 -0.624 0 N-CA-C 111.611 -0.596 . . . . 0.63 111.611 179.449 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.9 p90 -156.42 154.51 30.58 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 110.269 -0.271 . . . . 1.08 110.269 -179.031 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.439 ' SG ' ' HB3' ' A' ' 10' ' ' GLU . 33.7 m -65.46 117.77 8.45 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 110.161 -0.311 . . . . 1.1 110.161 178.762 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -134.98 -73.71 0.47 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.463 -0.335 . . . . 1.49 111.466 -179.074 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -61.24 112.53 2.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.3 -0.409 . . . . 2.35 110.561 -178.066 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 74.03 -8.85 10.54 Favored Glycine 0 CA--C 1.52 0.382 0 C-N-CA 121.202 -0.523 . . . . 1.17 112.634 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 80.67 4.87 90.22 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 121.383 -0.436 . . . . 0.87 112.606 -177.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -123.69 -8.28 7.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.863 0.364 . . . . 0.98 111.421 -178.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 71.3 t -103.63 121.68 55.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.429 -0.35 . . . . 0.73 111.416 -177.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.462 ' HB3' ' HB3' ' A' ' 15' ' ' CYS . 45.1 m -69.63 95.35 0.85 Allowed 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 116.155 -0.475 . . . . 1.48 109.888 172.428 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.576 ' O ' ' HA2' ' A' ' 28' ' ' GLY . 25.9 ttmt -73.43 138.68 45.36 Favored 'General case' 0 CA--C 1.514 -0.43 0 N-CA-C 109.625 -0.509 . . . . 1.56 109.625 177.738 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 60.3 m -100.21 133.91 43.91 Favored 'General case' 0 C--N 1.315 -0.935 0 CA-C-N 115.982 -0.554 . . . . 0.59 110.03 -179.52 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 21.5 p90 . . . . . 0 C--O 1.247 0.933 0 CA-C-O 118.462 -0.78 . . . . 1.72 110.309 -179.654 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.81 0 N-CA-C 112.103 -0.399 . . . . 2.06 112.103 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -82.12 66.75 7.85 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.537 0.684 . . . . 1.06 109.799 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.415 ' C ' ' HB2' ' A' ' 11' ' ' ASP . . . 86.08 -49.31 4.09 Favored Glycine 0 N--CA 1.445 -0.75 0 CA-C-N 115.042 -0.981 . . . . 0.93 111.159 -176.667 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 49.8 t -70.02 127.54 33.21 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.428 -0.386 . . . . 1.42 110.165 178.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 46.0 m-80 -136.14 34.75 2.81 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.064 0.459 . . . . 1.57 110.664 179.591 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 119.36 170.34 14.53 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.768 -0.729 . . . . 0.77 112.491 177.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_exo -54.89 -37.69 92.87 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 123.265 2.644 . . . . 1.07 111.944 -178.549 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -64.91 -27.52 68.91 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 114.975 -1.011 . . . . 4.12 111.028 -178.353 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -139.65 67.13 1.39 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.328 0.585 . . . . 1.6 109.972 -177.474 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -85.19 80.57 9.16 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.604 -0.726 . . . . 1.62 110.419 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.415 ' HB2' ' C ' ' A' ' 3' ' ' GLY . 1.0 OUTLIER -65.9 90.15 0.13 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.361 0.601 . . . . 1.78 110.47 175.64 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -68.6 -38.11 80.34 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.087 -0.961 . . . . 2.4 111.225 -174.473 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.46 HD12 ' ND2' ' A' ' 17' ' ' ASN . 0.1 OUTLIER -72.55 -40.67 66.51 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 110.247 -0.279 . . . . 0.98 110.247 -175.565 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 25.6 mmm180 -55.06 -54.17 46.47 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.522 -0.308 . . . . 4.04 110.709 175.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.6 t -60.67 -42.57 97.34 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.0 -0.545 . . . . 1.47 110.324 176.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.435 ' HA ' ' H ' ' A' ' 28' ' ' GLY . 50.8 t60 -57.23 -47.27 81.77 Favored 'General case' 0 CA--C 1.528 0.132 0 CA-C-N 115.976 -0.556 . . . . 0.83 110.543 177.413 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.46 ' ND2' HD12 ' A' ' 13' ' ' LEU . 82.7 m-20 -63.34 -41.52 98.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.907 -0.588 . . . . 0.58 110.986 179.192 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 71.1 t60 -59.65 -44.68 93.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.934 -0.576 . . . . 1.06 110.784 178.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 76.7 m -78.24 -24.98 46.7 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.291 -0.413 . . . . 0.56 111.676 -177.242 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.401 ' HG3' ' O ' ' A' ' 16' ' ' HIS . 58.0 mtpt -66.43 -32.69 74.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.925 0.393 . . . . 2.1 110.018 173.374 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 23.1 t -66.57 -27.53 67.8 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.706 -0.679 . . . . 1.53 110.172 177.535 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 45.6 mt -86.2 111.45 21.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.109 -0.496 . . . . 0.68 110.045 178.392 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 22.3 ttmm -59.3 135.19 57.57 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.339 -0.392 . . . . 2.51 110.404 -179.569 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 111.31 -35.6 4.66 Favored Glycine 0 N--CA 1.446 -0.641 0 CA-C-N 115.69 -0.686 . . . . 0.79 111.584 -176.26 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 71.8 m-85 -103.02 161.5 13.71 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 110.251 -0.277 . . . . 0.77 110.251 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -124.97 4.82 7.99 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.718 0.294 . . . . 2.51 111.248 179.281 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 168.63 -178.39 42.11 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.477 -0.868 . . . . 0.56 112.265 177.582 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.435 ' H ' ' HA ' ' A' ' 16' ' ' HIS . . . -157.82 165.39 33.59 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.847 -0.692 . . . . 0.63 112.074 -178.617 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 7.9 p90 -148.82 167.23 26.2 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.866 0.365 . . . . 1.08 110.807 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 57.0 m -77.76 97.91 5.35 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.828 -0.624 . . . . 1.1 110.685 -179.296 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -100.24 -175.73 3.02 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.741 -0.663 . . . . 1.49 110.769 -178.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt 55.16 50.93 14.14 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 115.904 -0.589 . . . . 2.35 111.411 177.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 92.69 4.34 65.63 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.983 -0.627 . . . . 1.17 112.17 179.011 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 86.21 42.84 6.48 Favored Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 120.82 -0.705 . . . . 0.87 112.194 -178.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -134.03 -46.86 0.78 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.851 0.357 . . . . 0.98 111.525 -178.529 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 58.1 t -84.2 128.56 38.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.297 -0.411 . . . . 0.73 111.252 -174.113 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 41.1 t -76.66 93.31 3.61 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.264 -0.425 . . . . 1.48 109.872 178.344 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 32.8 ttpt -94.87 144.67 25.47 Favored 'General case' 0 CA--C 1.512 -0.492 0 N-CA-C 110.002 -0.37 . . . . 1.56 110.002 -179.608 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 60.8 m -107.8 142.53 37.69 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-N 115.949 -0.568 . . . . 0.59 111.147 -173.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 21.8 p90 . . . . . 0 C--O 1.25 1.111 0 CA-C-O 118.771 -0.633 . . . . 1.72 110.248 177.657 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.703 0 N-CA-C 111.643 -0.583 . . . . 2.06 111.643 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.433 ' O ' ' HB3' ' A' ' 14' ' ' ARG . 79.5 m-85 -116.96 18.8 14.6 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.005 0.431 . . . . 1.06 111.082 -179.811 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.432 ' HA3' ' CB ' ' A' ' 14' ' ' ARG . . . 151.4 -32.89 0.93 Allowed Glycine 0 N--CA 1.445 -0.703 0 CA-C-N 115.914 -0.584 . . . . 0.93 111.924 179.429 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.47 ' C ' HD22 ' A' ' 5' ' ' ASN . 11.4 t -86.89 135.39 33.33 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.683 0.278 . . . . 1.42 110.41 -179.01 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.47 HD22 ' C ' ' A' ' 4' ' ' CYS . 0.9 OUTLIER -121.18 1.65 10.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.617 0.246 . . . . 1.57 111.429 -177.904 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 133.53 176.62 14.48 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.691 -0.766 . . . . 0.77 111.665 -177.203 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_endo -57.17 -29.15 82.44 Favored 'Trans proline' 0 C--O 1.233 0.24 0 C-N-CA 123.198 2.599 . . . . 1.07 112.54 -178.684 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 7.0 p-90 -69.67 -27.01 64.66 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.725 -0.671 . . . . 4.12 110.664 178.001 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -144.92 72.24 1.33 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.8 -0.636 . . . . 1.6 109.604 -174.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -91.56 109.2 20.5 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.441 -0.8 . . . . 1.62 110.677 -179.593 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -107.04 73.72 0.95 Allowed 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.791 -0.64 . . . . 1.78 109.997 176.707 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -60.69 -28.67 68.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.314 -0.857 . . . . 2.4 110.411 -178.472 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.461 HD12 ' ND2' ' A' ' 17' ' ' ASN . 0.1 OUTLIER -62.32 -47.25 85.09 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 116.138 -0.483 . . . . 0.98 109.918 178.785 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.433 ' HB3' ' O ' ' A' ' 2' ' ' PHE . 19.7 mmm180 -57.02 -48.93 77.32 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.092 -0.503 . . . . 4.04 111.109 176.386 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 38.4 m -56.08 -46.69 78.92 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-N 115.767 -0.651 . . . . 1.47 110.337 175.512 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.489 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 75.0 t60 -57.16 -51.13 70.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.919 -0.582 . . . . 0.83 110.925 176.583 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.461 ' ND2' HD12 ' A' ' 13' ' ' LEU . 91.5 m-20 -61.11 -32.63 72.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.388 -0.369 . . . . 0.58 111.448 -178.313 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 78.9 t60 -71.86 -46.77 56.78 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.845 0.355 . . . . 1.06 110.829 176.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 84.2 m -71.74 -29.6 64.7 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.216 -0.447 . . . . 0.56 111.813 -174.707 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.489 ' HG2' ' O ' ' A' ' 16' ' ' HIS . 21.5 ptmt -78.04 -4.62 48.12 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 121.021 0.439 . . . . 