data_2kq0_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 2kq0 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.689 ' HG2' ' HG2' ' A' ' 42' ' ' PRO . 9.3 Cg_exo . . . . . 0 C--O 1.235 0.346 0 N-CA-C 114.921 1.085 . . . . 15.0 114.921 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 23.4 tptm -58.72 117.53 4.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 114.842 -1.072 . . . . 15.0 110.924 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 114.13 -22.37 14.12 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.848 -0.692 . . . . 15.0 112.185 179.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.588 ' CD1' ' HB2' ' A' ' 14' ' ' PRO . 76.5 m95 -89.91 136.73 32.87 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.884 0.85 . . . . 15.0 111.217 -177.36 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.416 ' O ' HG12 ' A' ' 30' ' ' ILE . 7.8 tt0 -101.14 144.75 29.65 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 114.226 -1.352 . . . . 15.0 108.941 177.384 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 9.9 p -106.87 119.61 56.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.509 0.671 . . . . 15.0 109.6 172.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.473 ' HB2' HD11 ' A' ' 30' ' ' ILE . 26.7 ttm180 -124.02 133.28 53.7 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 109.3 -0.63 . . . . 15.0 109.3 -178.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 4.0 t-80 -92.95 114.42 26.97 Favored 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 120.75 -0.38 . . . . 15.0 110.275 -177.286 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -93.51 163.06 25.85 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 115.909 -0.587 . . . . 15.0 110.692 -178.379 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_exo -64.28 -0.59 2.97 Favored 'Trans proline' 0 C--N 1.35 0.632 0 C-N-CA 123.059 2.506 . . . . 15.0 112.432 177.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -75.03 5.66 5.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.837 -0.619 . . . . 15.0 111.012 175.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 61.12 27.2 66.94 Favored Glycine 0 CA--C 1.505 -0.551 0 N-CA-C 109.375 -1.49 . . . . 15.0 109.375 -171.152 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.692 ' HG2' ' CE3' ' A' ' 39' ' ' TRP . 26.8 tpt180 -136.72 132.83 18.67 Favored Pre-proline 0 N--CA 1.441 -0.878 0 CA-C-N 114.221 -0.99 . . . . 15.0 110.849 -168.445 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 8.3 Cg_endo -89.62 112.35 0.52 Allowed 'Trans proline' 0 N--CA 1.449 -1.13 0 C-N-CA 122.445 2.097 . . . . 15.0 110.736 168.079 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.471 ' HD1' ' H ' ' A' ' 28' ' ' PHE . 0.9 OUTLIER -95.5 139.47 31.73 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.21 -0.663 . . . . 15.0 109.21 179.303 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.635 ' HB2' ' OG1' ' A' ' 38' ' ' THR . 92.2 m-85 -89.75 131.13 35.86 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.003 -0.544 . . . . 15.0 110.169 -174.316 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.632 ' HB ' ' CE1' ' B' ' 117' ' ' TYR . 0.0 OUTLIER -139.62 112.81 6.03 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.405 0 N-CA-C 115.029 1.492 . . . . 15.0 115.029 -172.738 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.446 ' HB2' ' CD2' ' A' ' 17' ' ' TRP . 9.9 t0 -89.99 129.45 36.32 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.571 -0.74 . . . . 15.0 110.81 178.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 62.0 m-70 -88.98 -18.64 26.99 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.472 -0.785 . . . . 15.0 111.723 -176.149 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -91.61 -20.09 22.02 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.35 -0.54 . . . . 15.0 111.854 -171.576 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.0 m -117.23 -4.01 11.44 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.84 -0.344 . . . . 15.0 111.04 176.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 48.3 mmtm 58.32 73.57 0.47 Allowed 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 122.88 0.472 . . . . 15.0 111.315 -176.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.9 p -146.52 150.09 34.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.398 -0.365 . . . . 15.0 111.439 -178.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.415 HG23 ' O ' ' B' ' 115' ' ' PRO . 9.0 t -131.74 147.87 52.53 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.078 -0.51 . . . . 15.0 109.94 177.123 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.635 ' OG1' ' HB2' ' A' ' 29' ' ' PHE . 34.2 p -144.08 149.99 37.46 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.303 -0.408 . . . . 15.0 110.454 -176.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.692 ' CE3' ' HG2' ' A' ' 26' ' ' ARG . 95.1 m95 -95.38 -33.87 12.34 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.337 -0.616 . . . . 15.0 109.337 171.356 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -88.56 140.57 29.32 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.614 -0.721 . . . . 15.0 109.656 174.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -54.48 121.9 35.22 Favored Pre-proline 0 C--N 1.327 -0.381 0 O-C-N 123.501 0.501 . . . . 15.0 110.508 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.689 ' HG2' ' HG2' ' A' ' 14' ' ' PRO . 11.2 Cg_endo . . . . . 0 C--N 1.347 0.479 0 C-N-CA 123.714 2.943 . . . . 15.0 114.609 -177.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 114' ' ' PRO . . . . . 0.452 ' HA ' ' HD3' ' B' ' 115' ' ' PRO . 73.7 Cg_endo . . . . . 0 C--O 1.234 0.321 0 CA-C-O 120.852 0.272 . . . . 15.0 112.366 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 115' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' B' ' 114' ' ' PRO . 6.3 Cg_exo -79.41 135.48 11.9 Favored 'Trans proline' 0 N--CA 1.461 -0.43 0 C-N-CA 123.117 2.545 . . . . 15.0 111.788 178.18 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -65.27 136.53 56.7 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.395 -0.965 . . . . 15.0 108.395 174.137 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 117' ' ' TYR . . . . . 0.632 ' CE1' ' HB ' ' A' ' 30' ' ' ILE . 45.3 t80 -104.25 126.17 51.13 Favored 'General case' 0 C--N 1.316 -0.878 0 C-N-CA 120.11 -0.636 . . . . 15.0 112.623 -170.526 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 118' ' ' MET . . . . . . . . . . . . . 12.7 tpt -163.35 91.53 0.7 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.13 -0.941 . . . . 15.0 109.111 166.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 -125.99 109.31 12.29 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 114.585 -1.189 . . . . 15.0 110.308 -175.389 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.97 0 CA-C-O 118.475 -0.774 . . . . 15.0 110.003 -179.482 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.712 ' HG2' ' HB2' ' A' ' 42' ' ' PRO . 15.3 Cg_exo . . . . . 0 CA--C 1.529 0.242 0 CA-C-O 121.089 0.37 . . . . 15.0 112.611 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -76.08 11.82 1.35 Allowed 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 112.925 0.713 . . . . 15.0 112.925 -169.529 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.491 ' O ' ' HA ' ' A' ' 31' ' ' ASP . . . -114.14 -6.89 19.93 Favored Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 120.384 -0.912 . . . . 15.0 111.887 175.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.651 ' CE2' ' HB2' ' A' ' 31' ' ' ASP . 65.0 m95 -111.19 129.5 55.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.399 0.619 . . . . 15.0 112.183 -171.473 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -94.68 147.87 22.86 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.005 -0.998 . . . . 15.0 110.325 173.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.441 HG11 ' O ' ' A' ' 19' ' ' VAL . 7.4 p -97.77 90.96 2.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 121.652 0.739 . . . . 15.0 110.044 177.182 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -96.4 125.59 41.0 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.555 -0.535 . . . . 15.0 109.555 -178.083 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.492 ' HA ' ' HA ' ' A' ' 27' ' ' PRO . 7.7 t-80 -90.2 128.46 36.38 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.8 0.333 . . . . 15.0 110.744 -174.54 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.402 ' C ' ' H ' ' A' ' 24' ' ' ASN . . . -108.98 160.72 26.36 Favored Pre-proline 0 C--N 1.327 -0.405 0 CA-C-N 116.182 -0.463 . . . . 15.0 110.375 178.008 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_exo -64.36 3.65 0.77 Allowed 'Trans proline' 0 C--N 1.35 0.651 0 C-N-CA 123.185 2.59 . . . . 15.0 112.79 176.535 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.402 ' H ' ' C ' ' A' ' 22' ' ' ALA . 13.8 m120 -71.14 -3.15 18.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.827 -0.624 . . . . 15.0 111.105 175.085 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 69.73 12.86 68.1 Favored Glycine 0 N--CA 1.448 -0.517 0 N-CA-C 109.358 -1.497 . . . . 15.0 109.358 -168.222 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.502 ' HG2' ' HE3' ' A' ' 39' ' ' TRP . 19.5 ttp180 -130.56 132.62 24.1 Favored Pre-proline 0 N--CA 1.44 -0.937 0 CA-C-N 113.884 -1.158 . . . . 15.0 109.803 -172.463 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.492 ' HA ' ' HA ' ' A' ' 21' ' ' HIS . 7.0 Cg_endo -89.66 119.08 0.84 Allowed 'Trans proline' 0 N--CA 1.445 -1.348 0 C-N-CA 121.976 1.784 . . . . 15.0 110.695 170.242 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 49.0 p90 -89.69 137.59 32.2 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 108.944 -0.761 . . . . 15.0 108.944 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.436 ' O ' ' HA ' ' A' ' 37' ' ' THR . 96.8 m-85 -90.1 139.39 30.67 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 116.077 -0.51 . . . . 15.0 110.214 -175.684 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.597 ' HB ' ' CE2' ' B' ' 117' ' ' TYR . 10.4 pt -138.17 126.29 30.37 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.491 0 N-CA-C 114.016 1.117 . . . . 15.0 114.016 -177.69 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.651 ' HB2' ' CE2' ' A' ' 17' ' ' TRP . 15.9 t70 -89.82 132.25 35.35 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 115.175 -0.92 . . . . 15.0 109.891 179.459 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 61.6 m-70 -95.17 -22.65 17.71 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 113.109 0.781 . . . . 15.0 113.109 -174.132 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -81.76 -30.01 32.58 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 120.26 -0.576 . . . . 15.0 109.884 -177.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 18.0 p -134.9 103.7 5.7 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 108.174 -1.047 . . . . 15.0 108.174 170.189 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.522 ' HB3' ' CD1' ' B' ' 117' ' ' TYR . 11.7 mmmt -57.68 97.19 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 116.523 -0.308 . . . . 15.0 111.669 -166.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.7 p -145.03 150.0 36.1 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.838 -0.619 . . . . 15.0 110.622 -179.6 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.436 ' HA ' ' O ' ' A' ' 29' ' ' PHE . 10.2 t -129.03 144.94 51.35 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-O 120.685 0.279 . . . . 15.0 111.287 -177.475 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.523 ' HB ' ' OE2' ' A' ' 40' ' ' GLU . 66.4 p -133.01 150.06 52.18 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.229 -0.441 . . . . 15.0 110.695 178.314 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.502 ' HE3' ' HG2' ' A' ' 26' ' ' ARG . 99.8 m95 -93.85 -19.93 20.53 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.058 0.456 . . . . 15.0 109.974 174.616 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.523 ' OE2' ' HB ' ' A' ' 38' ' ' THR . 0.0 OUTLIER -103.8 144.5 31.41 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.734 -0.666 . . . . 15.0 110.159 175.674 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -58.52 123.15 65.42 Favored Pre-proline 0 C--N 1.324 -0.536 0 CA-C-N 115.37 -0.832 . . . . 15.0 111.392 -172.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.712 ' HB2' ' HG2' ' A' ' 14' ' ' PRO . 12.0 Cg_endo . . . . . 0 C--N 1.348 0.506 0 C-N-CA 122.926 2.417 . . . . 15.0 114.05 177.251 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 114' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_exo . . . . . 0 C--O 1.235 0.372 0 N-CA-C 110.929 -0.45 . . . . 15.0 110.929 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 115' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -60.14 130.17 33.22 Favored 'Trans proline' 0 N--CA 1.461 -0.4 0 C-N-CA 122.624 2.216 . . . . 15.0 112.194 -178.198 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 116' ' ' GLU . . . . . 0.46 ' CD ' ' H ' ' B' ' 116' ' ' GLU . 1.3 mp0 -56.07 133.98 52.31 Favored 'General case' 0 CA--C 1.516 -0.362 0 N-CA-C 108.664 -0.865 . . . . 15.0 108.664 175.043 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 117' ' ' TYR . . . . . 0.597 ' CE2' ' HB ' ' A' ' 30' ' ' ILE . 0.3 OUTLIER -107.3 119.88 40.61 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-O 121.377 0.608 . . . . 15.0 111.227 -169.89 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 118' ' ' MET . . . . . 0.427 ' N ' ' HD1' ' B' ' 117' ' ' TYR . 12.1 tmm? -160.03 105.75 1.56 Allowed 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 106.83 -1.545 . . . . 15.0 106.83 166.306 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 18.6 tp10 -173.49 123.52 0.37 Allowed 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.511 -0.768 . . . . 15.0 109.136 -168.357 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.875 0 CA-C-O 118.673 -0.679 . . . . 15.0 111.174 -179.056 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.902 ' HG2' ' HB2' ' A' ' 42' ' ' PRO . 67.4 Cg_exo . . . . . 0 N--CA 1.473 0.293 0 N-CA-C 113.326 0.472 . . . . 15.0 113.326 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 54.5 mttm -65.64 120.72 13.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.682 -0.69 . . . . 15.0 110.676 -178.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 116.74 -15.21 14.3 Favored Glycine 0 N--CA 1.449 -0.46 0 N-CA-C 111.437 -0.665 . . . . 15.0 111.437 -177.4 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.626 ' CD1' ' HB2' ' A' ' 14' ' ' PRO . 69.6 m95 -99.34 128.95 45.51 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.31 0.576 . . . . 15.0 110.503 178.758 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.402 ' HB2' HG13 ' A' ' 30' ' ' ILE . 48.7 mm-40 -95.92 142.61 27.95 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 115.625 -0.716 . . . . 15.0 110.028 175.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 9.9 p -96.52 107.72 20.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.7 0.762 . . . . 15.0 110.068 175.082 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 21.9 tpp180 -109.36 126.01 52.97 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.996 -0.742 . . . . 15.0 108.996 -179.59 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.409 ' HA ' ' HA ' ' A' ' 27' ' ' PRO . 7.7 t-80 -91.95 120.16 32.35 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.89 0.376 . . . . 15.0 110.999 -174.574 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.447 ' HB2' ' HD2' ' A' ' 23' ' ' PRO . . . -92.59 161.62 31.69 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-N 115.832 -0.622 . . . . 15.0 110.841 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.447 ' HD2' ' HB2' ' A' ' 22' ' ' ALA . 42.3 Cg_endo -67.67 5.85 0.9 Allowed 'Trans proline' 0 C--N 1.351 0.695 0 C-N-CA 122.923 2.415 . . . . 15.0 112.478 176.768 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.508 ' HB3' ' HB3' ' A' ' 26' ' ' ARG . 64.1 t30 -80.93 4.09 20.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.721 -0.672 . . . . 15.0 109.787 176.505 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 63.1 33.28 86.83 Favored Glycine 0 CA--C 1.505 -0.564 0 N-CA-C 109.277 -1.529 . . . . 15.0 109.277 -170.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.679 ' HG2' ' CE3' ' A' ' 39' ' ' TRP . 8.7 tpt180 -142.92 130.73 11.15 Favored Pre-proline 0 N--CA 1.443 -0.776 0 CA-C-N 114.06 -1.07 . . . . 15.0 110.236 -168.343 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.409 ' HA ' ' HA ' ' A' ' 21' ' ' HIS . 8.1 Cg_endo -89.76 124.38 1.27 Allowed 'Trans proline' 0 N--CA 1.453 -0.896 0 C-N-CA 122.178 1.919 . . . . 15.0 111.284 170.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 46.9 p90 -100.31 136.94 39.43 Favored 'General case' 0 N--CA 1.448 -0.531 0 N-CA-C 109.627 -0.509 . . . . 15.0 109.627 177.473 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.475 ' HB2' HG22 ' A' ' 38' ' ' THR . 80.8 m-85 -89.49 133.45 34.56 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.582 -0.735 . . . . 15.0 110.179 -175.199 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.871 ' HB ' ' HE2' ' B' ' 117' ' ' TYR . 15.1 pt -136.02 127.5 44.14 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.643 0 N-CA-C 114.756 1.391 . . . . 15.0 114.756 -174.211 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.626 ' HB2' ' CE2' ' A' ' 17' ' ' TRP . 11.2 t70 -98.03 129.56 44.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 114.936 -1.029 . . . . 15.0 111.0 -179.124 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.423 ' HE1' ' OE1' ' B' ' 119' ' ' GLU . 93.7 m-70 -87.07 -17.6 32.51 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.196 -0.456 . . . . 15.0 111.164 -179.205 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 43.6 m-80 -71.91 -59.07 2.94 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.069 0.461 . . . . 15.0 110.799 -175.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -100.36 0.49 40.07 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.773 -0.649 . . . . 15.0 111.719 -171.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 47.7 mmtm 57.71 81.12 0.15 Allowed 'General case' 0 C--O 1.232 0.143 0 CA-C-O 120.998 0.428 . . . . 15.0 110.237 -174.614 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 28.0 m -149.73 145.41 26.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.346 -0.388 . . . . 15.0 111.363 -175.079 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.673 HG22 ' HG2' ' B' ' 115' ' ' PRO . 25.6 m -124.81 140.16 53.18 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 116.07 -0.514 . . . . 15.0 110.3 179.368 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.526 HG23 ' CZ3' ' A' ' 17' ' ' TRP . 5.2 t -147.3 139.82 24.73 Favored 'General case' 0 C--O 1.223 -0.315 0 CA-C-O 120.796 0.332 . . . . 15.0 110.882 177.056 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.679 ' CE3' ' HG2' ' A' ' 26' ' ' ARG . 74.7 m95 -87.49 -15.1 38.55 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.725 -0.472 . . . . 15.0 109.725 175.821 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 57.1 mm-40 -94.5 132.86 38.74 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.459 -0.791 . . . . 15.0 109.665 176.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -57.39 120.07 37.22 Favored Pre-proline 0 C--N 1.326 -0.417 0 O-C-N 123.614 0.571 . . . . 15.0 110.337 -179.505 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.902 ' HB2' ' HG2' ' A' ' 14' ' ' PRO . 45.9 Cg_exo . . . . . 0 C--N 1.349 0.576 0 C-N-CA 122.979 2.453 . . . . 15.0 114.126 -177.673 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 114' ' ' PRO . . . . . 0.41 ' HA ' ' HD2' ' B' ' 115' ' ' PRO . 50.0 Cg_exo . . . . . 0 C--O 1.232 0.203 0 CA-C-O 120.792 0.247 . . . . 15.0 112.266 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 115' ' ' PRO . . . . . 0.673 ' HG2' HG22 ' A' ' 37' ' ' THR . 21.2 Cg_endo -61.15 132.7 42.89 Favored 'Trans proline' 0 C--O 1.237 0.431 0 C-N-CA 122.878 2.385 . . . . 15.0 112.308 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -63.22 119.87 10.44 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.083 -0.71 . . . . 15.0 109.083 176.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 117' ' ' TYR . . . . . 0.871 ' HE2' ' HB ' ' A' ' 30' ' ' ILE . 36.7 t80 -90.23 129.0 36.54 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 112.952 0.723 . . . . 15.0 112.952 -168.174 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 118' ' ' MET . . . . . 0.415 ' HE1' ' HB2' ' B' ' 118' ' ' MET . 14.8 ptm -162.46 103.65 1.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.904 -1.044 . . . . 15.0 108.718 165.451 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 119' ' ' GLU . . . . . 0.423 ' OE1' ' HE1' ' A' ' 32' ' ' HIS . 0.5 OUTLIER -156.87 111.15 2.72 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.136 -0.69 . . . . 15.0 109.136 -175.117 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.281 -0.866 . . . . 15.0 110.839 -177.161 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_exo . . . . . 0 N--CA 1.463 -0.291 0 CA-C-O 120.81 0.254 . . . . 15.0 111.845 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.69 ' HE3' ' HA ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -74.52 10.52 1.3 Allowed 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.965 0.728 . . . . 15.0 112.965 -171.334 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.591 ' O ' ' HA ' ' A' ' 31' ' ' ASP . . . -101.38 -14.9 29.08 Favored Glycine 0 N--CA 1.444 -0.801 0 C-N-CA 120.377 -0.916 . . . . 15.0 111.445 172.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.699 ' CE2' ' HB2' ' A' ' 31' ' ' ASP . 75.8 m95 -105.64 131.82 52.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.318 0.58 . . . . 15.0 111.989 -171.499 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -109.27 149.68 29.07 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.158 -0.928 . . . . 15.0 109.097 174.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 20.5 t -103.25 105.39 18.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 120.869 0.366 . . . . 15.0 110.291 -178.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.434 ' HD2' ' CZ ' ' A' ' 28' ' ' PHE . 40.4 ttm180 -109.9 127.39 54.7 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.993 -0.373 . . . . 15.0 109.993 179.71 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.698 ' HA ' ' HA ' ' A' ' 27' ' ' PRO . 35.8 t-80 -89.85 119.84 30.58 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.052 0.453 . . . . 15.0 110.266 -176.079 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.441 ' C ' ' H ' ' A' ' 24' ' ' ASN . . . -98.5 163.74 18.46 Favored Pre-proline 0 C--N 1.322 -0.621 0 CA-C-N 115.64 -0.709 . . . . 15.0 110.978 -176.48 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_exo -67.33 10.64 0.24 Allowed 'Trans proline' 0 C--N 1.35 0.617 0 C-N-CA 123.311 2.674 . . . . 