2.1 110.582 177.129 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 25.3 t -89.46 -3.95 58.18 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.248 -0.649 . . . . 1.53 109.248 173.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 50.8 mt -111.89 126.22 69.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.435 -0.802 . . . . 0.68 109.513 179.248 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -63.73 136.83 57.76 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.899 0.381 . . . . 2.51 110.779 -178.552 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 103.58 -38.0 3.46 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 121.076 -0.583 . . . . 0.79 112.1 179.24 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 83.0 m-85 -88.82 148.62 23.81 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.723 0.297 . . . . 0.77 110.338 -178.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -116.73 -20.88 9.33 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.299 -0.41 . . . . 2.51 111.718 -177.347 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.429 ' HA3' ' CZ ' ' A' ' 40' ' ' TYR . . . -153.92 174.89 32.37 Favored Glycine 0 N--CA 1.444 -0.773 0 C-N-CA 119.315 -1.421 . . . . 0.56 113.913 -177.404 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.532 ' HA2' ' O ' ' A' ' 38' ' ' LYS . . . -156.38 153.65 24.9 Favored Glycine 0 N--CA 1.444 -0.787 0 N-CA-C 111.106 -0.798 . . . . 0.63 111.106 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 6.8 p90 -164.45 166.41 20.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.83 0.315 . . . . 1.08 110.325 -177.502 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 62.9 m -78.09 100.93 6.74 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 121.297 0.57 . . . . 1.1 110.969 -179.696 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -117.83 -166.83 1.24 Allowed 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.53 -0.759 . . . . 1.49 109.633 177.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.424 ' HB3' ' HB ' ' A' ' 36' ' ' VAL . 26.2 tptp 57.06 52.25 9.38 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-O 121.719 0.771 . . . . 2.35 109.779 178.032 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 95.08 -11.2 69.6 Favored Glycine 0 N--CA 1.45 -0.427 0 CA-C-N 115.393 -0.821 . . . . 1.17 111.758 -177.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 95.73 33.0 6.59 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 121.067 -0.587 . . . . 0.87 111.917 -178.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -129.1 -38.87 1.59 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.129 0.49 . . . . 0.98 111.051 -178.13 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.424 ' HB ' ' HB3' ' A' ' 32' ' ' LYS . 95.8 t -88.61 130.01 38.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.867 -0.606 . . . . 0.73 111.252 -173.372 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 93.6 m -74.58 87.82 2.14 Favored 'General case' 0 N--CA 1.444 -0.745 0 CA-C-N 116.016 -0.538 . . . . 1.48 110.379 175.519 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.532 ' O ' ' HA2' ' A' ' 28' ' ' GLY . 37.7 ttmt -72.03 144.33 48.82 Favored 'General case' 0 CA--C 1.513 -0.446 0 N-CA-C 110.057 -0.349 . . . . 1.56 110.057 178.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 85.7 m -110.45 134.35 52.42 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 115.804 -0.635 . . . . 0.59 109.648 176.269 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.429 ' CZ ' ' HA3' ' A' ' 27' ' ' GLY . 42.0 p90 . . . . . 0 C--O 1.25 1.108 0 CA-C-O 118.563 -0.732 . . . . 1.72 109.778 178.39 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.719 0 N-CA-C 111.86 -0.496 . . . . 2.06 111.86 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.588 ' O ' ' HB3' ' A' ' 14' ' ' ARG . 22.3 m-85 65.04 8.3 4.64 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.459 0.703 . . . . 1.06 111.994 177.054 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.566 ' HA3' ' CB ' ' A' ' 14' ' ' ARG . . . 144.22 -13.69 2.09 Favored Glycine 0 N--CA 1.443 -0.893 0 N-CA-C 110.916 -0.874 . . . . 0.93 110.916 -175.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.401 ' HA ' ' HA ' ' A' ' 10' ' ' GLU . 88.0 m -92.69 126.53 37.82 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.922 0.391 . . . . 1.42 111.238 176.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 38.1 m-80 -127.64 29.74 5.43 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.464 0.65 . . . . 1.57 109.931 176.469 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.519 ' O ' ' HG3' ' A' ' 10' ' ' GLU . . . 117.7 164.05 13.08 Favored Glycine 0 C--O 1.223 -0.552 0 CA-C-N 115.248 -0.887 . . . . 0.77 112.078 178.49 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -64.83 -15.3 49.61 Favored 'Trans proline' 0 N--CA 1.472 0.22 0 C-N-CA 123.086 2.524 . . . . 1.07 112.317 -177.326 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 12.1 p-90 -89.64 -14.8 34.11 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.282 -0.872 . . . . 4.12 110.545 177.172 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -153.79 55.92 0.73 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.564 0.697 . . . . 1.6 111.021 -172.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.519 ' HG3' ' O ' ' A' ' 6' ' ' GLY . 0.0 OUTLIER -103.4 133.05 49.1 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.182 -0.463 . . . . 1.62 110.307 173.076 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.475 ' OD2' ' HG2' ' A' ' 14' ' ' ARG . 19.8 t70 -102.45 115.42 30.53 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.053 0.454 . . . . 1.78 110.884 -176.268 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -66.89 -32.39 73.61 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.428 -0.806 . . . . 2.4 111.033 -176.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.425 HD12 ' ND2' ' A' ' 17' ' ' ASN . 0.1 OUTLIER -68.83 -43.4 75.6 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.879 -0.6 . . . . 0.98 109.793 -177.721 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.588 ' HB3' ' O ' ' A' ' 2' ' ' PHE . 24.6 mmm180 -55.28 -53.6 54.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.911 -0.586 . . . . 4.04 111.105 176.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 66.2 m -54.46 -42.52 70.75 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 116.383 -0.371 . . . . 1.47 110.694 176.54 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 57.6 t60 -59.2 -52.89 63.75 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.403 -0.362 . . . . 0.83 110.751 175.594 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.425 ' ND2' HD12 ' A' ' 13' ' ' LEU . 92.7 m-20 -60.12 -41.06 91.82 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.14 -0.482 . . . . 0.58 111.316 -178.026 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 84.2 t60 -62.64 -48.05 81.06 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.842 -0.617 . . . . 1.06 111.127 179.302 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 74.7 m -77.98 -31.82 50.94 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 112.455 0.539 . . . . 0.56 112.455 -174.556 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 58.3 pttt -69.79 -20.38 63.47 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.962 0.41 . . . . 2.1 110.404 -179.442 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 29.2 t -85.3 -2.2 57.8 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 115.931 -0.577 . . . . 1.53 110.087 179.205 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 54.8 mt -109.68 115.31 49.31 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.508 0 CA-C-N 115.816 -0.629 . . . . 0.68 109.424 177.55 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 26.3 ttpp -55.68 133.63 50.83 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.922 0.391 . . . . 2.51 110.378 -179.24 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 109.63 -34.05 5.71 Favored Glycine 0 N--CA 1.448 -0.531 0 CA-C-N 115.758 -0.655 . . . . 0.79 111.884 -176.142 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -112.05 150.59 30.44 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.764 -0.458 . . . . 0.77 109.764 -179.392 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.402 ' HG3' ' HE2' ' A' ' 40' ' ' TYR . 0.0 OUTLIER -117.02 -6.0 11.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.328 0.585 . . . . 2.51 110.695 179.871 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 179.77 179.19 48.77 Favored Glycine 0 N--CA 1.445 -0.711 0 C-N-CA 120.957 -0.639 . . . . 0.56 111.558 -179.279 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -160.38 170.23 36.35 Favored Glycine 0 N--CA 1.445 -0.762 0 C-N-CA 120.364 -0.922 . . . . 0.63 112.419 -178.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 8.9 p90 -143.13 152.34 41.7 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 110.057 -0.349 . . . . 1.08 110.057 -179.226 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.5 t -80.48 120.38 24.4 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.128 0.489 . . . . 1.1 110.543 -177.064 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -136.66 -166.58 1.92 Allowed 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.626 -0.715 . . . . 1.49 110.247 -178.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 47.2 mmtm 53.89 58.71 4.82 Favored 'General case' 0 C--O 1.233 0.188 0 O-C-N 123.668 0.605 . . . . 2.35 111.226 179.426 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 94.58 -6.18 70.64 Favored Glycine 0 N--CA 1.447 -0.622 0 CA-C-N 115.53 -0.759 . . . . 1.17 111.689 -179.105 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 84.23 38.06 10.45 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.985 -0.626 . . . . 0.87 112.126 -178.576 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.432 ' CE2' ' HA2' ' A' ' 6' ' ' GLY . 96.9 m-85 -134.23 -21.93 1.8 Allowed 'General case' 0 C--O 1.233 0.215 0 N-CA-C 112.062 0.393 . . . . 0.98 112.062 178.796 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 61.6 t -98.54 113.64 33.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 C-N-CA 121.04 -0.264 . . . . 0.73 111.354 -175.073 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 51.7 m -71.36 78.19 0.75 Allowed 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 116.31 -0.404 . . . . 1.48 110.392 173.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 19.7 ttpp -72.84 144.82 47.32 Favored 'General case' 0 CA--C 1.514 -0.411 0 CA-C-O 120.901 0.381 . . . . 1.56 110.24 -177.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 59.0 m -104.4 160.98 14.47 Favored 'General case' 0 C--N 1.313 -1.007 0 CA-C-N 115.77 -0.65 . . . . 0.59 110.46 -175.305 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.402 ' HE2' ' HG3' ' A' ' 26' ' ' LYS . 4.4 p90 . . . . . 0 C--O 1.25 1.118 0 CA-C-O 118.746 -0.645 . . . . 1.72 110.557 176.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.718 0 N-CA-C 112.306 -0.317 . . . . 2.06 112.306 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 63.5 m-85 -128.76 63.94 1.45 Allowed 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.391 -0.596 . . . . 1.06 109.391 179.369 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.481 ' O ' ' HB2' ' A' ' 11' ' ' ASP . . . 93.5 46.46 3.23 Favored Glycine 0 N--CA 1.442 -0.921 0 N-CA-C 110.765 -0.934 . . . . 0.93 110.765 -172.315 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 45.3 t -161.57 95.01 0.99 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.136 -0.532 . . . . 1.42 109.895 -178.181 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 35.4 m-80 -108.72 33.83 4.0 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.167 0.508 . . . . 1.57 110.717 -177.642 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 109.78 171.94 20.41 Favored Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.894 -0.669 . . . . 0.77 112.717 176.215 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -53.96 -29.09 52.54 Favored 'Trans proline' 0 C--O 1.233 0.257 0 C-N-CA 123.536 2.824 . . . . 1.07 113.185 -176.497 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 25.5 p-90 -81.66 -19.36 41.84 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.287 -0.415 . . . . 4.12 110.965 -179.165 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -144.51 47.96 1.36 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.272 0.558 . . . . 1.6 110.585 -173.205 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -99.75 96.5 7.65 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.739 -0.664 . . . . 1.62 110.44 178.806 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.481 ' HB2' ' O ' ' A' ' 3' ' ' GLY . 10.1 m-20 -62.02 -45.05 95.29 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.543 -0.54 . . . . 1.78 109.543 175.697 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.2 t70 73.41 -37.45 0.38 Allowed 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 124.218 1.007 . . . . 2.4 111.236 173.321 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.452 ' H ' ' C ' ' A' ' 11' ' ' ASP . 0.1 OUTLIER -69.82 -42.29 73.84 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.219 -0.901 . . . . 0.98 109.427 -179.477 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 67.6 mtp180 -57.38 -46.36 83.48 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.157 -0.929 . . . . 4.04 111.312 178.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 88.3 m -60.06 -40.89 91.03 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.874 0.369 . . . . 1.47 110.935 174.233 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.402 ' NE2' ' HD3' ' A' ' 20' ' ' LYS . 69.3 t60 -59.8 -48.98 79.49 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.051 -0.522 . . . . 0.83 110.489 176.223 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -61.26 -43.13 99.38 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.921 -0.582 . . . . 0.58 110.725 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 81.9 t60 -57.06 -49.7 75.05 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.981 -0.554 . . . . 1.06 111.213 177.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.448 ' O ' ' HB2' ' A' ' 25' ' ' TYR . 54.2 m -84.83 -28.93 25.74 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 113.068 0.766 . . . . 0.56 113.068 -172.486 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.402 ' HD3' ' NE2' ' A' ' 16' ' ' HIS . 17.0 pttm -72.93 -12.65 61.03 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.118 -0.633 . . . . 2.1 110.149 179.651 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 28.4 t -87.79 -24.1 23.86 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.816 -0.629 . . . . 1.53 110.036 176.008 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 72.5 mt -79.01 121.26 31.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 109.592 -0.522 . . . . 0.68 109.592 178.601 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 23.6 ttpp -56.84 128.5 37.0 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.222 -0.445 . . . . 2.51 110.354 -178.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 106.85 -20.06 34.5 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.782 -0.723 . . . . 0.79 112.405 -177.21 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.448 ' HB2' ' O ' ' A' ' 19' ' ' CYS . 70.6 m-85 -117.27 155.44 29.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.891 0.377 . . . . 0.77 110.626 178.108 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.34 -3.58 2.41 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.012 -0.54 . . . . 2.51 111.285 178.144 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.49 ' HA3' ' CZ ' ' A' ' 40' ' ' TYR . . . -152.19 165.87 30.91 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.321 -0.942 . . . . 0.56 113.047 179.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.632 ' HA2' ' O ' ' A' ' 38' ' ' LYS . . . -167.94 111.0 0.42 Allowed Glycine 0 C--O 1.227 -0.292 0 N-CA-C 111.215 -0.754 . . . . 0.63 111.215 178.494 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.486 ' O ' ' HA ' ' A' ' 37' ' ' CYS . 6.1 p90 -135.55 151.4 50.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 117.129 0.464 . . . . 1.08 111.165 -171.326 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 19.0 m -74.29 102.36 4.33 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.883 -0.414 . . . . 1.1 109.883 179.568 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -98.13 -77.57 0.5 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.011 0.434 . . . . 1.49 111.066 -177.427 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp -67.69 116.36 8.31 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.964 -0.562 . . . . 2.35 111.491 -175.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 69.63 1.55 31.07 Favored Glycine 0 C--N 1.33 0.231 0 CA-C-N 115.496 -0.774 . . . . 1.17 113.404 175.07 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 71.88 19.14 78.03 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.544 -0.836 . . . . 0.87 111.567 -173.705 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 58.5 m-85 -120.31 -37.73 3.01 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.639 0.257 . . . . 0.98 111.4 179.39 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 61.4 t -83.25 104.88 12.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 120.843 0.354 . . . . 0.73 111.322 -175.408 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.486 ' HA ' ' O ' ' A' ' 29' ' ' TYR . 95.5 m -77.42 92.97 4.02 Favored 'General case' 0 N--CA 1.443 -0.778 0 CA-C-N 115.861 -0.609 . . . . 1.48 110.224 174.795 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.632 ' O ' ' HA2' ' A' ' 28' ' ' GLY . 36.7 ttpt -76.3 141.66 41.55 Favored 'General case' 0 CA--C 1.508 -0.669 0 N-CA-C 109.367 -0.605 . . . . 1.56 109.367 178.165 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 84.1 m -123.35 133.85 54.08 Favored 'General case' 0 C--N 1.308 -1.225 0 CA-C-N 115.933 -0.576 . . . . 0.59 110.445 -175.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.49 ' CZ ' ' HA3' ' A' ' 27' ' ' GLY . 23.0 p90 . . . . . 0 C--O 1.248 0.998 0 CA-C-O 118.029 -0.986 . . . . 1.72 109.982 -174.69 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.732 0 N-CA-C 111.759 -0.536 . . . . 2.06 111.759 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -103.16 27.0 7.59 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.87 0.367 . . . . 1.06 110.736 -177.515 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.405 ' HA3' ' CB ' ' A' ' 14' ' ' ARG . . . 67.4 33.69 82.73 Favored Glycine 0 N--CA 1.449 -0.48 0 CA-C-N 115.795 -0.639 . . . . 0.93 111.95 -178.414 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.474 ' HA ' ' HA ' ' A' ' 10' ' ' GLU . 24.9 t -122.13 -89.95 0.59 Allowed 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.918 -0.401 . . . . 1.42 109.918 -179.314 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 58.67 23.71 11.32 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 112.981 0.734 . . . . 1.57 112.981 174.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 111.04 159.13 15.84 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.527 -0.844 . . . . 0.77 113.216 175.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.526 ' HA ' ' CG ' ' A' ' 10' ' ' GLU . 16.6 Cg_endo -59.72 -25.93 80.61 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 123.537 2.825 . . . . 1.07 113.252 -173.685 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 17.1 p-90 -72.48 -15.64 61.8 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.67 -0.695 . . . . 4.12 111.678 -178.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -134.39 -18.98 1.94 Allowed 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.384 0.513 . . . . 1.6 112.384 -170.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.526 ' CG ' ' HA ' ' A' ' 7' ' ' PRO . 0.0 OUTLIER -60.85 145.1 51.26 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 113.262 0.838 . . . . 1.62 113.262 -171.807 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.469 ' OD2' ' HD3' ' A' ' 14' ' ' ARG . 20.5 t70 -130.5 130.82 44.66 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 114.557 -1.202 . . . . 1.78 109.474 176.091 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 34.4 m-20 -67.16 -25.06 65.97 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.676 -0.693 . . . . 2.4 111.861 -174.205 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.466 HD12 ' ND2' ' A' ' 17' ' ' ASN . 0.1 OUTLIER -75.66 -47.85 24.6 Favored 'General case' 0 N--CA 1.449 -0.519 0 N-CA-C 110.435 -0.209 . . . . 0.98 110.435 -175.611 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.469 ' HD3' ' OD2' ' A' ' 11' ' ' ASP . 9.2 mpt_? -59.43 -48.23 82.44 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 121.212 -0.195 . . . . 4.04 111.323 179.136 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 38.8 t -60.88 -43.62 98.19 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.953 -0.388 . . . . 1.47 109.953 177.594 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 75.0 t60 -58.05 -50.28 73.99 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.254 -0.43 . . . . 0.83 111.033 175.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.466 ' ND2' HD12 ' A' ' 13' ' ' LEU . 91.5 m-20 -61.03 -45.36 95.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.169 -0.469 . . . . 0.58 111.097 -178.188 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 49.2 t60 -57.78 -49.95 74.89 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.223 -0.444 . . . . 1.06 110.795 178.151 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 89.5 m -68.71 -39.44 80.46 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.018 -0.537 . . . . 0.56 112.237 -174.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 44.4 pttt -73.84 -12.19 60.61 Favored 'General case' 0 N--CA 1.463 0.195 0 C-N-CA 120.354 -0.538 . . . . 2.1 110.937 -179.506 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 55.6 m -81.15 -11.21 59.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.379 0.609 . . . . 1.53 109.978 175.038 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 62.6 mt -99.29 121.34 49.79 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.531 0 CA-C-N 115.441 -0.8 . . . . 0.68 109.184 177.283 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.5 ttmp? -63.53 131.15 47.18 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-O 121.342 0.592 . . . . 2.51 110.571 -177.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 109.9 -20.04 27.18 Favored Glycine 0 N--CA 1.445 -0.745 0 CA-C-N 115.059 -0.973 . . . . 0.79 111.975 -175.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 64.4 m-85 -114.91 158.26 22.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.574 0.226 . . . . 0.77 110.435 179.025 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -127.09 -19.49 4.36 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.499 -0.319 . . . . 2.51 111.853 179.719 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -156.05 -179.46 31.12 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.304 -0.95 . . . . 0.56 112.593 179.384 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -159.29 152.67 23.69 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.674 -0.774 . . . . 0.63 112.666 -179.228 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 15.6 p90 -149.54 146.65 27.47 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 110.05 -0.352 . . . . 1.08 110.05 177.284 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.429 ' O ' ' HA2' ' A' ' 34' ' ' GLY . 81.5 m -79.21 101.12 7.81 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.042 0.448 . . . . 1.1 110.71 178.447 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -104.5 -168.3 1.47 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.325 -0.852 . . . . 1.49 110.297 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt 52.61 60.24 3.94 Favored 'General case' 0 C--O 1.234 0.245 0 O-C-N 123.66 0.6 . . . . 2.35 110.823 179.644 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 90.46 -10.01 75.79 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.96 -0.638 . . . . 1.17 111.812 -179.043 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.429 ' HA2' ' O ' ' A' ' 30' ' ' CYS . . . 93.36 14.5 53.65 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 121.038 -0.601 . . . . 0.87 112.17 -179.128 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -103.74 -27.68 12.11 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.811 0.338 . . . . 0.98 111.201 -178.076 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.418 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 45.7 t -99.44 111.17 28.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.457 -0.338 . . . . 0.73 111.362 -172.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 44.5 t -68.06 95.19 0.54 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.331 -0.618 . . . . 1.48 109.331 174.419 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.573 ' HD2' ' N ' ' A' ' 39' ' ' CYS . 1.6 tmmm? -95.05 134.31 37.88 Favored 'General case' 0 CA--C 1.513 -0.454 0 CA-C-O 121.244 0.545 . . . . 1.56 109.616 -177.388 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.573 ' N ' ' HD2' ' A' ' 38' ' ' LYS . 65.4 m -101.12 140.68 35.08 Favored 'General case' 0 C--N 1.308 -1.226 0 CA-C-N 114.978 -1.01 . . . . 0.59 111.064 -174.209 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 37.7 p90 . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.437 -0.792 . . . . 1.72 110.117 176.338 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.808 0 N-CA-C 112.505 -0.238 . . . . 2.06 112.505 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 56.96 37.95 29.09 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 123.093 0.557 . . . . 1.06 110.717 -178.22 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.444 ' HA3' ' CB ' ' A' ' 14' ' ' ARG . . . 97.72 -28.14 15.71 Favored Glycine 0 N--CA 1.445 -0.716 0 CA-C-N 115.729 -0.669 . . . . 