15.0 112.752 177.108 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.441 ' H ' ' C ' ' A' ' 22' ' ' ALA . 0.9 OUTLIER -80.1 6.52 11.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 15.0 110.321 174.686 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 62.29 25.73 66.99 Favored Glycine 0 N--CA 1.446 -0.665 0 N-CA-C 109.773 -1.331 . . . . 15.0 109.773 -168.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.616 ' HG2' ' HE3' ' A' ' 39' ' ' TRP . 47.3 ttt180 -149.66 135.95 10.47 Favored Pre-proline 0 N--CA 1.441 -0.889 0 CA-C-N 114.63 -0.785 . . . . 15.0 110.873 -168.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.698 ' HA ' ' HA ' ' A' ' 21' ' ' HIS . 32.4 Cg_endo -89.87 127.73 1.57 Allowed 'Trans proline' 0 N--CA 1.454 -0.836 0 C-N-CA 122.554 2.169 . . . . 15.0 111.836 173.51 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.434 ' CZ ' ' HD2' ' A' ' 20' ' ' ARG . 2.6 p90 -99.09 146.52 26.0 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-O 121.298 0.57 . . . . 15.0 109.955 176.248 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -96.03 135.47 37.76 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 115.41 -0.813 . . . . 15.0 109.641 -178.567 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.795 ' HB ' ' CE2' ' B' ' 117' ' ' TYR . 18.0 pt -136.67 121.36 25.33 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.576 0 N-CA-C 114.448 1.277 . . . . 15.0 114.448 -174.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.699 ' HB2' ' CE2' ' A' ' 17' ' ' TRP . 8.5 t70 -90.1 131.49 35.93 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.706 -0.679 . . . . 15.0 110.8 178.668 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 49.6 m-70 -92.72 -10.88 35.51 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 113.738 1.014 . . . . 15.0 113.738 -173.573 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -108.68 -13.02 14.87 Favored 'General case' 0 N--CA 1.465 0.325 0 C-N-CA 119.677 -0.809 . . . . 15.0 111.946 -175.807 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.7 m -118.3 -8.39 10.58 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.108 -0.496 . . . . 15.0 110.634 178.325 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.515 ' HA ' ' CD1' ' B' ' 117' ' ' TYR . 14.2 mptt 56.02 78.13 0.21 Allowed 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 115.734 -0.666 . . . . 15.0 111.932 -177.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.2 p -149.94 150.2 31.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.028 -0.533 . . . . 15.0 111.431 -178.138 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 35.8 m -131.48 134.52 46.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.048 -0.524 . . . . 15.0 110.387 177.397 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.54 HG22 ' CZ3' ' A' ' 17' ' ' TRP . 8.8 t -138.48 149.21 45.19 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.843 0.354 . . . . 15.0 110.259 176.541 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.616 ' HE3' ' HG2' ' A' ' 26' ' ' ARG . 86.0 m95 -95.65 -7.17 38.31 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.149 0.499 . . . . 15.0 109.918 179.715 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -102.37 132.66 48.22 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.744 -0.662 . . . . 15.0 109.745 176.14 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 67.4 t0 -56.35 116.94 14.12 Favored Pre-proline 0 C--N 1.323 -0.557 0 CA-C-N 115.679 -0.692 . . . . 15.0 111.619 -176.475 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo . . . . . 0 C--N 1.352 0.748 0 C-N-CA 122.993 2.462 . . . . 15.0 113.654 179.372 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 114' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_exo . . . . . 0 C--O 1.232 0.224 0 CA-C-O 120.93 0.304 . . . . 15.0 112.289 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 115' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -71.55 139.86 35.11 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.761 2.307 . . . . 15.0 111.623 177.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.0 122.49 16.17 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.589 -0.523 . . . . 15.0 109.589 177.577 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 117' ' ' TYR . . . . . 0.795 ' CE2' ' HB ' ' A' ' 30' ' ' ILE . 38.8 t80 -96.5 121.29 38.16 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.095 0.474 . . . . 15.0 112.036 -170.033 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 118' ' ' MET . . . . . . . . . . . . . 14.5 tpt -152.38 48.87 0.76 Allowed 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 123.05 1.405 . . . . 15.0 108.565 170.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 119' ' ' GLU . . . . . 0.593 ' HB2' ' CZ ' ' B' ' 117' ' ' TYR . 9.8 mm-40 -90.66 120.35 31.65 Favored 'General case' 0 C--N 1.307 -1.268 0 CA-C-N 112.685 -2.052 . . . . 15.0 109.745 -179.099 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.647 -0.692 . . . . 15.0 110.089 176.7 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_exo . . . . . 0 N--CA 1.473 0.298 0 N-CA-C 114.681 0.993 . . . . 15.0 114.681 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 23.3 ttmm -69.34 -22.45 63.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.286 -0.87 . . . . 15.0 110.5 177.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -82.55 -22.77 57.81 Favored Glycine 0 N--CA 1.447 -0.611 0 CA-C-N 115.684 -0.689 . . . . 15.0 112.882 -178.521 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.678 ' CE2' ' HB2' ' A' ' 31' ' ' ASP . 77.0 m95 -103.48 133.3 48.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.103 0.478 . . . . 15.0 110.6 -178.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -114.02 149.58 35.18 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 109.125 -0.695 . . . . 15.0 109.125 176.138 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 21.8 t -105.09 96.77 4.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-O 120.789 0.328 . . . . 15.0 110.377 -178.218 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 40.5 ttm180 -104.5 146.2 29.21 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.584 -0.524 . . . . 15.0 109.584 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.482 ' HA ' ' HA ' ' A' ' 27' ' ' PRO . 12.1 t-80 -96.18 128.26 42.93 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 120.84 -0.344 . . . . 15.0 110.21 -179.73 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.493 ' HB2' ' HD2' ' A' ' 23' ' ' PRO . . . -104.18 162.98 18.25 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-N 116.087 -0.506 . . . . 15.0 110.805 -179.05 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.493 ' HD2' ' HB2' ' A' ' 22' ' ' ALA . 36.8 Cg_endo -66.22 6.15 0.56 Allowed 'Trans proline' 0 C--N 1.352 0.748 0 C-N-CA 123.105 2.536 . . . . 15.0 112.453 175.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.438 ' H ' ' C ' ' A' ' 22' ' ' ALA . 39.9 m-80 -79.81 11.34 3.31 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.602 -0.726 . . . . 15.0 110.553 176.528 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 57.98 34.15 71.3 Favored Glycine 0 CA--C 1.504 -0.628 0 N-CA-C 109.886 -1.286 . . . . 15.0 109.886 -173.363 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.567 ' HG2' ' HE3' ' A' ' 39' ' ' TRP . 9.1 ttt180 -155.05 142.63 13.99 Favored Pre-proline 0 N--CA 1.441 -0.891 0 CA-C-N 114.824 -0.688 . . . . 15.0 111.04 -167.703 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.482 ' HA ' ' HA ' ' A' ' 21' ' ' HIS . 1.9 Cg_endo -89.4 132.15 2.14 Favored 'Trans proline' 0 N--CA 1.459 -0.556 0 C-N-CA 122.592 2.195 . . . . 15.0 111.301 169.455 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.449 ' CE1' ' HB1' ' A' ' 22' ' ' ALA . 8.4 p90 -112.9 138.52 49.64 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.962 -0.563 . . . . 15.0 109.777 -179.839 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.405 ' O ' ' HA ' ' A' ' 37' ' ' THR . 89.4 m-85 -89.65 136.9 32.76 Favored 'General case' 0 CA--C 1.509 -0.619 0 CA-C-N 115.812 -0.631 . . . . 15.0 109.635 -177.12 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 1.037 ' HB ' ' HE2' ' B' ' 117' ' ' TYR . 21.2 pt -136.85 124.34 32.04 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.501 0 N-CA-C 115.286 1.587 . . . . 15.0 115.286 -173.638 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.678 ' HB2' ' CE2' ' A' ' 17' ' ' TRP . 14.7 t70 -94.07 125.61 38.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 114.676 -1.147 . . . . 15.0 110.828 179.276 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 -85.13 -7.03 59.26 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.318 -0.401 . . . . 15.0 111.672 -178.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 48.8 m-80 -83.33 -40.19 19.79 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 111.924 0.342 . . . . 15.0 111.924 -171.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.3 m -122.52 6.85 9.51 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.642 -0.254 . . . . 15.0 111.432 -175.123 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.493 ' HA ' ' CD1' ' B' ' 117' ' ' TYR . 38.3 mmtm 59.54 73.48 0.48 Allowed 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 116.456 -0.338 . . . . 15.0 110.378 -172.597 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -137.29 150.12 47.56 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.649 -0.25 . . . . 15.0 110.997 -175.59 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.405 ' HA ' ' O ' ' A' ' 29' ' ' PHE . 9.3 t -142.06 145.45 34.36 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.778 0.323 . . . . 15.0 110.631 178.199 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 80.8 p -135.56 145.21 46.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.363 -0.381 . . . . 15.0 110.919 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.567 ' HE3' ' HG2' ' A' ' 26' ' ' ARG . 97.9 m95 -88.94 -12.87 40.4 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.599 0.714 . . . . 15.0 109.273 172.786 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -107.69 140.84 40.12 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 114.809 -1.087 . . . . 15.0 109.499 178.675 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -65.91 117.09 38.81 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-N 116.609 -0.269 . . . . 15.0 110.499 176.16 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo . . . . . 0 C--O 1.218 -0.484 0 C-N-CA 122.405 2.07 . . . . 15.0 113.031 179.42 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 114' ' ' PRO . . . . . 0.506 ' HA ' ' HD3' ' B' ' 115' ' ' PRO . 30.2 Cg_endo . . . . . 0 C--O 1.234 0.296 0 CA-C-O 120.963 0.318 . . . . 15.0 112.245 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 115' ' ' PRO . . . . . 0.506 ' HD3' ' HA ' ' B' ' 114' ' ' PRO . 3.5 Cg_exo -80.68 136.51 10.85 Favored 'Trans proline' 0 N--CA 1.46 -0.458 0 C-N-CA 123.09 2.526 . . . . 15.0 112.166 -179.017 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -66.27 122.96 18.65 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.422 -0.584 . . . . 15.0 109.422 173.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 117' ' ' TYR . . . . . 1.037 ' HE2' ' HB ' ' A' ' 30' ' ' ILE . 18.8 t80 -88.12 121.13 30.16 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 120.293 -0.563 . . . . 15.0 111.797 -172.656 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 118' ' ' MET . . . . . . . . . . . . . 56.9 ttp -155.19 88.38 1.16 Allowed 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.271 -0.877 . . . . 15.0 109.279 165.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 68.7 mm-40 -128.82 105.56 8.32 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 114.603 -1.18 . . . . 15.0 110.242 -176.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.876 0 CA-C-O 118.403 -0.808 . . . . 15.0 110.291 178.871 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.772 ' HG2' ' HB2' ' A' ' 42' ' ' PRO . 19.4 Cg_exo . . . . . 0 N--CA 1.463 -0.279 0 CA-C-O 120.329 0.054 . . . . 15.0 111.966 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.7 tppp? -52.76 111.32 0.64 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.945 0.402 . . . . 15.0 111.004 -178.199 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 123.25 -19.58 7.65 Favored Glycine 0 N--CA 1.446 -0.668 0 CA-C-N 115.699 -0.682 . . . . 15.0 111.612 -178.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.648 ' HA ' ' O ' ' A' ' 30' ' ' ILE . 75.1 m95 -100.91 129.63 46.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.331 0.586 . . . . 15.0 111.239 179.493 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.415 ' O ' HG12 ' A' ' 30' ' ' ILE . 21.3 mt-10 -108.05 150.11 27.58 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.006 -0.997 . . . . 15.0 109.473 175.099 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 8.9 p -108.47 118.01 55.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 C-N-CA 120.063 -0.655 . . . . 15.0 110.784 177.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.546 ' HD2' ' CZ ' ' A' ' 28' ' ' PHE . 9.1 ttm180 -118.08 136.8 53.35 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.037 -0.727 . . . . 15.0 109.037 176.696 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 5.3 t-80 -90.13 123.7 34.19 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 120.619 -0.432 . . . . 15.0 110.07 -178.494 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.439 ' HB3' ' HD2' ' A' ' 23' ' ' PRO . . . -86.81 176.41 3.55 Favored Pre-proline 0 C--N 1.323 -0.575 0 CA-C-N 115.604 -0.725 . . . . 15.0 110.852 -177.842 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.439 ' HD2' ' HB3' ' A' ' 22' ' ' ALA . 32.9 Cg_exo -59.5 -23.0 68.96 Favored 'Trans proline' 0 C--N 1.355 0.872 0 C-N-CA 122.057 1.838 . . . . 15.0 110.912 168.869 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.452 ' C ' ' H ' ' A' ' 26' ' ' ARG . 42.2 m-80 -60.35 145.58 47.29 Favored 'General case' 0 CA--C 1.515 -0.368 0 CA-C-N 114.937 -1.029 . . . . 15.0 109.957 169.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.88 46.49 1.17 Allowed Glycine 0 N--CA 1.453 -0.226 0 N-CA-C 110.112 -1.195 . . . . 15.0 110.112 170.41 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.596 ' HG2' ' HE3' ' A' ' 39' ' ' TRP . 44.6 ttt180 -158.28 131.99 4.9 Favored Pre-proline 0 N--CA 1.44 -0.971 0 CA-C-N 114.426 -0.887 . . . . 15.0 109.502 -168.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 8.4 Cg_endo -89.45 131.44 2.05 Favored 'Trans proline' 0 N--CA 1.456 -0.724 0 C-N-CA 122.373 2.049 . . . . 15.0 111.617 172.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.546 ' CZ ' ' HD2' ' A' ' 20' ' ' ARG . 7.4 p90 -94.55 145.83 24.53 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.269 -0.573 . . . . 15.0 109.885 177.291 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -96.82 133.52 41.31 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.511 -0.768 . . . . 15.0 109.671 -178.383 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.648 ' O ' ' HA ' ' A' ' 17' ' ' TRP . 7.2 pt -132.35 123.78 50.75 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.539 0 N-CA-C 115.287 1.588 . . . . 15.0 115.287 -173.422 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.591 ' HB2' ' CE2' ' A' ' 17' ' ' TRP . 8.1 t70 -90.14 128.21 36.28 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 114.437 -1.256 . . . . 15.0 110.258 176.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 55.6 m-70 -91.68 -2.02 57.2 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.18 0.437 . . . . 15.0 112.18 -178.31 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 49.7 m-80 -81.34 -44.43 17.64 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.733 0.302 . . . . 15.0 110.375 -176.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 13.4 t -121.92 -0.19 9.6 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.188 -0.46 . . . . 15.0 110.782 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.822 ' HD3' ' HA ' ' B' ' 118' ' ' MET . 61.0 mttp 55.21 89.82 0.03 OUTLIER 'General case' 0 CA--C 1.526 0.055 0 CA-C-N 115.635 -0.711 . . . . 15.0 112.138 -176.301 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 39.1 m -146.46 134.03 20.95 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.58 -0.737 . . . . 15.0 110.693 176.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.739 HG22 ' HG2' ' B' ' 115' ' ' PRO . 37.8 p -96.87 129.07 44.37 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.456 -0.338 . . . . 15.0 111.277 178.448 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 68.7 p -122.56 135.59 54.67 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.884 -0.413 . . . . 15.0 109.884 174.301 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.596 ' HE3' ' HG2' ' A' ' 26' ' ' ARG . 97.1 m95 -87.72 -11.73 47.36 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.451 0.643 . . . . 15.0 109.305 174.655 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.7 mp0 -95.74 131.21 42.26 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.967 -1.015 . . . . 15.0 109.272 174.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -62.11 122.34 71.84 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 116.411 -0.359 . . . . 15.0 110.194 179.208 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.772 ' HB2' ' HG2' ' A' ' 14' ' ' PRO . 52.9 Cg_exo . . . . . 0 CA--C 1.535 0.544 0 C-N-CA 123.063 2.508 . . . . 15.0 114.463 -176.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 114' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo . . . . . 0 N--CA 1.458 -0.564 0 N-CA-C 111.272 -0.318 . . . . 15.0 111.272 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 115' ' ' PRO . . . . . 0.739 ' HG2' HG22 ' A' ' 37' ' ' THR . 41.0 Cg_endo -68.97 143.99 56.64 Favored 'Trans proline' 0 C--O 1.236 0.378 0 C-N-CA 122.623 2.215 . . . . 15.0 111.999 179.003 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 116' ' ' GLU . . . . . 0.429 ' CD ' ' H ' ' B' ' 116' ' ' GLU . 1.4 pm0 -66.62 120.0 12.7 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.639 -0.504 . . . . 15.0 109.639 178.011 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 117' ' ' TYR . . . . . 0.627 ' CE2' ' HB ' ' A' ' 30' ' ' ILE . 1.0 OUTLIER -103.96 120.26 40.67 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.283 0.563 . . . . 15.0 112.244 -168.443 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 118' ' ' MET . . . . . 0.822 ' HA ' ' HD3' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -162.23 95.45 0.94 Allowed 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 115.251 -0.886 . . . . 15.0 109.632 165.451 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 119' ' ' GLU . . . . . 0.403 ' HG3' ' HE1' ' B' ' 117' ' ' TYR . 49.3 mt-10 -105.91 -87.37 0.46 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.438 0.637 . . . . 15.0 109.339 177.053 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.883 0 CA-C-N 114.916 -1.038 . . . . 15.0 108.47 176.348 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.444 ' HG2' ' HB2' ' A' ' 42' ' ' PRO . 1.4 Cg_exo . . . . . 0 C--O 1.235 0.347 0 N-CA-C 114.942 1.093 . . . . 15.0 114.942 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.414 ' HE2' ' HB3' ' A' ' 15' ' ' LYS . 3.3 tmmm? -62.07 118.7 7.67 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.032 -0.729 . . . . 15.0 109.032 172.114 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 121.49 -13.22 9.45 Favored Glycine 0 N--CA 1.446 -0.666 0 N-CA-C 111.349 -0.7 . . . . 15.0 111.349 -176.455 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.496 ' HA ' ' O ' ' A' ' 30' ' ' ILE . 73.1 m95 -108.92 121.95 46.19 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.419 0.628 . . . . 15.0 110.548 176.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.675 ' HB2' HG13 ' A' ' 30' ' ' ILE . 0.4 OUTLIER -89.96 150.09 22.3 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 114.572 -1.194 . . . . 15.0 110.276 178.497 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 10.3 p -100.64 106.59 19.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 122.255 1.026 . . . . 15.0 109.995 171.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.476 ' HB3' ' CE1' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -105.03 121.14 43.16 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 114.6 -1.182 . . . . 15.0 109.21 -177.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.455 ' HA ' ' HA ' ' A' ' 27' ' ' PRO . 9.0 t-80 -90.17 120.41 31.32 Favored 'General case' 0 C--N 1.317 -0.841 0 C-N-CA 120.105 -0.638 . . . . 15.0 110.728 -176.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.488 ' C ' ' H ' ' A' ' 24' ' ' ASN . . . -98.37 161.19 26.11 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-N 116.115 -0.493 . . . . 15.0 110.854 -179.495 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.4 ' HD2' ' HB2' ' A' ' 22' ' ' ALA . 40.0 Cg_endo -68.58 14.1 0.2 Allowed 'Trans proline' 0 C--N 1.349 0.582 0 C-N-CA 123.107 2.538 . . . . 15.0 112.459 174.627 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.488 ' H ' ' C ' ' A' ' 22' ' ' ALA . 43.1 m-80 -84.05 8.61 14.84 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.537 -0.756 . . . . 15.0 109.896 174.717 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 60.15 27.77 65.59 Favored Glycine 0 CA--C 1.505 -0.59 0 N-CA-C 109.702 -1.359 . . . . 15.0 109.702 -171.113 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.622 ' HG2' ' HE3' ' A' ' 39' ' ' TRP . 55.7 ttt180 -150.08 137.74 11.77 Favored Pre-proline 0 N--CA 1.44 -0.934 0 CA-C-N 114.866 -0.667 . . . . 15.0 110.577 -168.403 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.455 ' HA ' ' HA ' ' A' ' 21' ' ' HIS . 10.0 Cg_endo -89.51 125.73 1.47 Allowed 'Trans proline' 0 N--CA 1.454 -0.84 0 C-N-CA 122.479 2.12 . . . . 15.0 112.19 172.612 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.476 ' CE1' ' HB3' ' A' ' 20' ' ' ARG . 27.0 p90 -97.74 140.09 32.64 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.148 -0.686 . . . . 15.0 109.148 175.543 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -90.05 137.48 32.31 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.979 -0.555 . . . . 15.0 110.126 -174.5 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.675 HG13 ' HB2' ' A' ' 18' ' ' GLU . 3.6 pt -132.95 123.98 49.41 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.583 0 N-CA-C 116.758 2.133 . . . . 15.0 116.758 -171.006 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.08 130.96 36.18 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 114.098 -1.41 . . . . 15.0 109.54 172.641 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 45.1 m-70 -99.56 -1.9 37.1 Favored 'General case' 0 C--N 1.317 -0.812 0 C-N-CA 120.648 -0.421 . . . . 15.0 111.85 -178.347 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 37.0 m-80 -78.9 -42.5 27.01 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 120.729 0.3 . . . . 15.0 111.053 -176.101 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.7 t -127.44 11.78 6.89 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.658 0.266 . . . . 