0.93 112.491 -179.234 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.498 ' HA ' ' HA ' ' A' ' 10' ' ' GLU . 42.6 t -93.98 113.49 25.49 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 120.98 0.419 . . . . 1.42 110.655 -178.511 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.473 ' HB2' ' ND2' ' A' ' 9' ' ' ASN . 56.9 m-80 -129.99 38.63 3.78 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.044 -0.526 . . . . 1.57 110.39 178.768 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.496 ' O ' ' HG3' ' A' ' 10' ' ' GLU . . . 147.36 171.72 16.78 Favored Glycine 0 N--CA 1.447 -0.615 0 CA-C-N 115.871 -0.604 . . . . 0.77 112.34 176.687 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.426 ' HD3' ' CE2' ' A' ' 35' ' ' PHE . 72.0 Cg_endo -76.47 -17.01 16.74 Favored 'Trans proline' 0 C--N 1.335 -0.164 0 C-N-CA 123.37 2.713 . . . . 1.07 111.816 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 4.5 p-90 -116.78 6.69 13.24 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.293 -0.867 . . . . 4.12 109.847 177.602 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.473 ' ND2' ' HB2' ' A' ' 5' ' ' ASN . 56.8 t30 -139.33 45.92 1.94 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 122.059 0.933 . . . . 1.6 108.734 -177.784 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.498 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 0.0 OUTLIER -103.9 94.59 5.5 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-N 114.758 -1.11 . . . . 1.62 110.771 -178.597 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.456 ' HB3' ' HD2' ' A' ' 14' ' ' ARG . 1.0 OUTLIER -69.69 97.66 1.09 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.047 -0.524 . . . . 1.78 111.105 178.33 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -57.73 -40.08 78.8 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.418 -0.81 . . . . 2.4 110.835 179.38 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.434 HD12 ' ND2' ' A' ' 17' ' ' ASN . 0.1 OUTLIER -67.41 -47.13 71.15 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 116.12 -0.491 . . . . 0.98 110.8 -175.132 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.456 ' HD2' ' HB3' ' A' ' 11' ' ' ASP . 0.0 OUTLIER -56.12 -43.36 78.09 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.608 -0.269 . . . . 4.04 110.96 177.351 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 40.9 t -66.45 -40.65 89.54 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.921 -0.4 . . . . 1.47 109.921 178.175 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 65.0 t60 -55.82 -51.83 66.12 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 116.05 -0.523 . . . . 0.83 110.585 173.59 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.434 ' ND2' HD12 ' A' ' 13' ' ' LEU . 93.9 m-20 -62.08 -38.53 89.19 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.786 -0.643 . . . . 0.58 111.14 -178.218 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 57.5 t60 -64.15 -50.46 68.1 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.288 -0.415 . . . . 1.06 111.082 177.381 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 69.2 m -73.32 -27.41 61.51 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 112.797 0.665 . . . . 0.56 112.797 -173.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.4 ' HG2' ' HA ' ' A' ' 17' ' ' ASN . 18.1 pttp -76.18 -11.05 59.86 Favored 'General case' 0 N--CA 1.464 0.238 0 C-N-CA 120.065 -0.654 . . . . 2.1 110.141 177.7 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 53.4 m -84.96 -15.48 44.21 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.994 -0.548 . . . . 1.53 109.835 174.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 48.9 mt -91.41 127.12 43.96 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.379 0 CA-C-N 115.743 -0.662 . . . . 0.68 109.345 177.028 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 21.6 ttmm -65.01 131.33 46.29 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.344 0.593 . . . . 2.51 111.103 -177.538 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 105.38 -18.2 42.17 Favored Glycine 0 N--CA 1.448 -0.557 0 CA-C-N 115.142 -0.936 . . . . 0.79 112.317 -178.546 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -117.54 160.24 21.56 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.629 0.252 . . . . 0.77 110.416 179.713 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.28 4.15 8.48 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.015 0.436 . . . . 2.51 110.929 178.634 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 164.35 -174.7 40.43 Favored Glycine 0 N--CA 1.445 -0.721 0 C-N-CA 120.638 -0.791 . . . . 0.56 111.616 -179.613 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -165.56 172.46 41.08 Favored Glycine 0 N--CA 1.445 -0.739 0 C-N-CA 120.635 -0.793 . . . . 0.63 112.759 -175.5 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 11.6 p90 -147.65 151.68 36.59 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.14 -0.689 . . . . 1.08 109.14 -177.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 4.8 t -80.91 123.26 28.15 Favored 'General case' 0 C--N 1.32 -0.708 0 C-N-CA 120.294 -0.562 . . . . 1.1 109.802 179.724 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -133.66 -161.37 1.14 Allowed 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.605 -0.725 . . . . 1.49 110.191 -176.373 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.5 mptp? 55.2 59.12 4.16 Favored 'General case' 0 N--CA 1.465 0.292 0 O-C-N 123.424 0.453 . . . . 2.35 110.405 -179.206 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 90.01 -15.05 60.38 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.877 -0.678 . . . . 1.17 111.777 -177.031 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 95.75 38.77 4.57 Favored Glycine 0 N--CA 1.445 -0.724 0 C-N-CA 121.139 -0.553 . . . . 0.87 111.794 -178.603 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.426 ' CE2' ' HD3' ' A' ' 7' ' ' PRO . 93.3 m-85 -137.2 -11.26 1.68 Allowed 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 111.871 0.323 . . . . 0.98 111.871 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 59.9 t -111.5 115.47 49.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 C-N-CA 121.174 -0.21 . . . . 0.73 111.169 -177.145 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 37.6 t -64.89 106.5 1.24 Allowed 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.629 -0.508 . . . . 1.48 109.629 174.298 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.592 ' HD3' ' O ' ' A' ' 39' ' ' CYS . 14.1 tmtt? -113.42 131.95 55.82 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.37 0.605 . . . . 1.56 110.4 -175.187 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.592 ' O ' ' HD3' ' A' ' 38' ' ' LYS . 27.4 m -88.66 152.07 22.05 Favored 'General case' 0 C--N 1.309 -1.181 0 CA-C-N 115.137 -0.938 . . . . 0.59 110.038 -175.682 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 44.9 m-85 . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.483 -0.77 . . . . 1.72 111.859 -176.132 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.902 0 N-CA-C 112.373 -0.291 . . . . 2.06 112.373 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -76.89 -6.68 53.44 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 120.89 0.376 . . . . 1.06 111.827 -177.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -162.92 -56.76 0.02 OUTLIER Glycine 0 N--CA 1.446 -0.662 0 N-CA-C 111.11 -0.796 . . . . 0.93 111.11 -179.679 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 36.7 m -70.17 124.18 23.48 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.325 -0.62 . . . . 1.42 109.325 173.587 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.454 HD22 ' N ' ' A' ' 5' ' ' ASN . 0.9 OUTLIER -102.64 2.37 35.87 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.976 0.417 . . . . 1.57 109.992 -179.588 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 128.76 -179.73 16.45 Favored Glycine 0 N--CA 1.446 -0.698 0 N-CA-C 111.209 -0.757 . . . . 0.77 111.209 -177.176 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 14.8 Cg_endo -56.5 -26.54 64.17 Favored 'Trans proline' 0 N--CA 1.475 0.386 0 C-N-CA 123.357 2.705 . . . . 1.07 113.022 -177.225 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 3.7 p-90 -74.87 -17.31 60.61 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.818 -0.628 . . . . 4.12 111.379 179.211 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -161.81 79.03 0.55 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.214 0.531 . . . . 1.6 109.942 -176.501 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.59 ' HB3' ' SG ' ' A' ' 30' ' ' CYS . 34.1 mt-10 -96.68 72.2 2.64 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.077 -0.51 . . . . 1.62 110.243 -176.457 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -71.98 102.42 2.94 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.978 -0.555 . . . . 1.78 110.783 -179.484 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -69.18 -31.21 69.68 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.305 -0.862 . . . . 2.4 111.03 -176.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.423 HD12 HD21 ' A' ' 17' ' ' ASN . 0.2 OUTLIER -63.28 -58.47 7.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.264 -0.426 . . . . 0.98 111.654 -172.07 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.36 -41.92 73.2 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.554 0.576 . . . . 4.04 112.554 -178.302 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.414 ' HB3' ' HB3' ' A' ' 37' ' ' CYS . 89.8 m -65.29 -43.03 92.44 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-O 121.109 0.48 . . . . 1.47 110.213 175.127 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.515 ' O ' ' HG3' ' A' ' 20' ' ' LYS . 57.9 t60 -57.77 -39.7 78.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.365 -0.834 . . . . 0.83 110.394 177.458 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.423 HD21 HD12 ' A' ' 13' ' ' LEU . 95.1 m-20 -66.6 -51.06 60.54 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.171 -0.468 . . . . 0.58 111.477 178.565 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 85.8 t60 -56.94 -42.8 80.7 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.06 -0.518 . . . . 1.06 111.154 -176.539 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.426 ' O ' ' HB2' ' A' ' 25' ' ' TYR . 75.8 m -69.94 -30.26 67.59 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.185 -0.461 . . . . 0.56 111.427 -178.133 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.515 ' HG3' ' O ' ' A' ' 16' ' ' HIS . 48.3 mtmt -73.41 -31.17 63.72 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.015 0.436 . . . . 2.1 110.27 175.76 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 37.4 t -63.94 -25.51 68.18 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.754 -0.657 . . . . 1.53 110.097 176.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 62.1 mt -93.03 127.75 44.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.988 -0.551 . . . . 0.68 109.874 178.103 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 24.2 ttpp -61.61 132.41 53.22 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.219 -0.446 . . . . 2.51 110.308 178.652 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 112.21 -39.91 2.71 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 121.036 -0.602 . . . . 0.79 112.809 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.426 ' HB2' ' O ' ' A' ' 19' ' ' CYS . 47.0 m-85 -100.93 158.32 16.08 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.757 0.313 . . . . 0.77 110.683 -176.259 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.72 6.06 5.11 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.395 -0.366 . . . . 2.51 111.463 -178.626 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 175.48 173.51 41.28 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.654 -0.784 . . . . 0.56 112.037 177.19 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.406 ' HA3' ' SG ' ' A' ' 19' ' ' CYS . . . -158.03 126.65 1.75 Allowed Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.877 -0.678 . . . . 0.63 112.037 -178.699 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 48.1 p90 -105.33 168.36 9.13 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 110.176 -0.305 . . . . 1.08 110.176 -178.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.59 ' SG ' ' HB3' ' A' ' 10' ' ' GLU . 1.2 m -83.72 98.6 9.76 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.145 0.497 . . . . 1.1 110.532 -177.061 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -103.53 -177.13 3.28 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.869 -0.605 . . . . 1.49 110.332 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.2 mptp? 56.09 45.24 23.91 Favored 'General case' 0 C--N 1.332 -0.184 0 O-C-N 123.417 0.448 . . . . 2.35 110.836 178.496 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 97.02 -4.39 62.84 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.8 -0.714 . . . . 