15.0 110.685 179.624 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.441 ' HD2' ' CE1' ' B' ' 117' ' ' TYR . 47.5 mmtm 54.13 72.58 0.44 Allowed 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 115.716 -0.675 . . . . 15.0 111.738 -177.781 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 15.9 p -135.2 147.53 49.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.936 -0.575 . . . . 15.0 110.493 175.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.1 t -136.52 150.09 48.47 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.722 0.296 . . . . 15.0 111.291 -174.348 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -143.65 149.97 38.06 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.356 -0.609 . . . . 15.0 109.356 177.656 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.622 ' HE3' ' HG2' ' A' ' 26' ' ' ARG . 83.8 m95 -97.4 -10.5 25.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.861 0.362 . . . . 15.0 111.132 -177.257 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 20.4 mp0 -78.34 -93.94 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.877 -0.601 . . . . 15.0 109.819 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -177.02 122.82 0.28 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 115.714 -0.676 . . . . 15.0 109.244 173.054 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.444 ' HB2' ' HG2' ' A' ' 14' ' ' PRO . 12.1 Cg_endo . . . . . 0 C--O 1.22 -0.376 0 C-N-CA 123.692 2.928 . . . . 15.0 114.738 -177.146 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 114' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_endo . . . . . 0 C--O 1.234 0.32 0 CA-C-O 120.869 0.279 . . . . 15.0 111.963 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 115' ' ' PRO . . . . . 0.46 ' HD3' ' HZ2' ' A' ' 39' ' ' TRP . 91.1 Cg_endo -79.52 143.11 16.84 Favored 'Trans proline' 0 C--O 1.235 0.346 0 C-N-CA 122.684 2.256 . . . . 15.0 111.939 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -66.38 120.04 12.64 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.285 -0.635 . . . . 15.0 109.285 176.344 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 117' ' ' TYR . . . . . 0.611 ' HD1' ' N ' ' B' ' 118' ' ' MET . 0.6 OUTLIER -84.49 119.89 25.68 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.295 0.569 . . . . 15.0 111.843 -170.917 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 118' ' ' MET . . . . . 0.611 ' N ' ' HD1' ' B' ' 117' ' ' TYR . 51.3 tpp -170.05 95.45 0.26 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 114.753 -1.112 . . . . 15.0 109.231 164.349 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -158.97 123.35 4.01 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.194 -0.912 . . . . 15.0 109.664 -177.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.93 0 CA-C-O 118.419 -0.8 . . . . 15.0 111.597 179.9 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.631 ' HB2' ' CD1' ' A' ' 17' ' ' TRP . 46.8 Cg_exo . . . . . 0 CA--C 1.529 0.229 0 N-CA-C 113.848 0.672 . . . . 15.0 113.848 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.573 ' H ' ' HD3' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -61.58 121.43 12.73 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.829 -0.623 . . . . 15.0 110.672 176.668 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 116.97 -18.02 12.65 Favored Glycine 0 N--CA 1.447 -0.602 0 N-CA-C 111.084 -0.806 . . . . 15.0 111.084 -175.394 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.631 ' CD1' ' HB2' ' A' ' 14' ' ' PRO . 62.3 m95 -102.43 134.52 45.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.332 0.587 . . . . 15.0 110.602 179.62 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.434 ' HB2' HG13 ' A' ' 30' ' ' ILE . 53.8 mm-40 -102.23 149.62 24.12 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.076 -0.966 . . . . 15.0 109.615 174.357 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 8.9 p -104.72 127.25 59.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-O 121.417 0.627 . . . . 15.0 109.459 171.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 43.4 ttm180 -130.65 133.54 46.21 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 109.12 -0.696 . . . . 15.0 109.12 178.621 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.406 ' HA ' ' HA ' ' A' ' 27' ' ' PRO . 5.7 t-80 -89.83 116.19 27.73 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-O 120.904 0.383 . . . . 15.0 110.255 -176.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.455 ' C ' ' H ' ' A' ' 24' ' ' ASN . . . -91.81 160.51 35.99 Favored Pre-proline 0 C--N 1.322 -0.609 0 CA-C-N 115.837 -0.619 . . . . 15.0 110.532 -178.845 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_exo -62.2 2.77 0.56 Allowed 'Trans proline' 0 C--N 1.352 0.736 0 C-N-CA 123.042 2.495 . . . . 15.0 112.412 175.14 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.455 ' H ' ' C ' ' A' ' 22' ' ' ALA . 3.6 t-20 -71.8 -5.05 31.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.558 -0.747 . . . . 15.0 110.406 175.153 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 69.27 28.93 72.17 Favored Glycine 0 N--CA 1.446 -0.69 0 N-CA-C 109.278 -1.529 . . . . 15.0 109.278 -170.068 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.543 ' HG2' ' HE3' ' A' ' 39' ' ' TRP . 36.7 ttt180 -149.39 139.37 13.27 Favored Pre-proline 0 N--CA 1.44 -0.93 0 CA-C-N 114.55 -0.825 . . . . 15.0 110.835 -169.273 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.406 ' HA ' ' HA ' ' A' ' 21' ' ' HIS . 9.8 Cg_endo -89.52 126.15 1.51 Allowed 'Trans proline' 0 N--CA 1.453 -0.889 0 C-N-CA 122.485 2.123 . . . . 15.0 111.589 172.42 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 12.7 p90 -103.2 137.58 41.16 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.779 -0.452 . . . . 15.0 109.779 178.654 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -89.65 135.7 33.46 Favored 'General case' 0 CA--C 1.51 -0.584 0 CA-C-N 115.845 -0.616 . . . . 15.0 109.747 -175.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 1.067 ' HB ' ' HE2' ' B' ' 117' ' ' TYR . 19.2 pt -137.49 123.16 26.0 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.522 0 N-CA-C 115.346 1.61 . . . . 15.0 115.346 -172.816 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.591 ' HB2' ' CE2' ' A' ' 17' ' ' TRP . 8.8 t70 -90.05 126.11 35.65 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 115.087 -0.96 . . . . 15.0 110.84 178.237 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 67.9 m-70 -87.4 -14.49 40.47 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.36 -0.382 . . . . 15.0 111.197 -178.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 51.7 m-80 -72.49 -60.4 2.25 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.775 0.321 . . . . 15.0 111.185 -174.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 73.4 p -103.32 2.85 34.65 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.814 -0.63 . . . . 15.0 111.225 -174.497 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 48.5 mmtm 60.49 76.42 0.37 Allowed 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 115.93 -0.577 . . . . 15.0 110.966 -179.062 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 14.4 t -149.95 150.39 31.78 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 116.118 -0.492 . . . . 15.0 110.684 -179.612 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.2 t -134.38 150.05 50.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.034 0.445 . . . . 15.0 111.376 -177.175 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.514 HG22 ' CZ3' ' A' ' 17' ' ' TRP . 4.4 t -145.95 142.95 29.19 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.862 -0.608 . . . . 15.0 110.547 177.686 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.543 ' HE3' ' HG2' ' A' ' 26' ' ' ARG . 85.7 m95 -86.88 -14.38 42.13 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.035 0.445 . . . . 15.0 110.1 177.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -104.84 138.44 41.09 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.569 -0.741 . . . . 15.0 109.716 178.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -52.93 115.46 7.41 Favored Pre-proline 0 N--CA 1.465 0.296 0 O-C-N 123.615 0.572 . . . . 15.0 112.033 -178.52 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.609 ' HG2' ' HG2' ' A' ' 14' ' ' PRO . 37.8 Cg_endo . . . . . 0 N--CA 1.461 -0.427 0 C-N-CA 121.605 1.537 . . . . 15.0 112.026 173.524 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 114' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo . . . . . 0 C--O 1.234 0.31 0 CA-C-O 120.95 0.313 . . . . 15.0 111.998 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 115' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -69.07 133.63 27.34 Favored 'Trans proline' 0 C--O 1.234 0.322 0 C-N-CA 122.777 2.318 . . . . 15.0 112.252 -179.34 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -56.72 122.37 11.96 Favored 'General case' 0 C--O 1.233 0.197 0 N-CA-C 109.26 -0.644 . . . . 15.0 109.26 173.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 117' ' ' TYR . . . . . 1.067 ' HE2' ' HB ' ' A' ' 30' ' ' ILE . 9.2 t80 -95.41 123.09 38.77 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 112.902 0.704 . . . . 15.0 112.902 -166.634 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 118' ' ' MET . . . . . . . . . . . . . 14.1 tpt -161.45 80.53 0.59 Allowed 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 114.835 -1.075 . . . . 15.0 108.214 162.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 40.8 mm-40 -119.01 124.77 47.79 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 114.082 -1.417 . . . . 15.0 111.235 -170.411 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.058 0 CA-C-N 115.408 -0.815 . . . . 15.0 108.893 174.08 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 25.3 Cg_exo . . . . . 0 N--CA 1.472 0.227 0 N-CA-C 113.609 0.581 . . . . 15.0 113.609 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.8 ptpp? -68.27 -13.07 61.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.274 -0.421 . . . . 15.0 111.05 -179.392 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -82.53 -20.84 61.18 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.94 -0.647 . . . . 15.0 112.155 178.089 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.559 ' HA ' ' O ' ' A' ' 30' ' ' ILE . 74.3 m95 -108.31 142.5 38.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.204 0.526 . . . . 15.0 110.344 -178.529 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.67 ' HB2' ' HE2' ' A' ' 32' ' ' HIS . 11.2 tp10 -115.57 149.97 37.38 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 109.093 -0.706 . . . . 15.0 109.093 174.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.436 ' O ' HG12 ' A' ' 19' ' ' VAL . 7.5 p -103.17 91.61 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-O 121.768 0.794 . . . . 15.0 110.449 179.588 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.602 ' HD2' ' CZ ' ' A' ' 28' ' ' PHE . 11.6 ttm180 -95.24 123.6 38.84 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.858 -0.793 . . . . 15.0 108.858 179.254 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.471 ' HA ' ' HA ' ' A' ' 27' ' ' PRO . 18.6 t-80 -89.94 127.65 36.07 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.072 0.463 . . . . 15.0 110.838 -172.831 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.446 ' C ' ' H ' ' A' ' 24' ' ' ASN . . . -101.63 161.32 23.89 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 115.785 -0.643 . . . . 15.0 110.974 -178.038 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_exo -66.99 6.86 0.51 Allowed 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 123.147 2.565 . . . . 15.0 111.973 173.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.446 ' H ' ' C ' ' A' ' 22' ' ' ALA . 2.7 t-20 -74.66 0.54 14.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.756 -0.656 . . . . 15.0 110.112 175.402 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 65.17 26.37 71.51 Favored Glycine 0 N--CA 1.445 -0.723 0 N-CA-C 109.377 -1.489 . . . . 15.0 109.377 -170.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.568 ' HG2' ' HE3' ' A' ' 39' ' ' TRP . 15.8 ttp180 -145.51 138.89 14.36 Favored Pre-proline 0 N--CA 1.443 -0.81 0 CA-C-N 114.25 -0.975 . . . . 15.0 110.507 -171.732 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.471 ' HA ' ' HA ' ' A' ' 21' ' ' HIS . 4.9 Cg_endo -89.54 123.41 1.24 Allowed 'Trans proline' 0 N--CA 1.452 -0.967 0 C-N-CA 122.442 2.095 . . . . 15.0 111.452 169.679 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.602 ' CZ ' ' HD2' ' A' ' 20' ' ' ARG . 14.9 p90 -94.58 140.19 30.18 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 120.127 -0.629 . . . . 15.0 109.473 176.54 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 78.9 m-85 -90.6 132.53 35.68 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.035 -0.53 . . . . 15.0 109.938 -177.223 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.877 ' HB ' ' HE2' ' B' ' 117' ' ' TYR . 15.2 pt -133.57 126.4 51.59 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 N-CA-C 114.644 1.35 . . . . 15.0 114.644 -175.765 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.482 ' HB2' ' CE2' ' A' ' 17' ' ' TRP . 17.0 t70 -90.28 128.47 36.43 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-N 115.205 -0.907 . . . . 15.0 110.155 178.254 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.67 ' HE2' ' HB2' ' A' ' 18' ' ' GLU . 80.4 m-70 -88.25 -12.09 44.67 Favored 'General case' 0 N--CA 1.462 0.16 0 O-C-N 124.032 0.832 . . . . 15.0 111.464 -176.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 34.1 m-80 -78.82 -33.92 45.69 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.675 0.75 . . . . 15.0 109.602 -176.125 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 41.0 m -149.76 110.78 4.35 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 114.762 -1.108 . . . . 15.0 108.236 172.48 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.57 ' HB3' ' HB3' ' B' ' 117' ' ' TYR . 61.3 mttp -34.91 98.98 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.265 0 O-C-N 124.304 1.003 . . . . 15.0 113.009 -174.582 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.416 ' O ' ' HA ' ' A' ' 30' ' ' ILE . 38.1 m -138.59 137.51 37.04 Favored 'General case' 0 CA--C 1.531 0.245 0 N-CA-C 112.103 0.409 . . . . 15.0 112.103 178.504 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.8 p -119.9 127.25 52.52 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.893 -0.594 . . . . 15.0 110.826 176.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 71.7 p -128.59 144.34 51.13 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 121.133 -0.227 . . . . 15.0 110.497 175.364 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.568 ' HE3' ' HG2' ' A' ' 26' ' ' ARG . 94.7 m95 -93.73 -11.28 31.79 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 108.719 -0.845 . . . . 15.0 108.719 173.489 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -108.3 138.64 44.25 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.635 -1.166 . . . . 15.0 109.603 177.227 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -63.2 123.18 79.55 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-N 116.255 -0.429 . . . . 15.0 111.446 -175.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo . . . . . 0 C--N 1.344 0.303 0 C-N-CA 123.404 2.736 . . . . 15.0 114.536 -175.975 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 114' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo . . . . . 0 C--O 1.234 0.308 0 CA-C-O 120.568 0.153 . . . . 15.0 111.808 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 115' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -66.35 139.78 55.82 Favored 'Trans proline' 0 N--CA 1.465 -0.189 0 C-N-CA 122.662 2.242 . . . . 15.0 111.774 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -67.21 120.03 13.09 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.955 0.407 . . . . 15.0 110.023 178.19 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 117' ' ' TYR . . . . . 0.877 ' HE2' ' HB ' ' A' ' 30' ' ' ILE . 0.9 OUTLIER -74.31 119.68 18.84 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.424 -0.353 . . . . 15.0 110.116 -177.36 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 118' ' ' MET . . . . . . . . . . . . . 86.4 mmm -156.13 104.71 2.28 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.445 -0.798 . . . . 15.0 109.364 173.435 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -122.49 -14.2 7.85 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 109.112 -0.699 . . . . 15.0 109.112 173.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.244 0.807 0 CA-C-N 114.946 -1.024 . . . . 15.0 109.323 -178.981 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 1.028 ' HG2' ' HG2' ' A' ' 42' ' ' PRO . 12.0 Cg_exo . . . . . 0 CA--C 1.545 1.027 0 N-CA-C 114.216 0.814 . . . . 15.0 114.216 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.9 tmtm? -144.06 118.05 9.42 Favored 'General case' 0 C--N 1.329 -0.313 0 O-C-N 121.76 -0.588 . . . . 15.0 109.549 176.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 100.32 1.23 55.71 Favored Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 120.798 -0.715 . . . . 15.0 111.836 179.256 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.529 ' HA ' ' O ' ' A' ' 30' ' ' ILE . 89.1 m95 -104.83 125.56 51.0 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.369 0.604 . . . . 15.0 110.907 -179.486 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.538 ' HB2' HG13 ' A' ' 30' ' ' ILE . 32.9 mm-40 -97.39 149.95 21.56 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 115.008 -0.996 . . . . 15.0 109.342 175.119 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 7.3 p -99.09 108.44 22.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-O 121.607 0.717 . . . . 15.0 110.351 177.662 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.574 ' HD2' ' CZ ' ' A' ' 28' ' ' PHE . 37.2 ttm-85 -109.69 126.9 54.18 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.926 -0.579 . . . . 15.0 109.688 179.079 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.426 ' HE1' ' HA2' ' A' ' 25' ' ' GLY . 5.1 t-80 -93.83 124.09 37.6 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.321 -0.4 . . . . 15.0 110.519 -176.659 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.459 ' HB2' ' HD2' ' A' ' 23' ' ' PRO . . . -83.25 179.31 1.98 Allowed Pre-proline 0 C--N 1.325 -0.458 0 CA-C-N 115.979 -0.555 . . . . 15.0 110.288 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.459 ' HD2' ' HB2' ' A' ' 22' ' ' ALA . 31.9 Cg_exo -61.1 -14.08 31.46 Favored 'Trans proline' 0 C--N 1.353 0.812 0 C-N-CA 121.967 1.778 . . . . 15.0 111.092 167.598 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 43.3 t-20 -77.69 137.93 38.78 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 114.941 -1.027 . . . . 15.0 108.348 170.341 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.426 ' HA2' ' HE1' ' A' ' 21' ' ' HIS . . . -57.38 -15.09 14.79 Favored Glycine 0 C--N 1.335 0.483 0 N-CA-C 110.964 -0.854 . . . . 15.0 110.964 173.148 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.509 ' HG2' ' CE3' ' A' ' 39' ' ' TRP . 9.7 tpt180 -72.65 129.9 86.33 Favored Pre-proline 0 N--CA 1.44 -0.927 0 CA-C-N 114.314 -0.943 . . . . 15.0 111.449 173.058 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo -89.59 135.92 2.6 Favored 'Trans proline' 0 N--CA 1.461 -0.383 0 C-N-CA 122.844 2.362 . . . . 15.0 111.356 168.033 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.574 ' CZ ' ' HD2' ' A' ' 20' ' ' ARG . 52.3 p90 -110.6 150.07 29.49 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 120.658 -0.417 . . . . 15.0 110.081 178.025 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 74.5 m-85 -97.84 141.3 31.0 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.831 -0.622 . . . . 15.0 110.99 -172.376 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.729 ' HB ' ' CE2' ' B' ' 117' ' ' TYR . 10.7 pt -134.05 126.35 49.88 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.319 0 N-CA-C 114.579 1.325 . . . . 15.0 114.579 -177.169 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -94.59 130.01 41.21 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 114.695 -1.139 . . . . 15.0 111.318 179.531 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 43.4 m-70 -96.61 3.92 52.26 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.722 -0.672 . . . . 15.0 111.867 -177.507 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 48.5 m-80 -86.46 -40.71 15.06 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.768 -0.373 . . . . 15.0 111.148 -177.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.8 t -138.18 21.76 2.79 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 116.725 -0.216 . . . . 15.0 111.55 -176.245 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 58.5 mttp 49.93 70.75 0.46 Allowed 'General case' 0 C--O 1.233 0.22 0 CA-C-O 121.302 0.572 . . . . 15.0 112.146 -178.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 21.6 p -132.31 150.06 52.23 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.626 -0.715 . . . . 15.0 110.323 178.552 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.1 t -137.61 149.95 47.04 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.999 0.428 . . . . 15.0 110.858 -177.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 7.7 t -150.06 146.31 26.88 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.95 -0.568 . . . . 15.0 109.876 179.416 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.509 ' CE3' ' HG2' ' A' ' 26' ' ' ARG . 92.4 m95 -88.0 -36.3 17.11 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 109.957 -0.386 . . . . 15.0 109.957 178.714 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -82.57 131.34 35.21 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.709 -0.848 . . . . 15.0 108.709 173.523 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -52.61 122.93 28.61 Favored Pre-proline 0 C--N 1.33 -0.275 0 O-C-N 123.542 0.526 . . . . 15.0 110.621 -176.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 1.028 ' HG2' ' HG2' ' A' ' 14' ' ' PRO . 15.0 Cg_endo . . . . . 0 CA--C 1.528 0.211 0 C-N-CA 123.692 2.928 . . . . 15.0 114.2 -177.505 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 114' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_exo . . . . . 0 C--O 1.234 0.289 0 CA-C-O 120.843 0.268 . . . . 15.0 112.121 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 115' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -79.11 143.6 17.96 Favored 'Trans proline' 0 N--CA 1.463 -0.307 0 C-N-CA 122.849 2.366 . . . . 15.0 112.236 179.573 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 116' ' ' GLU . . . . . 0.437 ' H ' ' CD ' ' B' ' 116' ' ' GLU . 1.0 OUTLIER -70.1 133.79 47.52 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 108.93 -0.767 . . . . 15.0 108.93 176.29 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 117' ' ' TYR . . . . . 0.729 ' CE2' ' HB ' ' A' ' 30' ' ' ILE . 0.8 OUTLIER -100.05 123.43 44.28 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 121.046 0.45 . . . . 15.0 111.402 -175.461 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 118' ' ' MET . . . . . . . . . . . . . 13.1 tpt -170.99 99.64 0.21 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.293 -0.867 . . . . 15.0 109.654 169.463 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -113.22 -54.94 2.58 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.191 -0.67 . . . . 15.0 109.191 175.06 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.066 0 CA-C-N 115.134 -0.939 . . . . 15.0 109.085 175.569 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_exo . . . . . 0 N--CA 1.463 -0.299 0 CA-C-O 120.672 0.197 . . . . 15.0 112.131 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -69.45 -3.8 15.95 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.448 -0.342 . . . . 15.0 111.852 -173.437 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -92.39 -16.49 49.56 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 121.145 -0.55 . . . . 15.0 112.208 176.04 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.523 ' HA ' ' O ' ' A' ' 30' ' ' ILE . 64.2 m95 -100.27 135.16 42.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.144 0.497 . . . . 15.0 110.26 179.26 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.457 ' O ' HG12 ' A' ' 30' ' ' ILE . 18.5 mm-40 -100.62 130.77 46.72 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 116.086 -0.506 . . . . 15.0 110.023 175.611 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.43 HG12 ' O ' ' A' ' 19' ' ' VAL . 8.3 p -89.73 96.69 6.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-O 121.656 0.741 . . . . 15.0 109.751 175.002 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.559 ' HB3' ' CE1' ' A' ' 28' ' ' PHE . 4.4 tpp180 -99.53 126.61 45.52 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.867 -0.606 . . . . 15.0 109.824 -177.296 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.414 ' HA ' ' HA ' ' A' ' 27' ' ' PRO . 8.8 t-80 -89.94 110.94 21.87 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.199 0.523 . . . . 15.0 110.381 -173.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.43 ' C ' ' H ' ' A' ' 24' ' ' ASN . . . -89.51 161.29 39.94 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 115.508 -0.769 . . . . 15.0 111.033 -176.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_exo -67.48 12.53 0.19 Allowed 'Trans proline' 0 C--N 1.352 0.725 0 C-N-CA 123.457 2.771 . . . . 15.0 113.136 178.469 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.542 ' HB3' ' HB3' ' A' ' 26' ' ' ARG . 62.7 t30 -85.37 0.38 52.31 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-O 121.197 0.522 . . . . 15.0 110.165 176.684 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 66.83 21.28 71.17 Favored Glycine 0 N--CA 1.446 -0.645 0 N-CA-C 109.259 -1.537 . . . . 15.0 109.259 -166.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.827 ' HG2' ' HE3' ' A' ' 39' ' ' TRP . 44.1 ttp180 -142.15 129.18 11.24 Favored Pre-proline 0 N--CA 1.442 -0.853 0 CA-C-N 113.934 -1.133 . . . . 15.0 109.219 -171.844 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.414 ' HA ' ' HA ' ' A' ' 21' ' ' HIS . 18.0 Cg_endo -89.44 130.23 1.94 Allowed 'Trans proline' 0 N--CA 1.455 -0.771 0 C-N-CA 122.296 1.998 . . . . 15.0 112.286 176.845 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.559 ' CE1' ' HB3' ' A' ' 20' ' ' ARG . 9.8 p90 -93.49 136.58 33.63 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-O 121.546 0.689 . . . . 15.0 109.867 176.592 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 67.4 m-85 -89.96 130.7 36.13 Favored 'General case' 0 C--N 1.317 -0.804 0 CA-C-N 115.108 -0.951 . . . . 15.0 108.855 -178.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.964 ' HB ' ' HE2' ' B' ' 117' ' ' TYR . 19.5 pt -133.37 127.93 54.54 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.648 0 N-CA-C 115.296 1.591 . . . . 15.0 115.296 -173.147 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.473 ' HB2' ' CE2' ' A' ' 17' ' ' TRP . 9.8 t70 -93.77 132.87 37.73 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 114.252 -1.34 . . . . 15.0 110.154 176.025 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 50.7 m-70 -91.37 -10.22 41.99 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.246 -0.434 . . . . 15.0 111.572 -175.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 37.4 m-80 -81.81 -48.04 12.09 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.889 0.376 . . . . 15.0 111.052 -172.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.463 HG22 ' OD2' ' A' ' 31' ' ' ASP . 15.4 t -115.46 10.08 15.65 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.12 -0.491 . . . . 15.0 111.919 -173.517 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.828 ' HG3' ' HD1' ' B' ' 117' ' ' TYR . 9.9 mptt 53.69 83.5 0.07 Allowed 'General case' 0 CA--C 1.53 0.18 0 CA-C-O 121.193 0.52 . . . . 15.0 111.83 -177.699 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 89.7 m -145.64 132.74 20.38 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.231 -0.44 . . . . 15.0 111.434 179.571 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.712 HG21 ' HD2' ' B' ' 115' ' ' PRO . 18.0 m -114.95 130.07 56.85 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.589 -0.732 . . . . 15.0 109.825 176.476 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.672 ' OG1' ' HG2' ' A' ' 40' ' ' GLU . 14.8 t -142.05 150.08 40.78 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.626 -0.429 . . . . 15.0 111.677 -179.447 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.827 ' HE3' ' HG2' ' A' ' 26' ' ' ARG . 17.4 m95 -113.86 -6.08 13.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.24 -0.436 . . . . 15.0 110.132 179.48 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.672 ' HG2' ' OG1' ' A' ' 38' ' ' THR . 11.8 pt-20 -82.38 -7.4 59.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 15.0 111.51 -173.594 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.5 t70 66.2 105.2 0.03 OUTLIER Pre-proline 0 N--CA 1.469 0.478 0 O-C-N 123.983 0.802 . . . . 15.0 110.707 -179.21 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo . . . . . 0 C--N 1.341 0.177 0 C-N-CA 122.149 1.9 . . . . 15.0 113.023 -177.574 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 114' ' ' PRO . . . . . 0.445 ' HA ' ' HD3' ' B' ' 115' ' ' PRO . 8.1 Cg_endo . . . . . 0 C--O 1.231 0.165 0 CA-C-O 121.181 0.409 . . . . 15.0 112.961 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 115' ' ' PRO . . . . . 0.712 ' HD2' HG21 ' A' ' 37' ' ' THR . 4.0 Cg_exo -77.21 135.64 15.37 Favored 'Trans proline' 0 N--CA 1.459 -0.546 0 C-N-CA 123.415 2.743 . . . . 15.0 111.348 178.177 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -57.98 120.23 8.17 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.324 -0.621 . . . . 15.0 109.324 177.132 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 117' ' ' TYR . . . . . 0.964 ' HE2' ' HB ' ' A' ' 30' ' ' ILE . 49.9 t80 -84.97 124.99 32.31 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 112.987 0.736 . . . . 15.0 112.987 -168.022 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 118' ' ' MET . . . . . . . . . . . . . 52.1 tpp -164.2 99.71 0.84 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 114.822 -1.081 . . . . 15.0 108.357 164.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 119' ' ' GLU . . . . . 0.447 ' HG3' ' O ' ' B' ' 119' ' ' GLU . 4.5 tp10 -130.08 20.09 5.4 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.491 -0.777 . . . . 15.0 109.372 -173.14 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.982 0 CA-C-N 115.327 -0.851 . . . . 15.0 110.254 -173.519 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 1.088 ' HG2' ' HB2' ' A' ' 42' ' ' PRO . 67.8 Cg_exo . . . . . 0 N--CA 1.475 0.433 0 N-CA-C 114.247 0.826 . . . . 15.0 114.247 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 36.1 ttmt -60.59 116.23 4.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.207 -0.906 . . . . 15.0 110.203 174.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 118.41 -19.37 10.73 Favored Glycine 0 N--CA 1.448 -0.511 0 N-CA-C 111.311 -0.716 . . . . 15.0 111.311 -177.563 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.544 ' CZ3' HG21 ' A' ' 38' ' ' THR . 68.8 m95 -100.87 127.54 47.29 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.227 0.537 . . . . 15.0 110.127 177.46 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.544 ' HB2' HG13 ' A' ' 30' ' ' ILE . 71.0 mm-40 -96.82 149.94 21.29 Favored 'General case' 0 C--N 1.311 -1.092 0 CA-C-N 115.42 -0.809 . . . . 15.0 109.584 176.773 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 13.9 p -101.38 114.16 39.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-O 121.591 0.71 . . . . 15.0 110.371 177.41 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.654 ' HD2' ' HZ ' ' A' ' 28' ' ' PHE . 12.9 ttm180 -118.6 141.48 48.55 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 108.623 -0.881 . . . . 15.0 108.623 178.195 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 6.7 t-80 -108.42 123.78 49.39 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 120.524 -0.47 . . . . 15.0 111.166 -174.613 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.451 ' HB1' ' HD2' ' A' ' 23' ' ' PRO . . . -86.76 177.11 2.99 Favored Pre-proline 0 C--N 1.323 -0.561 0 CA-C-N 115.612 -0.722 . . . . 15.0 109.818 176.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.451 ' HD2' ' HB1' ' A' ' 22' ' ' ALA . 32.3 Cg_exo -60.79 -18.91 58.98 Favored 'Trans proline' 0 C--N 1.354 0.856 0 C-N-CA 122.387 2.058 . . . . 15.0 111.613 169.594 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -62.55 137.33 58.24 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.255 -0.884 . . . . 15.0 109.152 170.178 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.13 55.27 0.82 Allowed Glycine 0 C--N 1.331 0.283 0 N-CA-C 110.984 -0.846 . . . . 15.0 110.984 174.158 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.476 ' NH2' ' HE2' ' A' ' 29' ' ' PHE . 31.0 tpt180 -163.82 132.96 2.94 Favored Pre-proline 0 N--CA 1.44 -0.948 0 CA-C-N 114.493 -0.854 . . . . 15.0 109.177 -170.048 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.457 ' HD2' ' HD2' ' A' ' 26' ' ' ARG . 1.7 Cg_endo -89.48 127.1 1.63 Allowed 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 122.251 1.967 . . . . 15.0 111.672 171.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.654 ' HZ ' ' HD2' ' A' ' 20' ' ' ARG . 38.1 p90 -93.98 138.59 31.91 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.112 0.482 . . . . 15.0 109.748 178.369 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.476 ' HE2' ' NH2' ' A' ' 26' ' ' ARG . 82.3 m-85 -90.23 140.4 29.71 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.702 -0.681 . . . . 15.0 110.186 -174.037 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.544 HG13 ' HB2' ' A' ' 18' ' ' GLU . 17.9 pt -135.67 123.5 36.74 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.768 0 N-CA-C 114.651 1.352 . . . . 15.0 114.651 -175.685 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.536 ' HB2' ' CE2' ' A' ' 17' ' ' TRP . 15.7 t70 -89.92 122.91 33.39 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.472 -0.785 . . . . 15.0 110.234 178.551 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 -90.47 -1.0 57.88 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.993 -0.549 . . . . 15.0 111.62 -176.325 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 45.9 m-80 -83.31 -50.07 8.74 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.831 0.348 . . . . 15.0 111.078 -176.377 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 14.8 t -118.96 5.91 11.37 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.988 0.423 . . . . 15.0 110.599 -179.226 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.41 ' HE3' ' O ' ' B' ' 119' ' ' GLU . 60.5 mmtt 58.6 83.14 0.13 Allowed 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 115.333 -0.848 . . . . 15.0 111.59 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 10.1 t -150.07 150.07 31.2 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.947 -0.57 . . . . 15.0 109.724 176.038 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.9 t -129.69 149.99 51.2 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.823 0.344 . . . . 15.0 110.886 -175.495 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.544 HG21 ' CZ3' ' A' ' 17' ' ' TRP . 7.2 t -144.46 145.72 32.04 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.241 -0.436 . . . . 15.0 111.054 -179.133 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.422 ' HE3' ' CG ' ' A' ' 26' ' ' ARG . 96.5 m95 -94.06 -4.12 50.01 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 109.306 -0.627 . . . . 15.0 109.306 173.383 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -101.8 119.84 39.42 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.902 -0.59 . . . . 15.0 109.545 175.26 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -49.9 114.3 4.13 Favored Pre-proline 0 C--N 1.329 -0.322 0 O-C-N 123.834 0.709 . . . . 15.0 111.365 -177.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 1.088 ' HB2' ' HG2' ' A' ' 14' ' ' PRO . 23.2 Cg_exo . . . . . 0 CA--C 1.537 0.652 0 C-N-CA 122.114 1.876 . . . . 15.0 113.906 -178.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 114' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo . . . . . 0 C--O 1.234 0.325 0 CA-C-O 120.731 0.221 . . . . 15.0 111.627 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 115' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.17 143.64 54.38 Favored 'Trans proline' 0 C--O 1.233 0.249 0 C-N-CA 122.88 2.387 . . . . 15.0 111.79 177.383 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 116' ' ' GLU . . . . . 0.408 ' H ' ' CD ' ' B' ' 116' ' ' GLU . 0.6 OUTLIER -58.5 125.4 23.19 Favored 'General case' 0 C--O 1.234 0.249 0 N-CA-C 109.195 -0.668 . . . . 15.0 109.195 177.708 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 117' ' ' TYR . . . . . 0.571 ' HD1' ' N ' ' B' ' 118' ' ' MET . 0.3 OUTLIER -108.96 123.67 49.47 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 112.282 0.475 . . . . 15.0 112.282 -168.215 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 118' ' ' MET . . . . . 0.571 ' N ' ' HD1' ' B' ' 117' ' ' TYR . 19.0 ptm -179.52 105.96 0.03 OUTLIER 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.283 -0.871 . . . . 15.0 110.253 167.809 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 119' ' ' GLU . . . . . 0.527 ' HG2' ' N ' ' B' ' 120' ' ' ALA . 0.0 OUTLIER -139.83 -170.11 2.87 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.991 -0.284 . . . . 15.0 110.521 175.522 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 120' ' ' ALA . . . . . 0.527 ' N ' ' HG2' ' B' ' 119' ' ' GLU . . . . . . . . 0 C--O 1.251 1.144 0 CA-C-O 118.682 -0.675 . . . . 15.0 110.272 177.631 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo . . . . . 0 CA--C 1.532 0.377 0 N-CA-C 113.104 0.386 . . . . 15.0 113.104 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.2 ptpm? -72.48 1.96 7.12 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.285 0.476 . . . . 15.0 112.285 -174.28 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -105.49 -8.03 36.01 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.67 -0.776 . . . . 15.0 112.38 178.421 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.677 ' CE2' ' HB2' ' A' ' 31' ' ' ASP . 74.1 m95 -110.82 124.88 52.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.451 0.643 . . . . 15.0 111.407 -176.412 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.681 ' HB2' HG13 ' A' ' 30' ' ' ILE . 33.9 mm-40 -91.76 144.73 25.21 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 114.981 -1.009 . . . . 15.0 109.491 175.38 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 21.3 t -104.88 104.6 17.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 120.95 0.405 . . . . 15.0 109.958 176.336 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.4 ttp85 -114.38 126.77 55.36 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.171 -0.468 . . . . 15.0 110.228 -178.425 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.66 ' HA ' ' HA ' ' A' ' 27' ' ' PRO . 29.0 t-80 -89.88 122.15 32.66 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.985 0.422 . . . . 15.0 110.805 -173.432 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.48 ' C ' ' H ' ' A' ' 24' ' ' ASN . . . -94.15 159.97 33.08 Favored Pre-proline 0 C--N 1.322 -0.606 0 CA-C-N 115.875 -0.602 . . . . 15.0 110.423 179.304 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_exo -67.72 12.0 0.22 Allowed 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 123.14 2.56 . . . . 15.0 112.419 176.135 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.482 ' N ' HD21 ' A' ' 24' ' ' ASN . 0.8 OUTLIER -84.0 6.57 21.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.025 -0.534 . . . . 15.0 110.371 177.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 64.73 28.82 73.84 Favored Glycine 0 N--CA 1.447 -0.598 0 N-CA-C 109.424 -1.471 . . . . 15.0 109.424 -168.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.559 ' HG2' ' CE3' ' A' ' 39' ' ' TRP . 8.2 tpt180 -147.73 130.61 7.94 Favored Pre-proline 0 N--CA 1.445 -0.701 0 CA-C-N 114.515 -0.843 . . . . 15.0 111.063 -167.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.66 ' HA ' ' HA ' ' A' ' 21' ' ' HIS . 18.7 Cg_endo -89.87 128.7 1.66 Allowed 'Trans proline' 0 N--CA 1.451 -0.974 0 C-N-CA 122.829 2.353 . . . . 15.0 111.228 169.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.462 ' HD1' HG23 ' A' ' 30' ' ' ILE . 20.7 p90 -101.21 138.81 37.75 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.69 -0.485 . . . . 15.0 109.69 176.741 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.413 ' HB2' HG22 ' A' ' 38' ' ' THR . 97.8 m-85 -90.31 136.53 33.0 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.989 -0.551 . . . . 15.0 109.647 179.84 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.681 HG13 ' HB2' ' A' ' 18' ' ' GLU . 6.0 pt -135.32 123.02 37.53 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.564 0 N-CA-C 114.794 1.405 . . . . 15.0 114.794 -174.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.677 ' HB2' ' CE2' ' A' ' 17' ' ' TRP . 9.6 t70 -89.98 122.95 33.47 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-N 114.919 -1.037 . . . . 15.0 110.61 179.477 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.528 ' CE1' ' HG3' ' B' ' 119' ' ' GLU . 21.9 m-70 -93.02 7.59 43.46 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.119 -0.491 . . . . 15.0 111.693 -178.077 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 45.2 m-80 -90.17 -37.82 13.91 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.925 0.393 . . . . 15.0 110.697 178.65 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -126.52 6.03 6.88 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.391 -0.368 . . . . 15.0 111.763 -176.592 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 62.3 mttp 50.07 68.96 0.67 Allowed 'General case' 0 CA--C 1.532 0.288 0 CA-C-O 121.812 0.815 . . . . 15.0 111.216 -173.54 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 26.5 m -137.42 142.92 41.65 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.083 -0.962 . . . . 15.0 109.348 179.347 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.0 t -124.65 149.98 46.55 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.825 0.345 . . . . 15.0 111.604 -175.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.669 HG23 ' CZ3' ' A' ' 17' ' ' TRP . 5.8 t -140.19 142.19 35.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.946 -0.57 . . . . 15.0 109.949 176.423 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.559 ' CE3' ' HG2' ' A' ' 26' ' ' ARG . 83.8 m95 -89.43 -4.62 57.92 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 120.95 0.405 . . . . 15.0 110.16 179.566 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -123.37 135.45 54.16 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.785 -0.643 . . . . 15.0 110.034 178.403 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.415 ' HA ' ' HD2' ' A' ' 42' ' ' PRO . 10.1 t70 -49.25 121.21 10.88 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-N 115.093 -0.958 . . . . 15.0 113.03 -170.044 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.415 ' HD2' ' HA ' ' A' ' 41' ' ' ASP . 26.4 Cg_endo . . . . . 0 C--N 1.349 0.586 0 C-N-CA 123.941 3.094 . . . . 15.0 115.488 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 114' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo . . . . . 0 C--O 1.232 0.222 0 CA-C-O 120.894 0.289 . . . . 15.0 112.465 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 115' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -73.97 128.61 12.48 Favored 'Trans proline' 0 N--CA 1.458 -0.559 0 C-N-CA 122.372 2.048 . . . . 15.0 110.686 176.649 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -60.67 119.98 9.16 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.435 0.636 . . . . 15.0 109.597 179.13 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 117' ' ' TYR . . . . . 0.521 ' CE2' ' HB ' ' A' ' 30' ' ' ILE . 0.3 OUTLIER -83.95 120.19 25.8 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.437 -0.801 . . . . 15.0 111.935 -168.468 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 118' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -168.42 105.07 0.45 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.195 -0.911 . . . . 15.0 108.828 167.379 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 119' ' ' GLU . . . . . 0.528 ' HG3' ' CE1' ' A' ' 32' ' ' HIS . 5.6 pt-20 -149.99 116.04 5.67 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 115.026 -0.988 . . . . 15.0 109.229 178.246 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.244 0.798 0 CA-C-O 118.355 -0.831 . . . . 15.0 110.396 -174.406 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.785 ' HG2' ' HG2' ' A' ' 42' ' ' PRO . 89.6 Cg_exo . . . . . 0 CA--C 1.517 -0.326 0 CA-C-O 119.499 -0.292 . . . . 15.0 112.576 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 60.9 mtpt 38.79 -90.79 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.517 0 O-C-N 124.474 1.109 . . . . 15.0 113.4 170.137 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -136.77 57.16 0.68 Allowed Glycine 0 N--CA 1.444 -0.791 0 C-N-CA 120.753 -0.737 . . . . 15.0 113.136 -177.022 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.561 ' CD1' ' HB2' ' A' ' 14' ' ' PRO . 74.7 m95 -108.82 127.18 53.8 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.5 0.666 . . . . 15.0 111.142 178.047 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.537 ' HB2' HG13 ' A' ' 30' ' ' ILE . 6.5 mm-40 -96.07 147.62 23.53 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 114.702 -1.135 . . . . 15.0 109.575 175.053 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 23.6 t -98.71 99.1 8.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 N-CA-C 109.757 -0.46 . . . . 