1.17 112.022 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.83 19.21 22.8 Favored Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 120.772 -0.728 . . . . 0.87 111.999 -179.134 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -108.91 -39.75 5.23 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.843 0.354 . . . . 0.98 111.47 -176.546 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 93.2 t -92.86 124.7 45.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.141 -0.481 . . . . 0.73 111.22 -173.055 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.414 ' HB3' ' HB3' ' A' ' 15' ' ' CYS . 35.9 m -70.59 91.42 0.79 Allowed 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 116.028 -0.533 . . . . 1.48 110.179 176.02 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.404 ' O ' ' HA2' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -85.02 119.32 25.29 Favored 'General case' 0 CA--C 1.509 -0.634 0 CA-C-O 121.66 0.743 . . . . 1.56 109.523 179.886 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 69.0 m -84.22 150.03 25.74 Favored 'General case' 0 C--N 1.3 -1.557 0 CA-C-N 114.178 -1.374 . . . . 0.59 111.222 -172.644 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 18.6 p90 . . . . . 0 C--O 1.248 1.0 0 CA-C-N 115.637 -0.71 . . . . 1.72 109.794 178.657 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.843 0 N-CA-C 112.061 -0.415 . . . . 2.06 112.061 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -77.16 -9.74 58.96 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.32 0.581 . . . . 1.06 110.859 -178.019 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -172.81 -53.94 0.05 OUTLIER Glycine 0 N--CA 1.442 -0.963 0 N-CA-C 110.714 -0.954 . . . . 0.93 110.714 179.022 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 31.7 m -79.6 132.85 36.37 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.628 -0.508 . . . . 1.42 109.628 174.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 44.7 m-80 -135.34 45.09 2.51 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.096 0.474 . . . . 1.57 110.182 -178.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 122.84 164.78 12.21 Favored Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.776 -0.726 . . . . 0.77 112.084 177.768 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_endo -64.44 -22.53 65.6 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.969 2.446 . . . . 1.07 112.72 -176.242 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 10.7 p-90 -86.9 -9.36 55.89 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.798 -0.637 . . . . 4.12 110.954 -179.421 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 28.7 t30 -156.11 81.85 1.0 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.117 -0.492 . . . . 1.6 110.043 -176.087 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.684 ' HB3' ' SG ' ' A' ' 30' ' ' CYS . 39.3 mt-10 -103.56 -78.93 0.55 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.2 -0.455 . . . . 1.62 110.645 -179.771 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.544 ' OD2' ' HG2' ' A' ' 14' ' ' ARG . 16.6 t70 65.46 98.49 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.616 0.722 . . . . 1.78 110.631 -173.746 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -63.1 -25.84 68.55 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.009 -0.996 . . . . 2.4 111.255 -177.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.522 HD12 ' ND2' ' A' ' 17' ' ' ASN . 0.0 OUTLIER -63.6 -45.9 88.25 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 116.382 -0.372 . . . . 0.98 110.667 -174.455 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.544 ' HG2' ' OD2' ' A' ' 11' ' ' ASP . 11.7 mmm180 -53.35 -60.03 3.82 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 121.173 0.511 . . . . 4.04 111.317 179.772 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 88.9 m -66.37 -30.54 70.94 Favored 'General case' 0 N--CA 1.442 -0.834 0 CA-C-N 115.92 -0.582 . . . . 1.47 111.581 -177.376 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.447 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 59.0 t60 -61.43 -52.34 64.99 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 110.016 -0.364 . . . . 0.83 110.016 171.159 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.522 ' ND2' HD12 ' A' ' 13' ' ' LEU . 50.1 m-20 -57.19 -35.36 69.51 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-N 115.891 -0.595 . . . . 0.58 110.893 179.522 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 7.2 t-160 -60.21 -68.76 0.26 Allowed 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.742 -0.663 . . . . 1.06 110.688 173.378 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.45 ' SG ' ' HA3' ' A' ' 28' ' ' GLY . 61.8 m -61.24 -35.82 78.29 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.198 -0.91 . . . . 0.56 113.28 -171.726 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.447 ' HG2' ' O ' ' A' ' 16' ' ' HIS . 21.8 ptmt -65.64 -20.25 66.23 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 120.848 0.356 . . . . 2.1 111.18 -177.785 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 17.3 m -82.28 -11.62 58.53 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.15 0.5 . . . . 1.53 110.454 -179.675 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 60.8 mt -92.98 127.34 45.14 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.528 0 N-CA-C 109.483 -0.562 . . . . 0.68 109.483 178.522 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 32.3 ttpt -57.85 127.34 31.59 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.129 -0.487 . . . . 2.51 110.184 179.046 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 106.55 -32.68 7.06 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.933 -0.651 . . . . 0.79 112.705 -178.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 47.1 m-85 -105.86 155.18 19.57 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.128 0.49 . . . . 0.77 110.991 -176.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -127.61 -20.6 3.93 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.826 -0.624 . . . . 2.51 111.645 -178.439 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.429 ' HA3' ' CZ ' ' A' ' 40' ' ' TYR . . . -150.37 170.35 30.31 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 119.839 -1.172 . . . . 0.56 113.041 -178.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.529 ' HA2' ' O ' ' A' ' 38' ' ' LYS . . . -156.18 135.06 4.35 Favored Glycine 0 N--CA 1.448 -0.548 0 N-CA-C 111.154 -0.778 . . . . 0.63 111.154 178.76 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.587 ' O ' ' HA ' ' A' ' 37' ' ' CYS . 33.9 p90 -130.61 144.72 51.61 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 117.309 0.554 . . . . 1.08 111.763 -174.209 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.684 ' SG ' ' HB3' ' A' ' 10' ' ' GLU . 0.0 OUTLIER -74.17 102.7 4.35 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 115.552 -0.749 . . . . 1.1 109.922 178.369 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -99.7 -79.59 0.49 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.128 -0.487 . . . . 1.49 111.488 -174.678 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -61.7 98.76 0.1 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.999 -0.546 . . . . 2.35 111.605 -174.601 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 71.66 6.88 63.83 Favored Glycine 0 N--CA 1.451 -0.313 0 CA-C-N 115.772 -0.649 . . . . 1.17 112.908 177.183 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 76.78 8.52 86.46 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.665 -0.778 . . . . 0.87 111.777 -174.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -101.45 -46.96 4.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.075 0.464 . . . . 0.98 111.103 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 48.6 t -87.65 109.82 19.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.124 -0.489 . . . . 0.73 111.04 -174.69 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.587 ' HA ' ' O ' ' A' ' 29' ' ' TYR . 94.9 m -87.83 117.55 26.75 Favored 'General case' 0 N--CA 1.442 -0.86 0 CA-C-N 115.96 -0.564 . . . . 1.48 110.725 177.47 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.529 ' O ' ' HA2' ' A' ' 28' ' ' GLY . 24.9 ttpp -97.84 139.12 34.16 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.123 -0.49 . . . . 1.56 110.345 179.317 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 65.7 m -96.59 140.45 31.18 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.607 -0.724 . . . . 0.59 110.452 -175.467 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.429 ' CZ ' ' HA3' ' A' ' 27' ' ' GLY . 46.8 p90 . . . . . 0 C--O 1.251 1.172 0 CA-C-O 118.273 -0.87 . . . . 1.72 109.504 176.037 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.845 0 N-CA-C 112.166 -0.373 . . . . 2.06 112.166 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 -96.6 65.37 2.23 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.202 0.525 . . . . 1.06 110.392 -176.356 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 88.19 7.51 73.22 Favored Glycine 0 N--CA 1.447 -0.622 0 N-CA-C 111.18 -0.768 . . . . 0.93 111.18 -175.371 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.465 ' SG ' ' HB2' ' A' ' 37' ' ' CYS . 8.7 m -133.05 88.13 2.47 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.825 -0.435 . . . . 1.42 109.825 -178.039 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 -124.82 22.11 8.19 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.245 -0.434 . . . . 1.57 110.469 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.402 ' HA2' ' CE2' ' A' ' 35' ' ' PHE . . . 126.14 168.99 12.74 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.503 -0.856 . . . . 0.77 112.861 178.234 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_exo -43.98 -38.97 10.75 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 124.046 3.164 . . . . 1.07 113.407 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -89.07 3.1 52.9 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.555 -0.748 . . . . 4.12 111.91 -174.332 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -131.18 -29.73 1.8 Allowed 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 111.763 0.282 . . . . 1.6 111.763 -177.339 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -49.14 126.7 13.17 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-O 121.243 0.544 . . . . 1.62 111.893 -177.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.445 ' OD2' ' HG2' ' A' ' 14' ' ' ARG . 25.0 t70 -138.34 124.53 20.33 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.348 -0.842 . . . . 1.78 109.792 178.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -66.25 -31.33 72.08 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.496 -0.774 . . . . 2.4 111.089 -175.655 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -76.39 -44.26 36.99 Favored 'General case' 0 N--CA 1.445 -0.706 0 CA-C-N 116.121 -0.491 . . . . 0.98 110.701 -177.071 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.445 ' HG2' ' OD2' ' A' ' 11' ' ' ASP . 24.9 mmm180 -54.96 -55.51 29.91 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 116.63 -0.259 . . . . 4.04 111.57 -179.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 46.6 t -60.14 -40.28 89.27 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.132 -0.485 . . . . 1.47 110.245 178.315 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.5 t60 -56.49 -49.2 75.36 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.208 -0.451 . . . . 0.83 110.538 174.584 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -58.3 -46.43 86.13 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.852 -0.613 . . . . 0.58 111.197 -179.566 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -62.2 -50.52 71.46 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.242 -0.435 . . . . 1.06 110.984 -179.696 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 93.3 m -71.04 -36.19 72.26 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 112.591 0.589 . . . . 0.56 112.591 -173.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.8 pttp -71.01 -15.28 62.55 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.876 0.369 . . . . 2.1 110.741 -178.493 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 23.5 m -86.81 -5.73 59.02 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.025 -0.534 . . . . 1.53 110.478 178.255 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 55.4 mt -101.24 124.56 55.01 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.481 0 CA-C-N 115.866 -0.606 . . . . 0.68 109.789 178.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 67.3 tttt -59.51 132.83 55.17 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 116.39 -0.368 . . . . 2.51 110.021 177.064 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 102.82 -16.93 54.01 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.726 -0.75 . . . . 0.79 111.978 -176.614 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -125.11 151.78 45.26 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.876 0.37 . . . . 