15.0 109.757 178.141 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.9 tpp180 -104.53 125.38 50.64 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.411 -0.588 . . . . 15.0 109.411 -178.005 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.684 ' HA ' ' HA ' ' A' ' 27' ' ' PRO . 27.1 t-80 -89.77 126.61 35.74 Favored 'General case' 0 C--N 1.322 -0.595 0 O-C-N 122.017 -0.427 . . . . 15.0 111.112 -175.872 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.453 ' C ' ' H ' ' A' ' 24' ' ' ASN . . . -101.31 162.31 20.91 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-N 116.19 -0.459 . . . . 15.0 110.141 177.668 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_exo -65.23 6.27 0.41 Allowed 'Trans proline' 0 C--N 1.35 0.65 0 C-N-CA 123.244 2.629 . . . . 15.0 112.722 176.5 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.453 ' H ' ' C ' ' A' ' 22' ' ' ALA . 2.4 t-20 -77.36 5.54 8.5 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.596 -0.729 . . . . 15.0 110.435 178.27 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 64.31 22.45 67.36 Favored Glycine 0 CA--C 1.505 -0.555 0 N-CA-C 109.56 -1.416 . . . . 15.0 109.56 -171.094 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.513 ' HG2' ' HE3' ' A' ' 39' ' ' TRP . 28.8 ttp180 -145.17 135.69 12.08 Favored Pre-proline 0 N--CA 1.44 -0.929 0 CA-C-N 114.292 -0.954 . . . . 15.0 110.182 -170.812 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.684 ' HA ' ' HA ' ' A' ' 21' ' ' HIS . 12.2 Cg_endo -89.52 120.24 0.96 Allowed 'Trans proline' 0 N--CA 1.447 -1.207 0 C-N-CA 122.341 2.028 . . . . 15.0 111.635 170.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 27.7 p90 -90.07 139.47 30.59 Favored 'General case' 0 N--CA 1.446 -0.657 0 N-CA-C 108.878 -0.786 . . . . 15.0 108.878 177.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.477 ' HB2' ' OG1' ' A' ' 38' ' ' THR . 97.6 m-85 -89.99 138.74 31.25 Favored 'General case' 0 CA--C 1.502 -0.877 0 CA-C-N 116.265 -0.425 . . . . 15.0 110.748 -175.501 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.698 ' HB ' ' CE2' ' B' ' 117' ' ' TYR . 13.6 pt -133.49 124.22 47.94 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.913 0 N-CA-C 114.687 1.366 . . . . 15.0 114.687 -173.521 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.559 ' HB2' ' CE2' ' A' ' 17' ' ' TRP . 19.9 t70 -89.89 120.95 31.56 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 114.515 -1.221 . . . . 15.0 109.303 176.26 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 21.0 m-70 -83.4 -5.0 59.01 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.369 -0.378 . . . . 15.0 111.698 -175.778 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 39.6 m-80 -82.01 -57.61 3.33 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.095 0.474 . . . . 15.0 110.648 -178.074 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.0 m -105.43 1.01 27.35 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.996 -0.547 . . . . 15.0 110.958 -175.093 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 54.53 88.59 0.04 OUTLIER 'General case' 0 CA--C 1.535 0.392 0 CA-C-O 121.207 0.527 . . . . 15.0 111.075 -172.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 16.2 m -143.53 140.7 30.4 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 116.261 -0.427 . . . . 15.0 110.896 178.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.643 HG22 HG23 ' A' ' 30' ' ' ILE . 13.6 p -112.23 128.33 56.22 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 120.888 0.375 . . . . 15.0 111.731 -178.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.477 ' OG1' ' HB2' ' A' ' 29' ' ' PHE . 76.6 p -126.44 121.52 32.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.796 0.332 . . . . 15.0 111.791 177.817 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.513 ' HE3' ' HG2' ' A' ' 26' ' ' ARG . 98.6 m95 -72.7 -14.9 61.67 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.172 0.511 . . . . 15.0 109.944 175.434 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -103.34 147.07 27.54 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.54 -0.755 . . . . 15.0 109.71 174.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -65.23 121.55 75.1 Favored Pre-proline 0 C--N 1.326 -0.452 0 CA-C-N 116.229 -0.441 . . . . 15.0 110.408 -178.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.785 ' HG2' ' HG2' ' A' ' 14' ' ' PRO . 18.9 Cg_endo . . . . . 0 C--N 1.346 0.432 0 C-N-CA 123.488 2.792 . . . . 15.0 113.844 -178.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 114' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo . . . . . 0 C--O 1.235 0.332 0 CA-C-O 120.781 0.242 . . . . 15.0 111.54 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 115' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_exo -62.03 135.13 53.28 Favored 'Trans proline' 0 N--CA 1.461 -0.42 0 C-N-CA 122.68 2.253 . . . . 15.0 112.507 -177.397 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 116' ' ' GLU . . . . . 0.409 ' H ' ' HG2' ' B' ' 116' ' ' GLU . 4.6 pt-20 -65.25 119.96 11.87 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.367 -0.833 . . . . 15.0 109.907 176.32 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 117' ' ' TYR . . . . . 0.821 ' HE1' ' HB2' ' B' ' 119' ' ' GLU . 0.5 OUTLIER -102.08 124.52 47.83 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.874 -0.603 . . . . 15.0 111.607 -169.211 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 118' ' ' MET . . . . . 0.616 ' N ' ' HD1' ' B' ' 117' ' ' TYR . 22.3 ptt? -153.62 98.85 2.26 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.608 0.718 . . . . 15.0 110.054 165.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 119' ' ' GLU . . . . . 0.821 ' HB2' ' HE1' ' B' ' 117' ' ' TYR . 47.2 mt-10 -136.45 132.44 35.4 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.204 -0.907 . . . . 15.0 109.383 178.03 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.072 0 O-C-N 124.154 0.909 . . . . 15.0 110.585 -177.763 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.637 ' HB2' ' CD1' ' A' ' 17' ' ' TRP . 66.0 Cg_exo . . . . . 0 CA--C 1.539 0.762 0 N-CA-C 114.624 0.971 . . . . 15.0 114.624 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 54.6 mttp 73.09 115.99 0.05 Allowed 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 123.589 0.755 . . . . 15.0 111.739 176.415 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 100.3 -3.96 56.84 Favored Glycine 0 N--CA 1.446 -0.698 0 CA-C-N 115.112 -0.949 . . . . 15.0 111.051 -176.421 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.637 ' CD1' ' HB2' ' A' ' 14' ' ' PRO . 80.4 m95 -109.26 121.95 46.28 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.047 0.451 . . . . 15.0 110.713 -179.011 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.586 ' HB2' HG13 ' A' ' 30' ' ' ILE . 17.8 mm-40 -89.85 149.89 22.46 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.32 -0.855 . . . . 15.0 108.851 173.356 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 13.5 p -103.4 119.63 52.21 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 CA-C-O 121.267 0.556 . . . . 15.0 109.714 173.448 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.507 ' HD2' ' HZ ' ' A' ' 28' ' ' PHE . 43.6 ttm-85 -121.43 128.82 52.55 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.882 0.372 . . . . 15.0 110.016 179.566 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -95.28 122.25 37.79 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.048 -0.524 . . . . 15.0 110.344 -178.505 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.427 ' HB1' ' OD1' ' A' ' 24' ' ' ASN . . . -102.59 168.66 8.57 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 116.231 -0.44 . . . . 15.0 110.25 179.352 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_exo -64.98 2.08 1.55 Allowed 'Trans proline' 0 C--N 1.353 0.809 0 C-N-CA 123.105 2.536 . . . . 15.0 113.05 178.213 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.427 ' OD1' ' HB1' ' A' ' 22' ' ' ALA . 6.2 p30 -80.6 1.36 30.09 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.314 -0.403 . . . . 15.0 110.818 175.107 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.31 18.52 69.53 Favored Glycine 0 C--N 1.334 0.461 0 N-CA-C 110.237 -1.145 . . . . 15.0 110.237 -176.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.651 ' HG2' ' CE3' ' A' ' 39' ' ' TRP . 5.2 tpt180 -124.99 131.72 24.16 Favored Pre-proline 0 N--CA 1.441 -0.916 0 CA-C-N 114.197 -1.001 . . . . 15.0 110.416 -171.254 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_endo -89.76 113.9 0.56 Allowed 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 122.39 2.06 . . . . 15.0 111.428 170.708 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.507 ' HB3' ' CZ3' ' A' ' 39' ' ' TRP . 31.6 p90 -96.73 139.66 32.46 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.747 -0.464 . . . . 15.0 109.747 179.198 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -89.72 137.98 31.87 Favored 'General case' 0 CA--C 1.508 -0.652 0 CA-C-N 115.795 -0.639 . . . . 15.0 109.945 -175.22 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.615 ' O ' ' HA ' ' A' ' 17' ' ' TRP . 3.4 pt -136.0 119.37 23.39 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.691 0 N-CA-C 114.447 1.277 . . . . 15.0 114.447 -174.707 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.45 ' OD2' ' HB ' ' A' ' 34' ' ' THR . 0.0 OUTLIER -91.29 127.79 36.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 114.657 -1.156 . . . . 15.0 110.621 179.778 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 24.6 m-70 -94.61 -7.7 40.22 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 112.861 0.689 . . . . 15.0 112.861 -174.494 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -98.59 -17.12 18.82 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.228 -0.589 . . . . 15.0 111.027 -175.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.45 ' HB ' ' OD2' ' A' ' 31' ' ' ASP . 2.1 m -124.96 -5.71 7.38 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.356 -0.383 . . . . 15.0 110.907 176.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 48.3 mmtm 59.03 51.93 6.74 Favored 'General case' 0 N--CA 1.464 0.226 0 C-N-CA 123.056 0.543 . . . . 15.0 111.071 -179.168 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 27.3 m -126.13 140.98 52.13 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.893 0.378 . . . . 15.0 111.253 179.417 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 11.3 t -116.94 150.15 38.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 15.0 110.454 179.652 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.517 HG21 ' HG3' ' A' ' 42' ' ' PRO . 13.3 t -147.52 144.14 28.32 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.224 -0.444 . . . . 15.0 110.506 -177.763 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.651 ' CE3' ' HG2' ' A' ' 26' ' ' ARG . 55.7 m95 -99.72 -10.57 21.74 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.662 0.744 . . . . 15.0 109.398 178.34 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -101.09 120.16 39.81 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.303 -0.862 . . . . 15.0 109.378 171.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -47.15 120.5 6.72 Favored Pre-proline 0 N--CA 1.469 0.52 0 CA-C-N 115.832 -0.622 . . . . 15.0 111.194 -175.187 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.517 ' HG3' HG21 ' A' ' 38' ' ' THR . 33.8 Cg_exo . . . . . 0 C--N 1.345 0.374 0 C-N-CA 122.549 2.166 . . . . 15.0 113.48 -178.697 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 114' ' ' PRO . . . . . 0.468 ' HA ' ' HD3' ' B' ' 115' ' ' PRO . 32.9 Cg_exo . . . . . 0 C--O 1.232 0.218 0 CA-C-O 120.585 0.16 . . . . 15.0 112.089 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 115' ' ' PRO . . . . . 0.62 ' HD3' ' CZ2' ' A' ' 39' ' ' TRP . 10.3 Cg_exo -72.12 136.4 26.92 Favored 'Trans proline' 0 N--CA 1.463 -0.266 0 C-N-CA 123.067 2.511 . . . . 15.0 112.486 -177.77 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -58.02 119.95 7.69 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.657 -0.702 . . . . 15.0 109.786 175.579 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 117' ' ' TYR . . . . . 0.489 ' HD1' ' N ' ' B' ' 118' ' ' MET . 0.3 OUTLIER -97.01 123.8 40.82 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.335 -0.546 . . . . 15.0 111.846 -172.694 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 118' ' ' MET . . . . . 0.489 ' N ' ' HD1' ' B' ' 117' ' ' TYR . 19.9 ptm -171.5 59.53 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.236 -0.893 . . . . 15.0 109.718 167.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 119' ' ' GLU . . . . . 0.466 ' OE1' HD11 ' A' ' 30' ' ' ILE . 53.4 mt-10 -84.2 113.46 21.1 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.244 -0.889 . . . . 15.0 110.098 179.359 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.969 0 O-C-N 124.08 0.863 . . . . 15.0 112.01 175.825 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.574 ' HB2' ' CD1' ' A' ' 17' ' ' TRP . 6.0 Cg_exo . . . . . 0 CA--C 1.532 0.386 0 N-CA-C 114.067 0.757 . . . . 15.0 114.067 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.504 ' H ' ' HD1' ' A' ' 17' ' ' TRP . 20.7 pttp 178.56 102.46 0.02 OUTLIER 'General case' 0 C--N 1.334 -0.066 0 CA-C-O 121.603 0.716 . . . . 15.0 110.203 -176.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 68.93 18.19 72.35 Favored Glycine 0 C--N 1.311 -0.826 0 C-N-CA 120.383 -0.913 . . . . 15.0 113.379 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.608 ' HA ' ' O ' ' A' ' 30' ' ' ILE . 81.2 m95 -95.97 131.62 42.15 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.861 -0.422 . . . . 15.0 109.861 178.573 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.565 ' O ' HG12 ' A' ' 30' ' ' ILE . 15.2 tp10 -105.81 141.96 36.35 Favored 'General case' 0 C--N 1.315 -0.896 0 N-CA-C 108.661 -0.866 . . . . 15.0 108.661 176.35 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 4.2 m -101.57 98.94 7.46 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-O 121.404 0.621 . . . . 15.0 111.164 179.647 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.67 ' HD2' ' HZ ' ' A' ' 28' ' ' PHE . 21.6 ttm180 -92.24 119.08 31.51 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.588 -0.893 . . . . 15.0 108.588 176.722 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 7.9 t-80 -89.97 115.42 27.25 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.024 0.44 . . . . 15.0 110.953 -173.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.423 ' HB3' ' HD2' ' A' ' 23' ' ' PRO . . . -77.16 176.24 3.69 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-N 115.574 -0.739 . . . . 15.0 109.736 175.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.423 ' HD2' ' HB3' ' A' ' 22' ' ' ALA . 32.1 Cg_exo -60.57 -18.56 55.29 Favored 'Trans proline' 0 C--N 1.353 0.777 0 C-N-CA 122.208 1.939 . . . . 15.0 111.755 173.017 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.439 ' C ' ' H ' ' A' ' 26' ' ' ARG . 14.7 m120 -63.92 146.61 53.72 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.202 -0.908 . . . . 15.0 110.015 172.186 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -71.73 48.18 1.01 Allowed Glycine 0 CA--C 1.518 0.223 0 N-CA-C 110.388 -1.085 . . . . 15.0 110.388 169.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.477 ' CG ' ' HE3' ' A' ' 39' ' ' TRP . 11.8 tpt180 -154.02 122.68 3.08 Favored Pre-proline 0 N--CA 1.44 -0.951 0 CA-C-N 114.577 -0.811 . . . . 15.0 109.808 -169.654 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 8.4 Cg_endo -89.71 125.57 1.39 Allowed 'Trans proline' 0 N--CA 1.45 -1.086 0 C-N-CA 122.406 2.071 . . . . 15.0 111.108 171.562 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.67 ' HZ ' ' HD2' ' A' ' 20' ' ' ARG . 52.5 p90 -90.03 135.24 33.77 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.106 -0.702 . . . . 15.0 109.106 176.605 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -89.77 134.9 33.94 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.622 -0.717 . . . . 15.0 110.387 -171.761 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.864 ' HB ' ' CE2' ' B' ' 117' ' ' TYR . 12.5 pt -130.85 125.65 58.61 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.592 0 N-CA-C 113.689 0.996 . . . . 15.0 113.689 -178.167 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.453 ' HB2' ' CE2' ' A' ' 17' ' ' TRP . 5.8 t70 -89.83 118.53 29.48 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 114.795 -1.093 . . . . 15.0 110.81 -177.784 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 24.9 m-70 -89.93 14.96 10.81 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.704 -0.68 . . . . 15.0 111.068 -178.138 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 46.9 m-80 -96.39 -39.48 9.58 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.672 0.272 . . . . 15.0 110.889 -179.147 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.9 t -142.62 28.05 1.64 Allowed 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 112.257 0.466 . . . . 15.0 112.257 -177.347 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.421 ' HE2' ' HA ' ' B' ' 118' ' ' MET . 2.6 mmmm 51.66 72.63 0.36 Allowed 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 122.482 0.313 . . . . 15.0 111.162 177.253 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 26.7 m -145.45 140.18 27.4 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 110.294 -0.261 . . . . 15.0 110.294 179.453 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.2 t -130.64 148.39 52.43 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.866 0.365 . . . . 15.0 111.363 -177.043 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 8.2 t -149.89 150.03 31.31 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 115.975 -0.557 . . . . 15.0 110.56 176.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.477 ' HE3' ' CG ' ' A' ' 26' ' ' ARG . 86.4 m95 -87.38 -13.07 44.43 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.861 0.363 . . . . 15.0 110.091 177.152 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -90.04 126.0 35.61 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.872 -0.604 . . . . 15.0 109.697 179.389 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -58.93 115.23 11.13 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 123.456 0.472 . . . . 15.0 110.355 -178.431 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.45 ' HB2' ' HG3' ' A' ' 14' ' ' PRO . 32.0 Cg_exo . . . . . 0 CA--C 1.533 0.439 0 C-N-CA 123.035 2.49 . . . . 15.0 113.756 -178.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 114' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo . . . . . 0 N--CA 1.46 -0.48 0 CA-C-O 120.686 0.202 . . . . 15.0 112.127 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 115' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -60.29 135.61 62.9 Favored 'Trans proline' 0 C--O 1.233 0.226 0 C-N-CA 122.917 2.411 . . . . 15.0 111.929 176.662 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.09 120.06 8.46 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 121.269 0.556 . . . . 15.0 110.322 177.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 117' ' ' TYR . . . . . 0.864 ' CE2' ' HB ' ' A' ' 30' ' ' ILE . 1.5 t80 -85.11 121.44 27.88 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.139 -0.482 . . . . 15.0 112.117 -170.414 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 118' ' ' MET . . . . . 0.421 ' HA ' ' HE2' ' A' ' 35' ' ' LYS . 51.8 ttm -175.42 108.34 0.1 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.04 -0.982 . . . . 15.0 108.866 169.571 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -119.35 128.67 54.31 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.595 0.236 . . . . 15.0 110.56 -176.602 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.975 0 CA-C-O 118.447 -0.787 . . . . 15.0 110.458 179.582 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.995 ' HG2' ' HB2' ' A' ' 42' ' ' PRO . 0.3 OUTLIER . . . . . 0 CA--C 1.53 0.282 0 N-CA-C 114.143 0.786 . . . . 15.0 114.143 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt -48.05 111.69 0.47 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.317 -0.856 . . . . 15.0 111.286 179.114 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 115.26 -24.67 10.41 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.797 -0.716 . . . . 15.0 112.566 179.397 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.602 ' CE2' ' HB2' ' A' ' 31' ' ' ASP . 85.4 m95 -96.34 130.6 43.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.456 0.646 . . . . 15.0 111.37 -176.533 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -113.06 150.13 32.45 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 114.858 -1.065 . . . . 15.0 109.035 176.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 7.1 p -94.14 112.01 26.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 121.608 0.718 . . . . 15.0 111.052 179.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 21.9 tpp180 -111.15 120.58 42.77 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.304 -0.628 . . . . 15.0 109.304 177.442 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 15.3 t-80 -93.68 114.59 26.93 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 120.56 -0.456 . . . . 15.0 110.752 -176.351 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.412 ' HB1' ' HD2' ' A' ' 23' ' ' PRO . . . -75.72 175.14 4.47 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 115.862 -0.608 . . . . 15.0 110.147 177.177 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.412 ' HD2' ' HB1' ' A' ' 22' ' ' ALA . 36.4 Cg_exo -61.0 -19.91 65.19 Favored 'Trans proline' 0 C--N 1.353 0.763 0 C-N-CA 122.053 1.835 . . . . 15.0 110.801 169.314 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.495 HD21 ' N ' ' A' ' 25' ' ' GLY . 0.2 OUTLIER -59.74 139.1 57.53 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 114.68 -1.145 . . . . 15.0 108.96 170.649 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.495 ' N ' HD21 ' A' ' 24' ' ' ASN . . . -71.37 48.69 0.94 Allowed Glycine 0 C--N 1.33 0.241 0 N-CA-C 110.342 -1.103 . . . . 15.0 110.342 170.308 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.765 ' HG2' ' HE3' ' A' ' 39' ' ' TRP . 52.5 ttp180 -160.18 122.13 1.8 Allowed Pre-proline 0 N--CA 1.439 -0.99 0 N-CA-C 107.807 -1.183 . . . . 15.0 107.807 -171.112 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -89.66 127.19 1.58 Allowed 'Trans proline' 0 N--CA 1.449 -1.122 0 C-N-CA 121.55 1.5 . . . . 15.0 111.337 177.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 34.5 p90 -89.96 133.47 34.77 Favored 'General case' 0 N--CA 1.443 -0.793 0 N-CA-C 108.969 -0.752 . . . . 15.0 108.969 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -89.66 137.5 32.28 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 115.219 -0.9 . . . . 15.0 109.553 -172.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 1.113 ' HB ' ' HE2' ' B' ' 117' ' ' TYR . 21.6 pt -135.24 124.23 41.18 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.69 0 N-CA-C 115.197 1.555 . . . . 15.0 115.197 -172.638 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.602 ' HB2' ' CE2' ' A' ' 17' ' ' TRP . 10.6 t70 -91.05 128.72 36.98 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 114.784 -1.098 . . . . 15.0 110.081 178.2 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 78.0 m-70 -86.17 -20.81 28.05 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 112.475 0.546 . . . . 15.0 112.475 -174.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.3 p30 -95.92 -6.16 39.78 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.252 -0.579 . . . . 15.0 111.186 -170.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.1 m -122.93 -8.88 8.32 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.247 -0.433 . . . . 15.0 111.413 178.645 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.558 ' HA ' ' CD1' ' B' ' 117' ' ' TYR . 49.8 mmtt 52.29 68.32 0.84 Allowed 'General case' 0 CA--C 1.531 0.241 0 CA-C-O 121.04 0.448 . . . . 15.0 110.461 -171.668 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 28.5 m -150.14 150.08 31.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 15.0 110.706 -177.588 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.548 ' HB ' HG22 ' A' ' 30' ' ' ILE . 9.3 t -133.01 150.1 52.18 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-O 120.895 0.379 . . . . 15.0 111.294 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 12.3 t -145.12 150.07 36.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.977 -0.556 . . . . 15.0 110.034 178.389 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.765 ' HE3' ' HG2' ' A' ' 26' ' ' ARG . 90.2 m95 -94.91 -6.94 41.44 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.778 -0.369 . . . . 15.0 111.043 -178.566 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -102.17 130.79 48.91 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.832 -0.432 . . . . 15.0 109.832 175.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -61.1 124.82 81.98 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 115.79 -0.641 . . . . 15.0 112.225 -170.754 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.995 ' HB2' ' HG2' ' A' ' 14' ' ' PRO . 39.0 Cg_exo . . . . . 0 CA--C 1.532 0.39 0 C-N-CA 123.331 2.687 . . . . 15.0 112.858 176.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 114' ' ' PRO . . . . . 0.422 ' HA ' ' HD3' ' B' ' 115' ' ' PRO . 65.5 Cg_exo . . . . . 0 CA--C 1.529 0.243 0 CA-C-O 120.734 0.223 . . . . 15.0 112.115 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 115' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' B' ' 114' ' ' PRO . 34.4 Cg_exo -61.76 139.64 81.52 Favored 'Trans proline' 0 C--O 1.232 0.225 0 C-N-CA 123.117 2.545 . . . . 15.0 112.044 -178.786 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -66.16 138.26 57.58 Favored 'General case' 0 CA--C 1.508 -0.662 0 CA-C-O 121.693 0.759 . . . . 15.0 109.795 176.588 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 117' ' ' TYR . . . . . 1.113 ' HE2' ' HB ' ' A' ' 30' ' ' ILE . 13.2 t80 -109.22 119.8 40.59 Favored 'General case' 0 C--N 1.305 -1.353 0 CA-C-N 114.433 -1.258 . . . . 15.0 112.477 -168.395 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 118' ' ' MET . . . . . . . . . . . . . 61.3 mtt -151.63 89.87 1.52 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.616 -0.72 . . . . 15.0 109.1 168.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -131.08 126.65 36.37 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.054 -0.521 . . . . 15.0 110.368 -179.751 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.002 0 O-C-N 124.04 0.837 . . . . 15.0 110.766 179.786 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.789 ' HG2' ' HG2' ' A' ' 42' ' ' PRO . 28.0 Cg_exo . . . . . 0 CA--C 1.519 -0.274 0 N-CA-C 113.854 0.674 . . . . 15.0 113.854 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 58.9 mtpt 35.87 -90.45 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.436 0 O-C-N 124.492 1.12 . . . . 15.0 113.991 173.316 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -122.64 23.3 7.12 Favored Glycine 0 N--CA 1.442 -0.955 0 C-N-CA 121.037 -0.601 . . . . 15.0 113.331 -172.226 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.548 ' HA ' ' O ' ' A' ' 30' ' ' ILE . 85.5 m95 -89.97 127.43 36.03 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.149 0.5 . . . . 15.0 110.31 179.69 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -106.69 150.01 26.69 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.625 -0.716 . . . . 15.0 109.147 176.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 10.8 p -100.59 112.33 33.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 121.586 0.708 . . . . 15.0 110.608 179.62 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.537 ' HB3' ' CE1' ' A' ' 28' ' ' PHE . 14.0 tpp180 -114.67 122.86 47.77 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.582 -0.525 . . . . 15.0 109.582 179.459 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 8.5 t-80 -94.32 128.76 41.02 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.319 -0.4 . . . . 15.0 110.461 -176.269 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.456 ' HB2' ' ND2' ' A' ' 24' ' ' ASN . . . -115.89 171.8 4.32 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 116.356 -0.384 . . . . 15.0 110.818 -178.118 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_exo -63.96 0.61 1.96 Allowed 'Trans proline' 0 C--N 1.358 1.077 0 C-N-CA 123.284 2.656 . . . . 15.0 113.376 178.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.456 ' ND2' ' HB2' ' A' ' 22' ' ' ALA . 5.1 p30 -76.47 0.26 20.43 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.049 -0.523 . . . . 15.0 110.937 174.746 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 65.21 19.17 65.91 Favored Glycine 0 CA--C 1.504 -0.636 0 N-CA-C 110.031 -1.228 . . . . 15.0 110.031 -176.019 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.598 ' HD2' ' HD2' ' A' ' 27' ' ' PRO . 29.5 tpt180 -131.05 134.4 25.87 Favored Pre-proline 0 N--CA 1.436 -1.137 0 CA-C-N 114.267 -0.967 . . . . 15.0 110.171 -170.607 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.598 ' HD2' ' HD2' ' A' ' 26' ' ' ARG . 6.0 Cg_endo -89.61 115.23 0.63 Allowed 'Trans proline' 0 N--CA 1.448 -1.158 0 C-N-CA 121.852 1.702 . . . . 15.0 110.886 170.07 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.537 ' CE1' ' HB3' ' A' ' 20' ' ' ARG . 5.6 p90 -90.0 142.86 27.3 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 120.309 -0.556 . . . . 15.0 109.608 178.504 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 65.9 m-85 -93.18 129.94 39.03 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.622 -0.717 . . . . 15.0 109.67 -175.721 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 1.073 ' HB ' ' HE2' ' B' ' 117' ' ' TYR . 16.1 pt -133.7 125.91 50.34 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.467 0 N-CA-C 114.177 1.177 . . . . 15.0 114.177 -175.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.494 ' HB2' ' CE2' ' A' ' 17' ' ' TRP . 7.2 t70 -89.95 125.6 35.43 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.032 -0.985 . . . . 15.0 110.423 -179.317 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.408 ' HA ' ' OH ' ' B' ' 117' ' ' TYR . 47.2 m-70 -92.85 11.79 25.89 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.04 -0.527 . . . . 15.0 111.744 -177.091 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 57.2 m-80 -94.59 -43.79 8.14 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 121.076 -0.25 . . . . 15.0 110.915 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 11.0 t -126.51 13.66 7.58 Favored 'General case' 0 CA--C 1.536 0.422 0 N-CA-C 112.561 0.578 . . . . 15.0 112.561 -174.494 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.509 ' HA ' ' CE1' ' B' ' 117' ' ' TYR . 14.3 mptt 58.3 77.1 0.31 Allowed 'General case' 0 N--CA 1.469 0.491 0 CA-C-O 120.671 0.272 . . . . 15.0 111.631 -178.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 40.4 m -150.2 145.26 26.14 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 122.28 -0.263 . . . . 15.0 111.12 178.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.585 ' HB ' HG21 ' A' ' 30' ' ' ILE . 9.0 t -125.69 149.73 48.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.287 -0.415 . . . . 15.0 110.495 178.537 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.501 HG23 ' CZ3' ' A' ' 17' ' ' TRP . 10.1 t -149.86 150.14 31.5 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.062 0.458 . . . . 15.0 111.182 177.552 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.523 ' HZ2' ' HD3' ' B' ' 115' ' ' PRO . 12.2 m95 -105.08 1.57 28.62 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.943 -0.762 . . . . 15.0 108.943 175.693 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -81.26 -19.14 43.71 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.793 -0.64 . . . . 15.0 111.441 -175.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 16.0 t0 68.16 118.08 0.03 OUTLIER Pre-proline 0 N--CA 1.468 0.446 0 O-C-N 124.032 0.832 . . . . 15.0 112.416 -178.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.789 ' HG2' ' HG2' ' A' ' 14' ' ' PRO . 58.3 Cg_endo . . . . . 0 N--CA 1.461 -0.402 0 C-N-CA 122.521 2.147 . . . . 15.0 112.977 176.55 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 114' ' ' PRO . . . . . 0.433 ' HA ' ' HD3' ' B' ' 115' ' ' PRO . 25.3 Cg_exo . . . . . 0 C--O 1.235 0.355 0 CA-C-O 120.884 0.285 . . . . 15.0 112.643 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 115' ' ' PRO . . . . . 0.523 ' HD3' ' HZ2' ' A' ' 39' ' ' TRP . 14.3 Cg_exo -69.26 147.85 67.02 Favored 'Trans proline' 0 C--O 1.233 0.229 0 C-N-CA 123.279 2.653 . . . . 15.0 110.875 177.549 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -67.7 119.9 13.19 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.073 0.463 . . . . 15.0 109.963 -179.66 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 117' ' ' TYR . . . . . 1.073 ' HE2' ' HB ' ' A' ' 30' ' ' ILE . 2.9 t80 -92.7 126.9 37.99 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.88 -0.6 . . . . 15.0 110.436 -175.805 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 118' ' ' MET . . . . . . . . . . . . . 22.6 ptt? -179.59 58.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.588 0.709 . . . . 15.0 111.031 174.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -91.05 -80.91 0.33 Allowed 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 115.315 -0.857 . . . . 15.0 109.151 175.775 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.133 0 CA-C-O 118.3 -0.857 . . . . 15.0 109.703 177.587 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.757 ' HB2' ' CD1' ' A' ' 17' ' ' TRP . 9.2 Cg_endo . . . . . 0 N--CA 1.462 -0.364 0 N-CA-C 110.731 -0.527 . . . . 15.0 110.731 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.7 mmmm -52.84 101.91 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 113.057 0.762 . . . . 15.0 113.057 -172.491 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.09 30.44 42.31 Favored Glycine 0 N--CA 1.45 -0.372 0 CA-C-N 115.729 -0.669 . . . . 15.0 114.582 169.543 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.757 ' CD1' ' HB2' ' A' ' 14' ' ' PRO . 73.4 m95 -105.88 132.94 51.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 117.815 0.807 . . . . 15.0 111.29 177.476 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.581 ' HB2' ' CE1' ' A' ' 32' ' ' HIS . 8.9 tp10 -108.83 149.91 28.41 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.268 -0.878 . . . . 15.0 109.056 175.671 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 6.3 p -102.83 96.59 4.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-O 121.586 0.707 . . . . 15.0 110.283 179.203 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.517 ' HD2' ' CZ ' ' A' ' 28' ' ' PHE . 24.0 ttm180 -95.03 128.61 42.0 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.753 -0.832 . . . . 15.0 108.753 178.356 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 10.0 t-80 -89.9 113.91 25.61 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 120.884 0.373 . . . . 15.0 110.663 -175.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -88.19 157.72 50.43 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-N 115.956 -0.565 . . . . 15.0 110.716 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 21.9 Cg_exo -66.59 3.5 1.41 Allowed 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 123.126 2.55 . . . . 15.0 112.451 176.531 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 56.7 m-80 -77.66 8.52 4.33 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.056 -0.52 . . . . 15.0 110.975 178.487 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 61.31 30.66 74.68 Favored Glycine 0 CA--C 1.504 -0.617 0 N-CA-C 109.514 -1.434 . . . . 15.0 109.514 -169.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.718 ' HG2' ' CE3' ' A' ' 39' ' ' TRP . 17.0 tpt180 -144.41 130.75 9.97 Favored Pre-proline 0 N--CA 1.439 -0.981 0 CA-C-N 114.089 -1.055 . . . . 15.0 110.666 -168.868 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_endo -89.56 122.18 1.13 Allowed 'Trans proline' 0 N--CA 1.455 -0.761 0 C-N-CA 122.65 2.233 . . . . 15.0 111.122 168.576 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.517 ' CZ ' ' HD2' ' A' ' 20' ' ' ARG . 39.3 p90 -101.81 140.14 36.51 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.752 -0.462 . . . . 15.0 109.752 179.557 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -89.91 136.95 32.73 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.833 -0.622 . . . . 15.0 110.391 -174.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.852 ' HB ' ' CE2' ' B' ' 117' ' ' TYR . 27.2 pt -134.45 126.31 48.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 N-CA-C 114.885 1.439 . . . . 15.0 114.885 -175.52 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -90.08 125.01 35.27 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 114.739 -1.119 . . . . 15.0 110.461 175.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.581 ' CE1' ' HB2' ' A' ' 18' ' ' GLU . 22.1 m80 -92.7 -1.23 57.02 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.149 -0.478 . . . . 15.0 111.107 -175.574 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 45.1 m-80 -82.8 -44.14 15.87 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 121.017 -0.273 . . . . 15.0 110.632 -177.641 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 29.4 p -126.32 12.97 7.65 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 111.777 0.288 . . . . 15.0 111.777 -176.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.501 ' HD3' ' HA ' ' B' ' 118' ' ' MET . 37.2 mttm 49.56 78.62 0.09 Allowed 'General case' 0 CA--C 1.531 0.232 0 CA-C-O 121.33 0.586 . . . . 15.0 112.096 -176.382 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.8 t -142.24 149.96 40.31 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.767 -0.651 . . . . 15.0 109.666 176.219 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 11.3 t -137.36 150.03 47.42 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.952 0.406 . . . . 15.0 111.248 -173.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 4.1 t -145.22 146.44 31.72 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.994 -0.548 . . . . 15.0 110.793 179.714 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.718 ' CE3' ' HG2' ' A' ' 26' ' ' ARG . 77.8 m95 -83.77 -32.25 25.51 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 109.883 -0.414 . . . . 15.0 109.883 175.166 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -82.25 139.97 33.92 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 109.245 -0.65 . . . . 15.0 109.245 178.109 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 45.2 t0 -68.15 115.91 33.71 Favored Pre-proline 0 C--N 1.321 -0.648 0 CA-C-N 115.756 -0.656 . . . . 15.0 112.431 -171.497 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.433 ' HG2' ' HG3' ' A' ' 14' ' ' PRO . 72.4 Cg_endo . . . . . 0 C--N 1.347 0.466 0 C-N-CA 123.093 2.529 . . . . 15.0 112.115 176.054 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 114' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_endo . . . . . 0 C--O 1.234 0.276 0 CA-C-O 120.839 0.266 . . . . 15.0 111.88 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 115' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -66.64 134.19 34.45 Favored 'Trans proline' 0 C--O 1.234 0.295 0 C-N-CA 122.758 2.305 . . . . 15.0 112.162 -177.429 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -58.35 119.96 7.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.215 0.531 . . . . 15.0 109.863 176.412 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 117' ' ' TYR . . . . . 0.852 ' CE2' ' HB ' ' A' ' 30' ' ' ILE . 0.3 OUTLIER -89.43 120.66 30.95 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.035 -0.529 . . . . 15.0 111.133 -174.341 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 118' ' ' MET . . . . . 0.501 ' HA ' ' HD3' ' A' ' 35' ' ' LYS . 54.8 ttp -172.19 106.02 0.19 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.052 -0.976 . . . . 15.0 109.175 169.783 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -104.68 -83.48 0.5 Allowed 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.231 -0.655 . . . . 15.0 109.231 179.002 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.97 0 CA-C-O 118.472 -0.775 . . . . 15.0 109.183 175.619 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.777 ' HG2' ' HG2' ' A' ' 42' ' ' PRO . 36.8 Cg_exo . . . . . 0 C--O 1.235 0.341 0 N-CA-C 113.56 0.562 . . . . 15.0 113.56 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 43.9 tttm -60.82 113.18 2.36 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.54 -0.754 . . . . 15.0 110.852 179.231 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 125.64 -20.08 6.53 Favored Glycine 0 N--CA 1.449 -0.494 0 CA-C-N 115.795 -0.639 . . . . 15.0 112.23 -178.523 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.615 ' HA ' ' O ' ' A' ' 30' ' ' ILE . 83.4 m95 -103.54 128.72 50.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.177 0.513 . . . . 15.0 111.276 -179.189 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.519 ' O ' HG12 ' A' ' 30' ' ' ILE . 23.7 mt-10 -100.39 143.85 30.09 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.545 -0.752 . . . . 15.0 109.602 172.082 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 24.8 t -93.98 105.6 17.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-O 120.918 0.389 . . . . 15.0 110.246 178.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.482 ' HD2' ' CZ ' ' A' ' 28' ' ' PHE . 60.3 ttm-85 -107.52 122.26 46.29 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.282 -0.636 . . . . 15.0 109.282 179.181 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.684 ' HA ' ' HA ' ' A' ' 27' ' ' PRO . 36.1 t-80 -89.8 123.54 33.87 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.077 0.465 . . . . 15.0 110.298 -173.304 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.4 ' C ' ' H ' ' A' ' 24' ' ' ASN . . . -94.66 163.68 21.88 Favored Pre-proline 0 C--N 1.322 -0.594 0 CA-C-N 115.737 -0.665 . . . . 15.0 110.992 -177.087 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo -69.17 6.26 1.18 Allowed 'Trans proline' 0 C--N 1.349 0.59 0 C-N-CA 123.072 2.515 . . . . 15.0 112.077 173.465 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.4 ' H ' ' C ' ' A' ' 22' ' ' ALA . 12.7 m120 -81.19 13.68 2.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.743 -0.662 . . . . 15.0 110.671 176.726 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 56.39 30.2 58.15 Favored Glycine 0 C--N 1.337 0.606 0 N-CA-C 109.95 -1.26 . . . . 15.0 109.95 -171.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.663 ' HG2' ' HE3' ' A' ' 39' ' ' TRP . 17.1 ttt180 -149.78 136.94 11.21 Favored Pre-proline 0 N--CA 1.44 -0.968 0 CA-C-N 114.525 -0.837 . . . . 15.0 110.571 -169.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.684 ' HA ' ' HA ' ' A' ' 21' ' ' HIS . 13.1 Cg_endo -89.52 128.45 1.75 Allowed 'Trans proline' 0 N--CA 1.452 -0.915 0 C-N-CA 122.523 2.149 . . . . 15.0 111.606 171.605 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.482 ' CZ ' ' HD2' ' A' ' 20' ' ' ARG . 8.0 p90 -102.44 142.9 32.89 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-O 121.338 0.59 . . . . 15.0 109.673 174.411 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.414 ' O ' ' HA ' ' A' ' 37' ' ' THR . 98.7 m-85 -90.07 137.53 32.27 Favored 'General case' 0 CA--C 1.502 -0.869 0 CA-C-N 115.521 -0.763 . . . . 15.0 110.382 -177.267 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.759 ' HB ' ' CE2' ' B' ' 117' ' ' TYR . 26.2 pt -127.45 125.18 65.23 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.926 0 N-CA-C 114.414 1.265 . . . . 15.0 114.414 -175.689 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.46 ' HB2' ' CE2' ' A' ' 17' ' ' TRP . 5.1 t70 -97.74 126.8 43.28 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 114.034 -1.439 . . . . 15.0 110.896 -179.141 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 83.4 m-70 -91.13 -2.11 57.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.911 -0.586 . . . . 15.0 111.406 -178.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 38.1 m-80 -87.47 -54.26 4.38 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.69 0.281 . . . . 15.0 111.672 -175.166 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.407 ' O ' HG21 ' A' ' 34' ' ' THR . 7.1 m -116.85 16.0 15.25 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.134 0.492 . . . . 15.0 111.321 -172.454 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.473 ' HE2' ' HA ' ' B' ' 118' ' ' MET . 10.8 mmmm 55.54 73.69 0.41 Allowed 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.098 -0.501 . . . . 15.0 111.453 -179.705 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 7.3 p -144.59 150.19 37.04 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 112.366 0.506 . . . . 15.0 112.366 -177.258 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.619 ' HG1' HG21 ' A' ' 30' ' ' ILE . 98.8 m -132.53 137.03 47.0 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.547 -0.752 . . . . 15.0 110.206 177.805 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.532 HG21 ' CZ3' ' A' ' 17' ' ' TRP . 4.8 t -135.21 141.45 45.83 Favored 'General case' 0 C--O 1.224 -0.281 0 CA-C-O 121.027 0.441 . . . . 15.0 111.231 179.587 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.663 ' HE3' ' HG2' ' A' ' 26' ' ' ARG . 96.1 m95 -84.48 -11.84 55.4 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.156 -0.474 . . . . 15.0 110.205 178.424 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -114.66 134.5 55.02 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.638 -0.71 . . . . 15.0 109.705 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.403 ' HA ' ' HD2' ' A' ' 42' ' ' PRO . 25.4 t0 -48.53 118.53 7.02 Favored Pre-proline 0 N--CA 1.465 0.32 0 O-C-N 123.91 0.756 . . . . 15.0 111.165 -176.202 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.777 ' HG2' ' HG2' ' A' ' 14' ' ' PRO . 