0.77 110.376 179.694 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.433 ' HG2' ' CE2' ' A' ' 40' ' ' TYR . 0.0 OUTLIER -120.06 -17.32 8.42 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.166 -0.47 . . . . 2.51 111.259 -179.705 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -161.88 178.24 37.81 Favored Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 120.37 -0.919 . . . . 0.56 112.766 -179.27 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -161.64 158.38 30.21 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 121.032 -0.604 . . . . 0.63 112.339 -178.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 14.3 p90 -150.32 151.97 33.74 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.574 0.226 . . . . 1.08 110.559 -179.021 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 13.8 m -82.85 101.2 10.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.027 0.441 . . . . 1.1 110.453 -178.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -96.38 -175.31 3.3 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.843 -0.617 . . . . 1.49 110.037 178.513 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp 57.46 50.84 10.58 Favored 'General case' 0 C--N 1.331 -0.2 0 O-C-N 123.504 0.502 . . . . 2.35 111.097 178.058 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 84.48 13.06 74.19 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 121.005 -0.617 . . . . 1.17 112.3 178.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 80.55 29.84 42.47 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.825 -0.702 . . . . 0.87 112.318 -178.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.402 ' CE2' ' HA2' ' A' ' 6' ' ' GLY . 97.0 m-85 -115.34 -33.65 5.22 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 111.818 0.303 . . . . 0.98 111.818 -177.582 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 97.3 t -101.27 111.24 30.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 120.93 0.395 . . . . 0.73 111.205 -175.378 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.465 ' HB2' ' SG ' ' A' ' 4' ' ' CYS . 39.0 t -72.51 99.69 2.56 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.841 -0.618 . . . . 1.48 109.573 175.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 21.1 ttpp -102.84 145.41 29.83 Favored 'General case' 0 CA--C 1.509 -0.62 0 N-CA-C 109.896 -0.409 . . . . 1.56 109.896 179.37 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 34.6 m -105.77 167.77 9.55 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 115.599 -0.728 . . . . 0.59 110.511 -175.561 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.433 ' CE2' ' HG2' ' A' ' 26' ' ' LYS . 38.7 p90 . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.58 -0.724 . . . . 1.72 109.244 172.469 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.758 0 N-CA-C 112.13 -0.388 . . . . 2.06 112.13 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -79.4 -3.11 44.87 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.136 0.493 . . . . 1.06 111.249 -177.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -162.43 -43.49 0.02 OUTLIER Glycine 0 N--CA 1.446 -0.641 0 N-CA-C 110.639 -0.984 . . . . 0.93 110.639 179.333 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 22.0 m -77.68 129.98 36.24 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 110.198 -0.297 . . . . 1.42 110.198 175.035 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 58.2 m-80 -141.02 54.77 1.56 Allowed 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.325 0.583 . . . . 1.57 109.925 178.224 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 109.83 160.49 18.45 Favored Glycine 0 N--CA 1.445 -0.742 0 C-N-CA 120.868 -0.682 . . . . 0.77 111.823 179.075 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_exo -50.9 -38.08 57.25 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 123.245 2.63 . . . . 1.07 112.184 -178.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -63.63 -26.54 68.72 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 114.761 -1.108 . . . . 4.12 111.362 -177.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 40.0 t30 -142.44 80.69 1.71 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.207 0.527 . . . . 1.6 110.281 -173.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.495 ' HB3' ' SG ' ' A' ' 30' ' ' CYS . 44.8 mt-10 -114.32 94.55 4.85 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.101 -0.5 . . . . 1.62 110.832 -178.262 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.662 ' OD2' ' HD2' ' A' ' 14' ' ' ARG . 12.7 t70 -105.25 95.72 6.03 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.753 -0.462 . . . . 1.78 109.753 174.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -68.66 -23.72 64.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.9 -0.591 . . . . 2.4 110.591 -178.161 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.466 HD12 HD21 ' A' ' 17' ' ' ASN . 0.0 OUTLIER -63.48 -50.85 68.03 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 116.325 -0.398 . . . . 0.98 110.654 -173.56 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.662 ' HD2' ' OD2' ' A' ' 11' ' ' ASP . 0.0 OUTLIER -51.59 -51.2 57.47 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.711 0.291 . . . . 4.04 111.557 176.397 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.449 ' HB3' ' HB3' ' A' ' 37' ' ' CYS . 75.9 m -68.17 -34.91 77.19 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 116.489 -0.323 . . . . 1.47 111.176 -178.087 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 45.8 t60 -59.74 -51.46 69.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.83 109.938 172.006 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.466 HD21 HD12 ' A' ' 13' ' ' LEU . 93.8 m-20 -60.13 -46.43 89.66 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.59 -0.732 . . . . 0.58 111.008 -179.189 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 77.8 t60 -59.75 -49.62 77.01 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.783 -0.644 . . . . 1.06 111.21 -179.535 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.482 ' O ' ' HB2' ' A' ' 25' ' ' TYR . 40.3 m -77.44 -26.42 51.52 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 112.67 0.619 . . . . 0.56 112.67 -174.532 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.4 pttp -75.76 -10.67 59.62 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.256 -0.577 . . . . 2.1 110.07 177.463 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 20.6 m -93.67 -9.69 37.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.946 -0.57 . . . . 1.53 110.466 176.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 73.8 mt -102.4 125.93 56.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.032 -0.531 . . . . 0.68 109.901 -179.506 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 33.4 ttpt -58.31 126.51 27.83 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.436 -0.347 . . . . 2.51 110.168 178.35 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 113.49 -23.99 12.88 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.947 -0.644 . . . . 0.79 112.419 -177.444 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.482 ' HB2' ' O ' ' A' ' 19' ' ' CYS . 39.7 m-85 -122.7 158.52 29.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.91 0.355 . . . . 0.77 110.244 178.827 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -133.91 1.84 3.33 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 121.014 -0.274 . . . . 2.51 111.571 173.671 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -176.77 172.73 45.69 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.287 -0.958 . . . . 0.56 112.593 178.095 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -160.31 158.81 30.22 Favored Glycine 0 N--CA 1.451 -0.337 0 N-CA-C 111.914 -0.475 . . . . 0.63 111.914 179.67 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.48 ' O ' ' HA ' ' A' ' 37' ' ' CYS . 45.3 p90 -148.42 155.33 41.08 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 110.19 -0.3 . . . . 1.08 110.19 -179.005 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.495 ' SG ' ' HB3' ' A' ' 10' ' ' GLU . 0.0 OUTLIER -73.03 100.75 3.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.057 0.456 . . . . 1.1 110.984 -177.92 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -111.71 -174.03 2.38 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.099 -0.5 . . . . 1.49 110.029 179.564 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt 52.54 54.97 9.75 Favored 'General case' 0 C--N 1.33 -0.265 0 O-C-N 123.573 0.546 . . . . 2.35 111.244 178.059 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 91.72 -2.37 76.68 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.778 -0.725 . . . . 1.17 112.482 179.282 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 93.91 19.25 34.59 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.82 -0.705 . . . . 0.87 111.967 -179.087 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -111.43 -56.64 2.35 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.838 0.351 . . . . 0.98 111.075 -178.083 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 63.9 t -79.57 114.95 21.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.101 -0.5 . . . . 0.73 110.559 -175.237 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.48 ' HA ' ' O ' ' A' ' 29' ' ' TYR . 93.2 m -75.93 94.49 3.38 Favored 'General case' 0 N--CA 1.439 -1.006 0 CA-C-O 120.976 0.417 . . . . 1.48 110.284 178.208 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 6.5 tmtt? -75.87 129.23 36.65 Favored 'General case' 0 CA--C 1.508 -0.652 0 N-CA-C 108.8 -0.815 . . . . 1.56 108.8 179.346 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 74.5 m -113.97 143.73 44.25 Favored 'General case' 0 C--N 1.304 -1.377 0 CA-C-N 115.139 -0.937 . . . . 0.59 111.484 -173.06 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 23.8 p90 . . . . . 0 C--O 1.25 1.105 0 CA-C-N 115.25 -0.886 . . . . 1.72 110.304 -176.511 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.472 ' HA3' ' O ' ' A' ' 4' ' ' CYS . . . . . . . . 0 N--CA 1.482 1.751 0 N-CA-C 111.876 -0.49 . . . . 2.06 111.876 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -110.83 71.1 0.73 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.052 0.454 . . . . 1.06 110.119 -179.334 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.426 ' HA3' ' CB ' ' A' ' 14' ' ' ARG . . . 100.48 -51.32 1.01 Allowed Glycine 0 N--CA 1.447 -0.631 0 N-CA-C 110.398 -1.081 . . . . 0.93 110.398 -174.562 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.753 ' SG ' ' HA ' ' A' ' 10' ' ' GLU . 8.6 t -87.1 129.65 34.83 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.235 -0.654 . . . . 1.42 109.235 171.481 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 51.1 m-80 -134.97 33.33 3.16 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.445 -0.343 . . . . 1.57 111.176 -175.662 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.444 ' HA2' ' O ' ' A' ' 34' ' ' GLY . . . 117.99 171.76 15.49 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.654 -0.784 . . . . 0.77 112.47 178.277 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 8.3 Cg_endo -49.71 -30.03 21.43 Favored 'Trans proline' 0 N--CA 1.474 0.364 0 C-N-CA 124.318 3.346 . . . . 1.07 113.854 -176.158 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 12.5 p-90 -72.61 -20.04 61.35 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.315 -0.402 . . . . 4.12 111.217 -178.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 51.7 t30 -158.48 64.38 0.43 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.166 0.508 . . . . 1.6 110.11 -172.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.753 ' HA ' ' SG ' ' A' ' 4' ' ' CYS . 42.7 mt-10 -89.55 77.43 7.23 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.208 -0.451 . . . . 1.62 110.248 179.074 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.48 ' OD2' ' HG2' ' A' ' 14' ' ' ARG . 11.3 t70 -74.45 97.56 3.11 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.385 -0.598 . . . . 1.78 109.385 175.615 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -68.52 -31.48 70.75 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.674 -0.694 . . . . 2.4 110.409 -175.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -61.13 -54.32 46.0 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.693 -0.685 . . . . 0.98 111.065 -176.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.48 ' HG2' ' OD2' ' A' ' 11' ' ' ASP . 15.6 mmm-85 -54.95 -56.02 24.26 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.104 -0.498 . . . . 4.04 111.523 -179.125 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.687 ' SG ' ' HB3' ' A' ' 4' ' ' CYS . 83.8 m -62.06 -33.45 74.42 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.443 -0.344 . . . . 1.47 111.554 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.439 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 33.0 t60 -59.11 -50.45 74.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.267 -0.424 . . . . 