10.0 Cg_endo . . . . . 0 C--N 1.349 0.568 0 C-N-CA 123.571 2.848 . . . . 15.0 114.689 178.483 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 114' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_endo . . . . . 0 C--O 1.235 0.347 0 CA-C-O 121.243 0.435 . . . . 15.0 113.019 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 115' ' ' PRO . . . . . . . . . . . . . 6.5 Cg_endo -88.64 134.55 2.81 Favored 'Trans proline' 0 N--CA 1.452 -0.958 0 C-N-CA 123.436 2.758 . . . . 15.0 111.64 177.4 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -70.53 121.71 18.32 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.507 -0.553 . . . . 15.0 109.507 176.382 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 117' ' ' TYR . . . . . 0.759 ' CE2' ' HB ' ' A' ' 30' ' ' ILE . 38.8 t80 -86.83 119.8 27.44 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 120.643 -0.423 . . . . 15.0 111.454 -175.591 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 118' ' ' MET . . . . . 0.473 ' HA ' ' HE2' ' A' ' 35' ' ' LYS . 25.5 mmt -151.7 64.84 0.86 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.904 -0.589 . . . . 15.0 109.721 171.633 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -97.25 4.64 50.89 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.226 -0.443 . . . . 15.0 110.876 -179.523 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.983 0 CA-C-O 118.714 -0.66 . . . . 15.0 110.241 179.357 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 51.8 t80 . . . . . 0 N--CA 1.477 0.922 0 CA-C-O 120.61 0.243 . . . . 15.0 110.351 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.445 HD21 ' N ' ' A' ' 13' ' ' LEU . 2.0 pt? -154.9 152.81 26.34 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 116.452 -0.34 . . . . 15.0 110.49 -179.592 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.689 ' HG2' ' HG2' ' A' ' 42' ' ' PRO . 9.3 Cg_exo -35.93 139.95 0.14 Allowed 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 124.774 3.649 . . . . 15.0 114.921 177.335 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 23.4 tptm -58.72 117.53 4.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 114.842 -1.072 . . . . 15.0 110.924 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 114.13 -22.37 14.12 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.848 -0.692 . . . . 15.0 112.185 179.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.588 ' CD1' ' HB2' ' A' ' 14' ' ' PRO . 76.5 m95 -89.91 136.73 32.87 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.884 0.85 . . . . 15.0 111.217 -177.36 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.416 ' O ' HG12 ' A' ' 30' ' ' ILE . 7.8 tt0 -101.14 144.75 29.65 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 114.226 -1.352 . . . . 15.0 108.941 177.384 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 9.9 p -106.87 119.61 56.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.509 0.671 . . . . 15.0 109.6 172.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.473 ' HB2' HD11 ' A' ' 30' ' ' ILE . 26.7 ttm180 -124.02 133.28 53.7 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 109.3 -0.63 . . . . 15.0 109.3 -178.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 4.0 t-80 -92.95 114.42 26.97 Favored 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 120.75 -0.38 . . . . 15.0 110.275 -177.286 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -93.51 163.06 25.85 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 115.909 -0.587 . . . . 15.0 110.692 -178.379 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_exo -64.28 -0.59 2.97 Favored 'Trans proline' 0 C--N 1.35 0.632 0 C-N-CA 123.059 2.506 . . . . 15.0 112.432 177.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -75.03 5.66 5.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.837 -0.619 . . . . 15.0 111.012 175.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 61.12 27.2 66.94 Favored Glycine 0 CA--C 1.505 -0.551 0 N-CA-C 109.375 -1.49 . . . . 15.0 109.375 -171.152 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.692 ' HG2' ' CE3' ' A' ' 39' ' ' TRP . 26.8 tpt180 -136.72 132.83 18.67 Favored Pre-proline 0 N--CA 1.441 -0.878 0 CA-C-N 114.221 -0.99 . . . . 15.0 110.849 -168.445 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 8.3 Cg_endo -89.62 112.35 0.52 Allowed 'Trans proline' 0 N--CA 1.449 -1.13 0 C-N-CA 122.445 2.097 . . . . 15.0 110.736 168.079 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.471 ' HD1' ' H ' ' A' ' 28' ' ' PHE . 0.9 OUTLIER -95.5 139.47 31.73 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.21 -0.663 . . . . 15.0 109.21 179.303 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.635 ' HB2' ' OG1' ' A' ' 38' ' ' THR . 92.2 m-85 -89.75 131.13 35.86 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.003 -0.544 . . . . 15.0 110.169 -174.316 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.632 ' HB ' ' CE1' ' B' ' 117' ' ' TYR . 0.0 OUTLIER -139.62 112.81 6.03 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.405 0 N-CA-C 115.029 1.492 . . . . 15.0 115.029 -172.738 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.446 ' HB2' ' CD2' ' A' ' 17' ' ' TRP . 9.9 t0 -89.99 129.45 36.32 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.571 -0.74 . . . . 15.0 110.81 178.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 62.0 m-70 -88.98 -18.64 26.99 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.472 -0.785 . . . . 15.0 111.723 -176.149 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -91.61 -20.09 22.02 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.35 -0.54 . . . . 15.0 111.854 -171.576 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.0 m -117.23 -4.01 11.44 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.84 -0.344 . . . . 15.0 111.04 176.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 48.3 mmtm 58.32 73.57 0.47 Allowed 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 122.88 0.472 . . . . 15.0 111.315 -176.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.9 p -146.52 150.09 34.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.398 -0.365 . . . . 15.0 111.439 -178.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.415 HG23 ' O ' ' B' ' 115' ' ' PRO . 9.0 t -131.74 147.87 52.53 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.078 -0.51 . . . . 15.0 109.94 177.123 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.635 ' OG1' ' HB2' ' A' ' 29' ' ' PHE . 34.2 p -144.08 149.99 37.46 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.303 -0.408 . . . . 15.0 110.454 -176.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.692 ' CE3' ' HG2' ' A' ' 26' ' ' ARG . 95.1 m95 -95.38 -33.87 12.34 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.337 -0.616 . . . . 15.0 109.337 171.356 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -88.56 140.57 29.32 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.614 -0.721 . . . . 15.0 109.656 174.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -54.48 121.9 35.22 Favored Pre-proline 0 C--N 1.327 -0.381 0 O-C-N 123.501 0.501 . . . . 15.0 110.508 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.689 ' HG2' ' HG2' ' A' ' 14' ' ' PRO . 11.2 Cg_endo -56.07 -10.08 3.97 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 123.714 2.943 . . . . 15.0 114.609 -177.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.515 ' HG3' ' HD3' ' A' ' 14' ' ' PRO . 77.3 mtm180 -68.55 -31.73 71.17 Favored 'General case' 0 C--N 1.328 -0.366 0 O-C-N 121.809 -0.557 . . . . 15.0 109.939 173.54 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -80.41 -27.31 38.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.763 -0.653 . . . . 15.0 111.193 178.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 57.5 mttp -128.62 97.54 4.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.861 0.362 . . . . 15.0 110.767 178.298 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 8.1 tt . . . . . 0 C--O 1.246 0.919 0 CA-C-O 118.122 -0.942 . . . . 15.0 110.311 178.811 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 15.9 p . . . . . 0 N--CA 1.476 0.873 0 N-CA-C 110.699 -0.111 . . . . 15.0 110.699 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 113' ' ' ALA . . . . . 0.4 ' O ' ' HZ2' ' A' ' 39' ' ' TRP . . . 72.45 97.77 0.04 OUTLIER Pre-proline 0 N--CA 1.467 0.375 0 C-N-CA 123.272 0.629 . . . . 15.0 111.656 177.602 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 114' ' ' PRO . . . . . 0.452 ' HA ' ' HD3' ' B' ' 115' ' ' PRO . 73.7 Cg_endo -75.01 132.32 15.26 Favored 'Trans proline' 0 C--O 1.234 0.321 0 C-N-CA 122.773 2.315 . . . . 15.0 112.366 -178.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 115' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' B' ' 114' ' ' PRO . 6.3 Cg_exo -79.41 135.48 11.9 Favored 'Trans proline' 0 N--CA 1.461 -0.43 0 C-N-CA 123.117 2.545 . . . . 15.0 111.788 178.18 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -65.27 136.53 56.7 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.395 -0.965 . . . . 15.0 108.395 174.137 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 117' ' ' TYR . . . . . 0.632 ' CE1' ' HB ' ' A' ' 30' ' ' ILE . 45.3 t80 -104.25 126.17 51.13 Favored 'General case' 0 C--N 1.316 -0.878 0 C-N-CA 120.11 -0.636 . . . . 15.0 112.623 -170.526 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 118' ' ' MET . . . . . . . . . . . . . 12.7 tpt -163.35 91.53 0.7 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.13 -0.941 . . . . 15.0 109.111 166.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 -125.99 109.31 12.29 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 114.585 -1.189 . . . . 15.0 110.308 -175.389 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.97 0 CA-C-O 118.475 -0.774 . . . . 15.0 110.003 -179.482 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 8.3 p90 . . . . . 0 N--CA 1.48 1.041 0 CA-C-O 120.533 0.206 . . . . 15.0 111.52 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.6 pp -83.77 152.97 63.92 Favored Pre-proline 0 C--O 1.235 0.312 0 C-N-CA 120.707 -0.397 . . . . 15.0 110.451 175.321 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.712 ' HG2' ' HB2' ' A' ' 42' ' ' PRO . 15.3 Cg_exo -42.0 135.44 3.83 Favored 'Trans proline' 0 CA--C 1.529 0.242 0 C-N-CA 123.823 3.015 . . . . 15.0 112.611 173.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -76.08 11.82 1.35 Allowed 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 112.925 0.713 . . . . 15.0 112.925 -169.529 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.491 ' O ' ' HA ' ' A' ' 31' ' ' ASP . . . -114.14 -6.89 19.93 Favored Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 120.384 -0.912 . . . . 15.0 111.887 175.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.651 ' CE2' ' HB2' ' A' ' 31' ' ' ASP . 65.0 m95 -111.19 129.5 55.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.399 0.619 . . . . 15.0 112.183 -171.473 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -94.68 147.87 22.86 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.005 -0.998 . . . . 15.0 110.325 173.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.441 HG11 ' O ' ' A' ' 19' ' ' VAL . 7.4 p -97.77 90.96 2.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 121.652 0.739 . . . . 15.0 110.044 177.182 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -96.4 125.59 41.0 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.555 -0.535 . . . . 15.0 109.555 -178.083 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.492 ' HA ' ' HA ' ' A' ' 27' ' ' PRO . 7.7 t-80 -90.2 128.46 36.38 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.8 0.333 . . . . 15.0 110.744 -174.54 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.402 ' C ' ' H ' ' A' ' 24' ' ' ASN . . . -108.98 160.72 26.36 Favored Pre-proline 0 C--N 1.327 -0.405 0 CA-C-N 116.182 -0.463 . . . . 15.0 110.375 178.008 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_exo -64.36 3.65 0.77 Allowed 'Trans proline' 0 C--N 1.35 0.651 0 C-N-CA 123.185 2.59 . . . . 15.0 112.79 176.535 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.402 ' H ' ' C ' ' A' ' 22' ' ' ALA . 13.8 m120 -71.14 -3.15 18.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.827 -0.624 . . . . 15.0 111.105 175.085 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 69.73 12.86 68.1 Favored Glycine 0 N--CA 1.448 -0.517 0 N-CA-C 109.358 -1.497 . . . . 15.0 109.358 -168.222 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.502 ' HG2' ' HE3' ' A' ' 39' ' ' TRP . 19.5 ttp180 -130.56 132.62 24.1 Favored Pre-proline 0 N--CA 1.44 -0.937 0 CA-C-N 113.884 -1.158 . . . . 15.0 109.803 -172.463 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.492 ' HA ' ' HA ' ' A' ' 21' ' ' HIS . 7.0 Cg_endo -89.66 119.08 0.84 Allowed 'Trans proline' 0 N--CA 1.445 -1.348 0 C-N-CA 121.976 1.784 . . . . 15.0 110.695 170.242 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 49.0 p90 -89.69 137.59 32.2 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 108.944 -0.761 . . . . 15.0 108.944 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.436 ' O ' ' HA ' ' A' ' 37' ' ' THR . 96.8 m-85 -90.1 139.39 30.67 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 116.077 -0.51 . . . . 15.0 110.214 -175.684 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.597 ' HB ' ' CE2' ' B' ' 117' ' ' TYR . 10.4 pt -138.17 126.29 30.37 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.491 0 N-CA-C 114.016 1.117 . . . . 15.0 114.016 -177.69 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.651 ' HB2' ' CE2' ' A' ' 17' ' ' TRP . 15.9 t70 -89.82 132.25 35.35 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 115.175 -0.92 . . . . 15.0 109.891 179.459 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 61.6 m-70 -95.17 -22.65 17.71 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 113.109 0.781 . . . . 15.0 113.109 -174.132 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -81.76 -30.01 32.58 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 120.26 -0.576 . . . . 15.0 109.884 -177.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 18.0 p -134.9 103.7 5.7 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 108.174 -1.047 . . . . 15.0 108.174 170.189 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.522 ' HB3' ' CD1' ' B' ' 117' ' ' TYR . 11.7 mmmt -57.68 97.19 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 116.523 -0.308 . . . . 15.0 111.669 -166.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.7 p -145.03 150.0 36.1 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.838 -0.619 . . . . 15.0 110.622 -179.6 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.436 ' HA ' ' O ' ' A' ' 29' ' ' PHE . 10.2 t -129.03 144.94 51.35 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-O 120.685 0.279 . . . . 15.0 111.287 -177.475 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.523 ' HB ' ' OE2' ' A' ' 40' ' ' GLU . 66.4 p -133.01 150.06 52.18 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.229 -0.441 . . . . 15.0 110.695 178.314 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.502 ' HE3' ' HG2' ' A' ' 26' ' ' ARG . 99.8 m95 -93.85 -19.93 20.53 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.058 0.456 . . . . 15.0 109.974 174.616 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.523 ' OE2' ' HB ' ' A' ' 38' ' ' THR . 0.0 OUTLIER -103.8 144.5 31.41 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.734 -0.666 . . . . 15.0 110.159 175.674 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -58.52 123.15 65.42 Favored Pre-proline 0 C--N 1.324 -0.536 0 CA-C-N 115.37 -0.832 . . . . 15.0 111.392 -172.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.712 ' HB2' ' HG2' ' A' ' 14' ' ' PRO . 12.0 Cg_endo -58.23 -9.44 6.5 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.926 2.417 . . . . 15.0 114.05 177.251 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 78.5 mtm180 -62.67 -11.2 15.64 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 118.329 0.513 . . . . 15.0 110.221 172.091 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 92.4 mt -77.85 -16.96 57.9 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.965 -0.561 . . . . 15.0 110.915 173.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.451 ' O ' ' HG2' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -147.43 107.57 4.04 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-O 121.909 0.861 . . . . 15.0 110.668 175.587 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.511 ' H ' HD11 ' A' ' 46' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--O 1.248 1.008 0 CA-C-N 115.601 -0.727 . . . . 15.0 110.964 -176.668 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 8.1 t . . . . . 0 N--CA 1.479 0.989 0 N-CA-C 110.026 -0.361 . . . . 15.0 110.026 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 113' ' ' ALA . . . . . . . . . . . . . . . -151.75 131.88 7.14 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-N 116.551 -0.295 . . . . 15.0 111.647 -177.619 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 114' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_exo -65.08 130.56 26.05 Favored 'Trans proline' 0 C--O 1.235 0.372 0 C-N-CA 122.805 2.337 . . . . 15.0 110.929 173.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 115' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -60.14 130.17 33.22 Favored 'Trans proline' 0 N--CA 1.461 -0.4 0 C-N-CA 122.624 2.216 . . . . 15.0 112.194 -178.198 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 116' ' ' GLU . . . . . 0.46 ' CD ' ' H ' ' B' ' 116' ' ' GLU . 1.3 mp0 -56.07 133.98 52.31 Favored 'General case' 0 CA--C 1.516 -0.362 0 N-CA-C 108.664 -0.865 . . . . 15.0 108.664 175.043 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 117' ' ' TYR . . . . . 0.597 ' CE2' ' HB ' ' A' ' 30' ' ' ILE . 0.3 OUTLIER -107.3 119.88 40.61 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-O 121.377 0.608 . . . . 15.0 111.227 -169.89 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 118' ' ' MET . . . . . 0.427 ' N ' ' HD1' ' B' ' 117' ' ' TYR . 12.1 tmm? -160.03 105.75 1.56 Allowed 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 106.83 -1.545 . . . . 15.0 106.83 166.306 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 18.6 tp10 -173.49 123.52 0.37 Allowed 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.511 -0.768 . . . . 15.0 109.136 -168.357 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.875 0 CA-C-O 118.673 -0.679 . . . . 15.0 111.174 -179.056 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 22.0 p90 . . . . . 0 N--CA 1.482 1.143 0 CA-C-O 120.73 0.3 . . . . 15.0 110.897 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.481 ' HB2' ' HD2' ' A' ' 14' ' ' PRO . 0.9 OUTLIER -110.19 168.55 7.47 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 116.452 -0.34 . . . . 15.0 111.397 -173.637 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.902 ' HG2' ' HB2' ' A' ' 42' ' ' PRO . 67.4 Cg_exo -45.85 130.94 13.21 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 123.494 2.796 . . . . 15.0 113.326 175.417 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 54.5 mttm -65.64 120.72 13.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.682 -0.69 . . . . 15.0 110.676 -178.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 116.74 -15.21 14.3 Favored Glycine 0 N--CA 1.449 -0.46 0 N-CA-C 111.437 -0.665 . . . . 15.0 111.437 -177.4 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.626 ' CD1' ' HB2' ' A' ' 14' ' ' PRO . 69.6 m95 -99.34 128.95 45.51 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.31 0.576 . . . . 15.0 110.503 178.758 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.402 ' HB2' HG13 ' A' ' 30' ' ' ILE . 48.7 mm-40 -95.92 142.61 27.95 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 115.625 -0.716 . . . . 15.0 110.028 175.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 9.9 p -96.52 107.72 20.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.7 0.762 . . . . 15.0 110.068 175.082 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 21.9 tpp180 -109.36 126.01 52.97 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.996 -0.742 . . . . 15.0 108.996 -179.59 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.409 ' HA ' ' HA ' ' A' ' 27' ' ' PRO . 7.7 t-80 -91.95 120.16 32.35 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.89 0.376 . . . . 15.0 110.999 -174.574 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.447 ' HB2' ' HD2' ' A' ' 23' ' ' PRO . . . -92.59 161.62 31.69 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-N 115.832 -0.622 . . . . 15.0 110.841 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.447 ' HD2' ' HB2' ' A' ' 22' ' ' ALA . 42.3 Cg_endo -67.67 5.85 0.9 Allowed 'Trans proline' 0 C--N 1.351 0.695 0 C-N-CA 122.923 2.415 . . . . 15.0 112.478 176.768 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.508 ' HB3' ' HB3' ' A' ' 26' ' ' ARG . 64.1 t30 -80.93 4.09 20.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.721 -0.672 . . . . 15.0 109.787 176.505 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 63.1 33.28 86.83 Favored Glycine 0 CA--C 1.505 -0.564 0 N-CA-C 109.277 -1.529 . . . . 15.0 109.277 -170.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.679 ' HG2' ' CE3' ' A' ' 39' ' ' TRP . 8.7 tpt180 -142.92 130.73 11.15 Favored Pre-proline 0 N--CA 1.443 -0.776 0 CA-C-N 114.06 -1.07 . . . . 15.0 110.236 -168.343 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.409 ' HA ' ' HA ' ' A' ' 21' ' ' HIS . 8.1 Cg_endo -89.76 124.38 1.27 Allowed 'Trans proline' 0 N--CA 1.453 -0.896 0 C-N-CA 122.178 1.919 . . . . 15.0 111.284 170.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 46.9 p90 -100.31 136.94 39.43 Favored 'General case' 0 N--CA 1.448 -0.531 0 N-CA-C 109.627 -0.509 . . . . 15.0 109.627 177.473 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.475 ' HB2' HG22 ' A' ' 38' ' ' THR . 80.8 m-85 -89.49 133.45 34.56 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.582 -0.735 . . . . 15.0 110.179 -175.199 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.871 ' HB ' ' HE2' ' B' ' 117' ' ' TYR . 15.1 pt -136.02 127.5 44.14 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.643 0 N-CA-C 114.756 1.391 . . . . 15.0 114.756 -174.211 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.626 ' HB2' ' CE2' ' A' ' 17' ' ' TRP . 11.2 t70 -98.03 129.56 44.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 114.936 -1.029 . . . . 15.0 111.0 -179.124 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.423 ' HE1' ' OE1' ' B' ' 119' ' ' GLU . 93.7 m-70 -87.07 -17.6 32.51 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.196 -0.456 . . . . 15.0 111.164 -179.205 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 43.6 m-80 -71.91 -59.07 2.94 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.069 0.461 . . . . 15.0 110.799 -175.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -100.36 0.49 40.07 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.773 -0.649 . . . . 15.0 111.719 -171.