0.83 109.978 171.822 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 -66.92 -29.92 69.92 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.661 -0.699 . . . . 0.58 111.274 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 67.6 t60 -61.64 -42.71 99.27 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.014 0.435 . . . . 1.06 110.204 175.378 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 94.5 m -76.98 -13.63 59.94 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.139 -0.482 . . . . 0.56 110.839 178.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.439 ' HG2' ' O ' ' A' ' 16' ' ' HIS . 32.6 mmmt -76.68 -25.07 53.26 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.053 0.454 . . . . 2.1 109.996 173.066 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 15.6 m -74.39 -19.74 60.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.889 -0.596 . . . . 1.53 109.966 175.546 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 26.5 mt -101.22 134.45 41.37 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.469 0 CA-C-N 115.751 -0.658 . . . . 0.68 109.737 179.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 35.6 ttmt -76.83 138.73 40.0 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 120.998 0.428 . . . . 2.51 111.131 -178.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 104.57 -19.89 40.87 Favored Glycine 0 N--CA 1.45 -0.38 0 CA-C-N 115.525 -0.761 . . . . 0.79 113.253 177.44 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 50.1 m-85 -113.83 143.62 44.36 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.909 0.355 . . . . 0.77 110.985 -175.709 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.46 ' HB2' ' CE2' ' A' ' 40' ' ' TYR . 50.4 mmtt -92.53 -27.74 17.21 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.106 -0.497 . . . . 2.51 110.378 -179.64 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -173.09 -170.96 37.33 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.695 -0.765 . . . . 0.56 112.061 -177.706 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -146.6 157.28 27.35 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 121.078 -0.582 . . . . 0.63 112.033 -176.634 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 3.2 p90 -136.88 144.95 43.81 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.722 0.296 . . . . 1.08 110.89 -176.289 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 7.8 m -73.73 94.7 2.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.928 -0.578 . . . . 1.1 110.55 -178.298 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -109.25 -171.08 1.77 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.642 -0.708 . . . . 1.49 110.242 -178.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 32.4 mmmt 51.68 64.46 1.84 Allowed 'General case' 0 C--O 1.234 0.253 0 O-C-N 123.611 0.57 . . . . 2.35 110.781 -179.54 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 86.72 -6.85 81.83 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.904 -0.665 . . . . 1.17 111.801 -178.709 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.444 ' O ' ' HA2' ' A' ' 6' ' ' GLY . . . 93.39 11.53 58.24 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 121.175 -0.536 . . . . 0.87 112.314 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -109.91 -24.1 11.0 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.011 0.374 . . . . 0.98 112.011 -176.675 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 54.2 t -100.66 106.6 19.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 121.091 0.472 . . . . 0.73 110.826 -176.026 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.724 ' SG ' ' HB3' ' A' ' 4' ' ' CYS . 68.8 m -72.97 95.07 1.94 Allowed 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 115.651 -0.704 . . . . 1.48 110.893 178.379 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 24.3 ttpp -93.13 146.42 23.67 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.968 -0.56 . . . . 1.56 110.233 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 75.9 m -81.5 166.5 20.25 Favored 'General case' 0 C--N 1.311 -1.09 0 N-CA-C 108.54 -0.911 . . . . 0.59 108.54 176.085 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.46 ' CE2' ' HB2' ' A' ' 26' ' ' LYS . 10.3 m-30 . . . . . 0 C--O 1.247 0.939 0 CA-C-O 118.12 -0.943 . . . . 1.72 112.001 -177.57 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.852 0 N-CA-C 112.155 -0.378 . . . . 2.06 112.155 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 50.2 m-85 -116.05 53.32 0.87 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.959 0.409 . . . . 1.06 110.151 -179.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 83.66 -47.21 3.79 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 121.082 -0.58 . . . . 0.93 111.761 -179.245 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 53.7 t -71.4 94.82 1.28 Allowed 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.978 0.418 . . . . 1.42 110.097 178.071 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -108.29 4.45 24.61 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.317 -0.401 . . . . 1.57 111.295 -176.237 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 133.2 175.08 13.8 Favored Glycine 0 N--CA 1.445 -0.714 0 C-N-CA 120.761 -0.733 . . . . 0.77 111.559 -178.213 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.443 ' HA ' ' CG ' ' A' ' 10' ' ' GLU . 25.8 Cg_endo -62.43 -23.82 75.23 Favored 'Trans proline' 0 N--CA 1.471 0.148 0 C-N-CA 122.993 2.462 . . . . 1.07 112.328 -179.072 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 6.0 p-90 -74.04 -20.43 60.3 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.67 -0.696 . . . . 4.12 110.658 177.511 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -149.47 67.86 1.02 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.798 -0.637 . . . . 1.6 109.42 -174.688 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.443 ' CG ' ' HA ' ' A' ' 7' ' ' PRO . 43.3 mt-10 -88.52 67.0 8.43 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.519 -0.764 . . . . 1.62 110.139 -178.421 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.517 ' OD2' ' HB2' ' A' ' 14' ' ' ARG . 26.4 t70 -63.84 115.27 4.67 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.326 0.584 . . . . 1.78 110.619 -178.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -74.18 -42.73 59.39 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.149 -0.932 . . . . 2.4 111.51 -175.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.492 HD12 HD21 ' A' ' 17' ' ' ASN . 0.1 OUTLIER -63.62 -54.03 42.21 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.223 -0.444 . . . . 0.98 111.524 -169.778 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.517 ' HB2' ' OD2' ' A' ' 11' ' ' ASP . 0.9 OUTLIER -60.65 -42.32 96.75 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 111.79 0.293 . . . . 4.04 111.79 -178.003 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 37.2 t -65.65 -39.79 91.77 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.38 0.609 . . . . 1.47 109.564 177.018 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.468 ' O ' ' HG3' ' A' ' 20' ' ' LYS . 84.5 t60 -59.88 -44.15 94.36 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.536 -0.756 . . . . 0.83 110.377 175.47 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.492 HD21 HD12 ' A' ' 13' ' ' LEU . 92.8 m-20 -66.05 -45.31 81.85 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.241 -0.436 . . . . 0.58 110.992 178.743 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 74.4 t60 -54.47 -37.76 65.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.787 -0.642 . . . . 1.06 111.031 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 85.6 m -85.04 -15.95 42.37 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.065 -0.516 . . . . 0.56 111.877 -178.135 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.468 ' HG3' ' O ' ' A' ' 16' ' ' HIS . 54.9 mtpt -73.74 -31.75 63.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.103 0.478 . . . . 2.1 110.11 175.026 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.8 p -81.32 8.19 9.74 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.745 -0.661 . . . . 1.53 111.123 177.446 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 42.7 mt -118.86 111.56 34.12 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.535 0 N-CA-C 108.833 -0.802 . . . . 0.68 108.833 173.768 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 23.6 ttmm -68.0 133.59 49.3 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-O 121.485 0.659 . . . . 2.51 110.95 -175.069 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 109.59 -11.44 32.91 Favored Glycine 0 N--CA 1.447 -0.621 0 CA-C-N 114.962 -1.017 . . . . 0.79 111.767 -175.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 50.1 m-85 -123.84 169.55 11.45 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 110.282 -0.266 . . . . 0.77 110.282 178.334 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.504 ' N ' ' HD3' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -143.04 31.19 1.4 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.252 0.548 . . . . 2.51 111.121 -179.208 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 136.66 177.5 15.06 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.615 -0.802 . . . . 0.56 111.589 178.518 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -158.18 175.41 35.37 Favored Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 120.313 -0.946 . . . . 0.63 113.142 -177.04 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 10.7 p90 -151.0 167.69 26.87 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.799 -0.445 . . . . 1.08 109.799 179.302 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.505 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 84.2 m -81.72 96.65 7.62 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.055 0.455 . . . . 1.1 110.81 179.811 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -83.58 -177.0 6.57 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.49 -0.777 . . . . 1.49 110.215 178.337 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 48.3 mmtm 58.53 -150.72 0.43 Allowed 'General case' 0 C--O 1.233 0.23 0 N-CA-C 109.431 -0.581 . . . . 2.35 109.431 -176.6 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -52.16 -24.69 16.11 Favored Glycine 0 CA--C 1.522 0.521 0 C-N-CA 121.219 -0.515 . . . . 1.17 112.871 174.3 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 128.62 19.8 1.62 Allowed Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.804 -0.712 . . . . 0.87 112.859 174.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 77.0 m-85 -116.35 11.44 15.0 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 117.075 0.438 . . . . 0.98 111.692 -177.575 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.505 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 63.8 t -117.75 116.1 50.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 C-N-CA 120.953 -0.299 . . . . 0.73 111.21 -176.403 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 48.2 t -75.79 86.11 2.78 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.505 -0.554 . . . . 1.48 109.505 176.559 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.37 128.48 44.22 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.834 -0.621 . . . . 1.56 110.111 -175.541 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 33.7 m -87.71 160.1 18.23 Favored 'General case' 0 C--N 1.307 -1.264 0 CA-C-N 114.654 -1.157 . . . . 0.59 110.592 -174.669 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 . . . . . 0 C--O 1.252 1.188 0 CA-C-O 117.985 -1.007 . . . . 1.72 110.479 179.488 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.927 0 N-CA-C 111.876 -0.49 . . . . 2.06 111.876 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.524 ' O ' ' HB3' ' A' ' 14' ' ' ARG . 33.6 m-85 54.6 52.51 12.12 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 122.958 0.503 . . . . 1.06 111.334 178.708 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 88.1 -37.53 3.26 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 121.009 -0.615 . . . . 0.93 112.179 -178.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.494 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 46.0 t -84.2 106.09 15.56 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.989 0.424 . . . . 1.42 110.71 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 42.7 m-80 -108.51 12.74 25.88 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.951 0.405 . . . . 1.57 110.412 178.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 119.01 174.41 15.9 Favored Glycine 0 N--CA 1.445 -0.743 0 C-N-CA 121.032 -0.604 . . . . 0.77 112.571 177.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 13.6 Cg_endo -56.8 -29.18 80.0 Favored 'Trans proline' 0 C--O 1.233 0.243 0 C-N-CA 123.324 2.683 . . . . 1.07 112.731 -175.064 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 8.0 p-90 -75.83 -22.5 56.21 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.764 -0.653 . . . . 4.12 110.949 -179.152 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -160.74 69.16 0.36 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.319 0.581 . . . . 1.6 110.474 -174.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.446 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 2.1 pt-20 -110.75 161.01 16.21 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.201 -0.454 . . . . 1.62 110.71 177.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -142.27 107.79 5.06 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.772 -0.649 . . . . 1.78 109.589 -179.023 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -66.96 -22.65 65.92 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.124 -0.489 . . . . 2.4 111.531 -175.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.453 HD12 ' ND2' ' A' ' 17' ' ' ASN . 0.1 OUTLIER -76.54 -47.55 22.29 Favored 'General case' 0 N--CA 1.442 -0.831 0 CA-C-N 116.34 -0.391 . . . . 0.98 110.429 -174.845 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.524 ' HB3' ' O ' ' A' ' 2' ' ' PHE . 0.0 OUTLIER -60.71 -40.36 91.99 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.677 -0.238 . . . . 4.04 110.954 178.898 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.494 ' SG ' ' HB2' ' A' ' 4' ' ' CYS . 74.1 m -58.88 -53.19 61.22 Favored 'General case' 0 N--CA 1.447 -0.606 0 N-CA-C 109.857 -0.423 . . . . 1.47 109.857 174.247 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.528 ' O ' ' HG3' ' A' ' 20' ' ' LYS . 27.6 t60 -54.27 -54.45 39.9 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.784 -0.643 . . . . 0.83 111.392 178.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.453 ' ND2' HD12 ' A' ' 13' ' ' LEU . 89.4 m-20 -55.95 -48.54 75.58 Favored 'General case' 0 C--N 1.327 -0.39 0 O-C-N 123.485 0.491 . . . . 0.58 111.184 -176.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 74.0 t60 -58.26 -48.01 81.8 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.371 -0.377 . . . . 1.06 110.866 178.224 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 88.0 m -64.66 -47.42 78.55 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.383 0.512 . . . . 0.56 112.383 -175.125 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.528 ' HG3' ' O ' ' A' ' 16' ' ' HIS . 0.0 OUTLIER -80.34 -1.3 40.5 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.241 -0.584 . . . . 2.1 111.694 -176.821 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 69.3 m -82.53 -14.83 54.26 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.087 -0.708 . . . . 1.53 109.087 170.041 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 37.5 mt -98.69 135.6 32.97 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.648 0 CA-C-N 115.162 -0.926 . . . . 0.68 108.767 177.02 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 34.8 ttmt -72.19 134.79 45.87 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-O 121.265 0.555 . . . . 2.51 110.662 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 101.45 4.18 53.0 Favored Glycine 0 N--CA 1.449 -0.464 0 CA-C-N 115.271 -0.877 . . . . 0.79 112.636 -178.47 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 -134.93 158.99 42.86 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.699 0.285 . . . . 0.77 110.38 178.551 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.53 -28.06 2.56 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.404 -0.362 . . . . 2.51 111.637 177.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -146.69 175.07 26.3 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 119.831 -1.175 . . . . 0.56 113.161 -177.756 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -155.44 144.59 11.16 Favored Glycine 0 N--CA 1.446 -0.684 0 C-N-CA 121.103 -0.57 . . . . 0.63 112.012 178.681 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 6.3 p90 -144.78 159.81 42.26 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 110.365 -0.235 . . . . 1.08 110.365 179.529 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 81.8 m -75.37 106.8 7.09 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.113 0.482 . . . . 1.1 111.167 -178.146 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -121.91 -172.18 2.39 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.426 -0.806 . . . . 1.49 109.66 177.306 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.0 mmmm 52.23 63.5 2.22 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-O 121.151 0.5 . . . . 2.35 110.781 -179.595 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 92.24 -16.54 59.51 Favored Glycine 0 N--CA 1.448 -0.56 0 N-CA-C 111.251 -0.739 . . . . 1.17 111.251 -176.074 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 87.79 27.22 27.25 Favored Glycine 0 N--CA 1.444 -0.799 0 C-N-CA 121.013 -0.613 . . . . 0.87 111.759 -178.537 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 79.4 m-85 -119.88 -18.12 8.31 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.928 0.394 . . . . 0.98 110.76 179.513 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 48.1 t -103.25 124.12 57.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.174 -0.466 . . . . 0.73 110.796 -175.128 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.408 ' SG ' ' HB2' ' A' ' 2' ' ' PHE . 80.1 m -71.08 88.97 0.8 Allowed 'General case' 0 N--CA 1.447 -0.581 0 N-CA-C 109.712 -0.477 . . . . 1.48 109.712 173.608 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.419 ' HD2' ' N ' ' A' ' 39' ' ' CYS . 3.5 tmmm? -83.76 131.81 34.88 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.15 -0.685 . . . . 1.56 109.15 -179.526 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.419 ' N ' ' HD2' ' A' ' 38' ' ' LYS . 56.7 m -100.29 141.56 32.97 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 115.0 -1.0 . . . . 0.59 111.37 -171.368 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 46.2 p90 . . . . . 0 C--O 1.251 1.169 0 CA-C-O 118.131 -0.938 . . . . 1.72 109.533 175.206 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.743 0 N-CA-C 112.226 -0.35 . . . . 2.06 112.226 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 71.6 m-85 -81.58 65.66 6.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.165 0.507 . . . . 1.06 110.12 -179.521 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 99.39 -34.89 5.08 Favored Glycine 0 C--N 1.318 -0.425 0 N-CA-C 111.215 -0.754 . . . . 0.93 111.215 -177.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 23.5 m -80.49 98.2 7.46 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.225 -0.488 . . . . 1.42 110.185 177.543 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 54.7 m-80 -140.36 41.72 1.91 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.79 0.329 . . . . 1.57 111.186 -176.136 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 158.53 165.62 16.12 Favored Glycine 0 N--CA 1.444 -0.829 0 C-N-CA 120.229 -0.986 . . . . 0.77 112.696 179.188 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -77.06 -26.8 7.4 Favored 'Trans proline' 0 N--CA 1.464 -0.234 0 C-N-CA 122.503 2.135 . . . . 1.07 110.293 172.739 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 25.5 p-90 -105.14 -14.4 15.4 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 114.712 -1.131 . . . . 4.12 110.208 175.476 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -108.48 55.95 0.63 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.372 0.606 . . . . 1.6 109.897 -175.149 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -100.01 118.2 35.89 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.51 -0.768 . . . . 1.62 110.708 -179.505 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -117.67 102.71 9.37 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.151 0.5 . . . . 1.78 109.742 172.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 36.4 m-20 -78.83 -13.22 59.93 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.673 -0.694 . . . . 2.4 110.823 -175.494 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.447 HD12 HD21 ' A' ' 17' ' ' ASN . 0.1 OUTLIER -71.48 -53.27 14.48 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 109.968 -0.382 . . . . 0.98 109.968 -177.543 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -58.27 -38.6 77.31 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.209 -0.45 . . . . 4.04 111.106 177.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.3 t -65.83 -44.22 86.24 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.135 0.493 . . . . 1.47 109.812 175.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.496 ' HA ' ' H ' ' A' ' 28' ' ' GLY . 54.5 t60 -54.33 -47.9 72.0 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.744 -0.662 . . . . 0.83 110.595 174.041 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.459 ' HA ' ' HG2' ' A' ' 20' ' ' LYS . 92.9 m-20 -62.49 -41.05 98.55 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.864 -0.607 . . . . 0.58 111.026 -179.045 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 67.7 t60 -61.53 -48.89 78.97 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.137 -0.483 . . . . 1.06 111.014 176.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 74.6 m -76.87 -29.52 55.86 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.569 0.581 . . . . 0.56 112.569 -174.582 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.459 ' HG2' ' HA ' ' A' ' 17' ' ' ASN . 61.2 pttt -73.6 -14.62 61.22 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 121.126 0.489 . . . . 2.1 110.032 178.678 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 47.4 t -73.91 -26.36 60.49 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.815 -0.629 . . . . 1.53 109.656 174.506 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 54.6 mt -90.28 117.61 33.91 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.461 0 CA-C-N 115.453 -0.794 . . . . 0.68 109.454 177.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.2 ttmm -69.12 128.42 36.58 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.278 -0.419 . . . . 2.51 110.573 -175.491 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 118.07 -17.03 11.83 Favored Glycine 0 N--CA 1.449 -0.451 0 CA-C-N 115.736 -0.665 . . . . 0.79 112.279 -177.679 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 87.3 m-85 -113.02 141.57 46.71 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 110.105 -0.332 . . . . 0.77 110.105 179.058 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.656 ' HB2' ' CE2' ' A' ' 40' ' ' TYR . 91.0 mttt -80.33 -22.8 41.11 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.326 0.584 . . . . 2.51 110.601 -178.502 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 166.75 -160.11 33.66 Favored Glycine 0 N--CA 1.439 -1.136 0 CA-C-N 115.418 -0.81 . . . . 0.56 111.601 -179.504 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.496 ' H ' ' HA ' ' A' ' 16' ' ' HIS . . . -153.96 161.01 29.74 Favored Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 120.964 -0.636 . . . . 0.63 111.763 -176.588 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -154.5 157.96 39.15 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 110.083 -0.34 . . . . 1.08 110.083 -177.825 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 34.1 m -76.74 102.47 6.24 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.102 -0.499 . . . . 1.1 110.257 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -115.88 -173.9 2.43 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.572 -0.74 . . . . 1.49 110.245 -179.019 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 41.7 tptt 57.18 48.15 15.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.422 0.629 . . . . 2.35 110.332 175.599 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 103.65 -12.44 53.81 Favored Glycine 0 N--CA 1.447 -0.629 0 CA-C-N 115.687 -0.688 . . . . 1.17 111.627 -177.4 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 93.62 13.33 55.58 Favored Glycine 0 N--CA 1.446 -0.671 0 C-N-CA 120.944 -0.646 . . . . 0.87 111.813 -178.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 53.9 m-85 -112.66 -27.77 8.06 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.997 0.427 . . . . 0.98 110.669 -177.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 57.9 t -91.68 110.03 22.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 116.018 -0.537 . . . . 0.73 110.778 -174.513 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 44.0 t -67.1 102.49 1.02 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.766 -0.652 . . . . 1.48 109.533 174.753 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 34.4 ttpt -106.56 147.89 28.9 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.463 -0.335 . . . . 1.56 110.4 -176.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 33.9 m -110.25 141.29 43.43 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.802 -0.635 . . . . 0.59 109.75 -178.355 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.656 ' CE2' ' HB2' ' A' ' 26' ' ' LYS . 52.2 p90 . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.751 -0.643 . . . . 1.72 110.243 179.496 . . . . . . . . 1 1 . 1 stop_ save_