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 47.7 mmtm 57.71 81.12 0.15 Allowed 'General case' 0 C--O 1.232 0.143 0 CA-C-O 120.998 0.428 . . . . 15.0 110.237 -174.614 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 28.0 m -149.73 145.41 26.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.346 -0.388 . . . . 15.0 111.363 -175.079 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.673 HG22 ' HG2' ' B' ' 115' ' ' PRO . 25.6 m -124.81 140.16 53.18 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 116.07 -0.514 . . . . 15.0 110.3 179.368 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.526 HG23 ' CZ3' ' A' ' 17' ' ' TRP . 5.2 t -147.3 139.82 24.73 Favored 'General case' 0 C--O 1.223 -0.315 0 CA-C-O 120.796 0.332 . . . . 15.0 110.882 177.056 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.679 ' CE3' ' HG2' ' A' ' 26' ' ' ARG . 74.7 m95 -87.49 -15.1 38.55 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.725 -0.472 . . . . 15.0 109.725 175.821 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 57.1 mm-40 -94.5 132.86 38.74 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.459 -0.791 . . . . 15.0 109.665 176.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.554 ' HB3' HD23 ' A' ' 44' ' ' LEU . 11.5 t0 -57.39 120.07 37.22 Favored Pre-proline 0 C--N 1.326 -0.417 0 O-C-N 123.614 0.571 . . . . 15.0 110.337 -179.505 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.902 ' HB2' ' HG2' ' A' ' 14' ' ' PRO . 45.9 Cg_exo -58.63 -10.04 8.42 Favored 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 122.979 2.453 . . . . 15.0 114.126 -177.673 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.756 ' HG3' ' HD3' ' A' ' 14' ' ' PRO . 63.0 mtm180 -72.67 -20.56 61.22 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.752 -0.379 . . . . 15.0 110.544 175.874 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.554 HD23 ' HB3' ' A' ' 41' ' ' ASP . 3.9 mm? -79.65 -10.39 59.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.214 0.531 . . . . 15.0 110.274 176.208 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.512 ' O ' ' HD2' ' A' ' 45' ' ' LYS . 0.1 OUTLIER -85.45 -14.61 45.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.375 -0.83 . . . . 15.0 109.309 179.286 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 56.0 mt . . . . . 0 C--O 1.247 0.936 0 CA-C-O 118.675 -0.678 . . . . 15.0 110.12 -179.814 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 50.7 m . . . . . 0 N--CA 1.473 0.703 0 CA-C-O 120.977 0.418 . . . . 15.0 110.261 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 113' ' ' ALA . . . . . . . . . . . . . . . -150.39 160.86 32.21 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 115.674 -0.693 . . . . 15.0 109.813 -178.401 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 114' ' ' PRO . . . . . 0.41 ' HA ' ' HD2' ' B' ' 115' ' ' PRO . 50.0 Cg_exo -56.66 124.66 16.79 Favored 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 122.451 2.101 . . . . 15.0 112.266 176.493 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 115' ' ' PRO . . . . . 0.673 ' HG2' HG22 ' A' ' 37' ' ' THR . 21.2 Cg_endo -61.15 132.7 42.89 Favored 'Trans proline' 0 C--O 1.237 0.431 0 C-N-CA 122.878 2.385 . . . . 15.0 112.308 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -63.22 119.87 10.44 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.083 -0.71 . . . . 15.0 109.083 176.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 117' ' ' TYR . . . . . 0.871 ' HE2' ' HB ' ' A' ' 30' ' ' ILE . 36.7 t80 -90.23 129.0 36.54 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 112.952 0.723 . . . . 15.0 112.952 -168.174 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 118' ' ' MET . . . . . 0.415 ' HE1' ' HB2' ' B' ' 118' ' ' MET . 14.8 ptm -162.46 103.65 1.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.904 -1.044 . . . . 15.0 108.718 165.451 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 119' ' ' GLU . . . . . 0.423 ' OE1' ' HE1' ' A' ' 32' ' ' HIS . 0.5 OUTLIER -156.87 111.15 2.72 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.136 -0.69 . . . . 15.0 109.136 -175.117 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.281 -0.866 . . . . 15.0 110.839 -177.161 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 43.8 p90 . . . . . 0 N--CA 1.476 0.856 0 N-CA-C 110.321 -0.251 . . . . 15.0 110.321 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.2 pp -123.39 154.99 66.01 Favored Pre-proline 0 C--N 1.322 -0.597 0 N-CA-C 110.004 -0.369 . . . . 15.0 110.004 169.518 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_exo -44.31 127.48 7.3 Favored 'Trans proline' 0 N--CA 1.463 -0.291 0 C-N-CA 123.418 2.745 . . . . 15.0 111.845 176.132 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.69 ' HE3' ' HA ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -74.52 10.52 1.3 Allowed 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.965 0.728 . . . . 15.0 112.965 -171.334 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.591 ' O ' ' HA ' ' A' ' 31' ' ' ASP . . . -101.38 -14.9 29.08 Favored Glycine 0 N--CA 1.444 -0.801 0 C-N-CA 120.377 -0.916 . . . . 15.0 111.445 172.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.699 ' CE2' ' HB2' ' A' ' 31' ' ' ASP . 75.8 m95 -105.64 131.82 52.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.318 0.58 . . . . 15.0 111.989 -171.499 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -109.27 149.68 29.07 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.158 -0.928 . . . . 15.0 109.097 174.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 20.5 t -103.25 105.39 18.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 120.869 0.366 . . . . 15.0 110.291 -178.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.434 ' HD2' ' CZ ' ' A' ' 28' ' ' PHE . 40.4 ttm180 -109.9 127.39 54.7 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.993 -0.373 . . . . 15.0 109.993 179.71 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.698 ' HA ' ' HA ' ' A' ' 27' ' ' PRO . 35.8 t-80 -89.85 119.84 30.58 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.052 0.453 . . . . 15.0 110.266 -176.079 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.441 ' C ' ' H ' ' A' ' 24' ' ' ASN . . . -98.5 163.74 18.46 Favored Pre-proline 0 C--N 1.322 -0.621 0 CA-C-N 115.64 -0.709 . . . . 15.0 110.978 -176.48 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_exo -67.33 10.64 0.24 Allowed 'Trans proline' 0 C--N 1.35 0.617 0 C-N-CA 123.311 2.674 . . . . 15.0 112.752 177.108 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.441 ' H ' ' C ' ' A' ' 22' ' ' ALA . 0.9 OUTLIER -80.1 6.52 11.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 15.0 110.321 174.686 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 62.29 25.73 66.99 Favored Glycine 0 N--CA 1.446 -0.665 0 N-CA-C 109.773 -1.331 . . . . 15.0 109.773 -168.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.616 ' HG2' ' HE3' ' A' ' 39' ' ' TRP . 47.3 ttt180 -149.66 135.95 10.47 Favored Pre-proline 0 N--CA 1.441 -0.889 0 CA-C-N 114.63 -0.785 . . . . 15.0 110.873 -168.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.698 ' HA ' ' HA ' ' A' ' 21' ' ' HIS . 32.4 Cg_endo -89.87 127.73 1.57 Allowed 'Trans proline' 0 N--CA 1.454 -0.836 0 C-N-CA 122.554 2.169 . . . . 15.0 111.836 173.51 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.434 ' CZ ' ' HD2' ' A' ' 20' ' ' ARG . 2.6 p90 -99.09 146.52 26.0 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-O 121.298 0.57 . . . . 15.0 109.955 176.248 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -96.03 135.47 37.76 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 115.41 -0.813 . . . . 15.0 109.641 -178.567 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.795 ' HB ' ' CE2' ' B' ' 117' ' ' TYR . 18.0 pt -136.67 121.36 25.33 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.576 0 N-CA-C 114.448 1.277 . . . . 15.0 114.448 -174.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.699 ' HB2' ' CE2' ' A' ' 17' ' ' TRP . 8.5 t70 -90.1 131.49 35.93 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.706 -0.679 . . . . 15.0 110.8 178.668 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 49.6 m-70 -92.72 -10.88 35.51 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 113.738 1.014 . . . . 15.0 113.738 -173.573 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -108.68 -13.02 14.87 Favored 'General case' 0 N--CA 1.465 0.325 0 C-N-CA 119.677 -0.809 . . . . 15.0 111.946 -175.807 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.7 m -118.3 -8.39 10.58 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.108 -0.496 . . . . 15.0 110.634 178.325 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.515 ' HA ' ' CD1' ' B' ' 117' ' ' TYR . 14.2 mptt 56.02 78.13 0.21 Allowed 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 115.734 -0.666 . . . . 15.0 111.932 -177.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.2 p -149.94 150.2 31.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.028 -0.533 . . . . 15.0 111.431 -178.138 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 35.8 m -131.48 134.52 46.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.048 -0.524 . . . . 15.0 110.387 177.397 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.54 HG22 ' CZ3' ' A' ' 17' ' ' TRP . 8.8 t -138.48 149.21 45.19 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.843 0.354 . . . . 15.0 110.259 176.541 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.616 ' HE3' ' HG2' ' A' ' 26' ' ' ARG . 86.0 m95 -95.65 -7.17 38.31 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.149 0.499 . . . . 15.0 109.918 179.715 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -102.37 132.66 48.22 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.744 -0.662 . . . . 15.0 109.745 176.14 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.481 ' OD2' ' HD3' ' A' ' 43' ' ' ARG . 67.4 t0 -56.35 116.94 14.12 Favored Pre-proline 0 C--N 1.323 -0.557 0 CA-C-N 115.679 -0.692 . . . . 15.0 111.619 -176.475 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -60.1 -10.27 12.26 Favored 'Trans proline' 0 C--N 1.352 0.748 0 C-N-CA 122.993 2.462 . . . . 15.0 113.654 179.372 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.481 ' HD3' ' OD2' ' A' ' 41' ' ' ASP . 37.1 mtp-105 -64.58 -20.83 66.48 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.969 0.414 . . . . 15.0 110.526 175.574 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 88.5 mt -80.19 -15.29 57.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.008 -0.542 . . . . 15.0 110.883 179.509 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -91.61 -6.31 52.49 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.291 -0.413 . . . . 15.0 111.503 -175.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 11.4 tt . . . . . 0 C--O 1.251 1.165 0 CA-C-N 116.438 -0.346 . . . . 15.0 110.32 -179.822 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 9.2 m . . . . . 0 N--CA 1.472 0.631 0 CA-C-O 120.958 0.409 . . . . 15.0 109.998 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 113' ' ' ALA . . . . . . . . . . . . . . . -158.1 160.64 29.72 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 115.982 -0.554 . . . . 15.0 109.801 -177.339 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 114' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_exo -57.58 125.75 19.72 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.596 2.197 . . . . 15.0 112.289 176.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 115' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -71.55 139.86 35.11 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.761 2.307 . . . . 15.0 111.623 177.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.0 122.49 16.17 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.589 -0.523 . . . . 15.0 109.589 177.577 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 117' ' ' TYR . . . . . 0.795 ' CE2' ' HB ' ' A' ' 30' ' ' ILE . 38.8 t80 -96.5 121.29 38.16 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.095 0.474 . . . . 15.0 112.036 -170.033 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 118' ' ' MET . . . . . . . . . . . . . 14.5 tpt -152.38 48.87 0.76 Allowed 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 123.05 1.405 . . . . 15.0 108.565 170.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 119' ' ' GLU . . . . . 0.593 ' HB2' ' CZ ' ' B' ' 117' ' ' TYR . 9.8 mm-40 -90.66 120.35 31.65 Favored 'General case' 0 C--N 1.307 -1.268 0 CA-C-N 112.685 -2.052 . . . . 15.0 109.745 -179.099 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.647 -0.692 . . . . 15.0 110.089 176.7 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 45.2 p90 . . . . . 0 N--CA 1.48 1.049 0 CA-C-O 120.912 0.387 . . . . 15.0 110.468 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.498 ' N ' HD13 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -154.48 158.61 32.32 Favored Pre-proline 0 C--N 1.326 -0.414 0 CA-C-N 116.114 -0.494 . . . . 15.0 110.791 177.111 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.837 ' HD3' ' HD3' ' A' ' 43' ' ' ARG . 58.9 Cg_exo -41.19 150.3 0.16 Allowed 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 124.513 3.475 . . . . 15.0 114.681 179.475 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 23.3 ttmm -69.34 -22.45 63.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.286 -0.87 . . . . 15.0 110.5 177.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -82.55 -22.77 57.81 Favored Glycine 0 N--CA 1.447 -0.611 0 CA-C-N 115.684 -0.689 . . . . 15.0 112.882 -178.521 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.678 ' HA ' ' O ' ' A' ' 30' ' ' ILE . 77.0 m95 -103.48 133.3 48.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.103 0.478 . . . . 15.0 110.6 -178.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -114.02 149.58 35.18 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 109.125 -0.695 . . . . 15.0 109.125 176.138 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 21.8 t -105.09 96.77 4.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-O 120.789 0.328 . . . . 15.0 110.377 -178.218 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 40.5 ttm180 -104.5 146.2 29.21 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.584 -0.524 . . . . 15.0 109.584 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.482 ' HA ' ' HA ' ' A' ' 27' ' ' PRO . 12.1 t-80 -96.18 128.26 42.93 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 120.84 -0.344 . . . . 15.0 110.21 -179.73 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.493 ' HB2' ' HD2' ' A' ' 23' ' ' PRO . . . -104.18 162.98 18.25 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-N 116.087 -0.506 . . . . 15.0 110.805 -179.05 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.493 ' HD2' ' HB2' ' A' ' 22' ' ' ALA . 36.8 Cg_endo -66.22 6.15 0.56 Allowed 'Trans proline' 0 C--N 1.352 0.748 0 C-N-CA 123.105 2.536 . . . . 15.0 112.453 175.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.533 ' OD1' ' HA ' ' B' ' 112' ' ' THR . 39.9 m-80 -79.81 11.34 3.31 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.602 -0.726 . . . . 15.0 110.553 176.528 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 57.98 34.15 71.3 Favored Glycine 0 CA--C 1.504 -0.628 0 N-CA-C 109.886 -1.286 . . . . 15.0 109.886 -173.363 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.567 ' HG2' ' HE3' ' A' ' 39' ' ' TRP . 9.1 ttt180 -155.05 142.63 13.99 Favored Pre-proline 0 N--CA 1.441 -0.891 0 CA-C-N 114.824 -0.688 . . . . 15.0 111.04 -167.703 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.482 ' HA ' ' HA ' ' A' ' 21' ' ' HIS . 1.9 Cg_endo -89.4 132.15 2.14 Favored 'Trans proline' 0 N--CA 1.459 -0.556 0 C-N-CA 122.592 2.195 . . . . 15.0 111.301 169.455 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.449 ' CE1' ' HB1' ' A' ' 22' ' ' ALA . 8.4 p90 -112.9 138.52 49.64 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.962 -0.563 . . . . 15.0 109.777 -179.839 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.405 ' O ' ' HA ' ' A' ' 37' ' ' THR . 89.4 m-85 -89.65 136.9 32.76 Favored 'General case' 0 CA--C 1.509 -0.619 0 CA-C-N 115.812 -0.631 . . . . 15.0 109.635 -177.12 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 1.037 ' HB ' ' HE2' ' B' ' 117' ' ' TYR . 21.2 pt -136.85 124.34 32.04 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.501 0 N-CA-C 115.286 1.587 . . . . 15.0 115.286 -173.638 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.678 ' HB2' ' CE2' ' A' ' 17' ' ' TRP . 14.7 t70 -94.07 125.61 38.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 114.676 -1.147 . . . . 15.0 110.828 179.276 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 -85.13 -7.03 59.26 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.318 -0.401 . . . . 15.0 111.672 -178.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 48.8 m-80 -83.33 -40.19 19.79 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 111.924 0.342 . . . . 15.0 111.924 -171.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.3 m -122.52 6.85 9.51 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.642 -0.254 . . . . 15.0 111.432 -175.123 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.493 ' HA ' ' CD1' ' B' ' 117' ' ' TYR . 38.3 mmtm 59.54 73.48 0.48 Allowed 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 116.456 -0.338 . . . . 15.0 110.378 -172.597 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -137.29 150.12 47.56 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.649 -0.25 . . . . 15.0 110.997 -175.59 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.405 ' HA ' ' O ' ' A' ' 29' ' ' PHE . 9.3 t -142.06 145.45 34.36 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.778 0.323 . . . . 15.0 110.631 178.199 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 80.8 p -135.56 145.21 46.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.363 -0.381 . . . . 15.0 110.919 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.567 ' HE3' ' HG2' ' A' ' 26' ' ' ARG . 97.9 m95 -88.94 -12.87 40.4 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.599 0.714 . . . . 15.0 109.273 172.786 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -107.69 140.84 40.12 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 114.809 -1.087 . . . . 15.0 109.499 178.675 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -65.91 117.09 38.81 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-N 116.609 -0.269 . . . . 15.0 110.499 176.16 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -69.3 -9.99 27.73 Favored 'Trans proline' 0 C--O 1.218 -0.484 0 C-N-CA 122.405 2.07 . . . . 15.0 113.031 179.42 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.837 ' HD3' ' HD3' ' A' ' 14' ' ' PRO . 13.4 mmm180 -74.53 -9.8 58.93 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.278 0.561 . . . . 15.0 110.458 178.174 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 91.8 mt -76.51 -12.75 60.08 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 115.351 -0.84 . . . . 15.0 110.271 168.633 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.439 ' O ' ' HB ' ' A' ' 46' ' ' ILE . 97.6 mttt -129.68 126.06 37.44 Favored 'General case' 0 CA--C 1.526 0.053 0 C-N-CA 120.749 -0.38 . . . . 15.0 111.565 -178.16 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.439 ' HB ' ' O ' ' A' ' 45' ' ' LYS . 50.5 mm . . . . . 0 C--O 1.249 1.078 0 CA-C-N 115.873 -0.603 . . . . 15.0 110.235 -177.444 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 112' ' ' THR . . . . . 0.533 ' HA ' ' OD1' ' A' ' 24' ' ' ASN . 11.7 p . . . . . 0 N--CA 1.477 0.879 0 CA-C-O 120.606 0.241 . . . . 15.0 110.404 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 113' ' ' ALA . . . . . . . . . . . . . . . -140.53 135.87 16.18 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.583 -0.281 . . . . 15.0 110.852 -178.229 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 114' ' ' PRO . . . . . 0.506 ' HA ' ' HD3' ' B' ' 115' ' ' PRO . 30.2 Cg_endo -63.42 128.76 23.32 Favored 'Trans proline' 0 C--O 1.234 0.296 0 C-N-CA 122.905 2.404 . . . . 15.0 112.245 178.524 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 115' ' ' PRO . . . . . 0.506 ' HD3' ' HA ' ' B' ' 114' ' ' PRO . 3.5 Cg_exo -80.68 136.51 10.85 Favored 'Trans proline' 0 N--CA 1.46 -0.458 0 C-N-CA 123.09 2.526 . . . . 15.0 112.166 -179.017 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -66.27 122.96 18.65 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.422 -0.584 . . . . 15.0 109.422 173.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 117' ' ' TYR . . . . . 1.037 ' HE2' ' HB ' ' A' ' 30' ' ' ILE . 18.8 t80 -88.12 121.13 30.16 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 120.293 -0.563 . . . . 15.0 111.797 -172.656 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 118' ' ' MET . . . . . . . . . . . . . 56.9 ttp -155.19 88.38 1.16 Allowed 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.271 -0.877 . . . . 15.0 109.279 165.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 68.7 mm-40 -128.82 105.56 8.32 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 114.603 -1.18 . . . . 15.0 110.242 -176.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.876 0 CA-C-O 118.403 -0.808 . . . . 15.0 110.291 178.871 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 25.8 p90 . . . . . 0 N--CA 1.479 1.001 0 CA-C-O 121.011 0.434 . . . . 15.0 110.36 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.859 HD13 ' HB ' ' A' ' 19' ' ' VAL . 61.3 mt -131.4 161.39 62.32 Favored Pre-proline 0 C--N 1.323 -0.545 0 CA-C-N 116.574 -0.285 . . . . 15.0 110.366 -179.667 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.772 ' HG2' ' HB2' ' A' ' 42' ' ' PRO . 19.4 Cg_exo -40.68 128.44 2.59 Favored 'Trans proline' 0 N--CA 1.463 -0.279 0 C-N-CA 123.42 2.747 . . . . 15.0 111.966 167.367 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.7 tppp? -52.76 111.32 0.64 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.945 0.402 . . . . 15.0 111.004 -178.199 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 123.25 -19.58 7.65 Favored Glycine 0 N--CA 1.446 -0.668 0 CA-C-N 115.699 -0.682 . . . . 15.0 111.612 -178.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.648 ' HA ' ' O ' ' A' ' 30' ' ' ILE . 75.1 m95 -100.91 129.63 46.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.331 0.586 . . . . 15.0 111.239 179.493 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.415 ' O ' HG12 ' A' ' 30' ' ' ILE . 21.3 mt-10 -108.05 150.11 27.58 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.006 -0.997 . . . . 15.0 109.473 175.099 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.859 ' HB ' HD13 ' A' ' 13' ' ' LEU . 8.9 p -108.47 118.01 55.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 C-N-CA 120.063 -0.655 . . . . 15.0 110.784 177.728 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.546 ' HD2' ' CZ ' ' A' ' 28' ' ' PHE . 9.1 ttm180 -118.08 136.8 53.35 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.037 -0.727 . . . . 15.0 109.037 176.696 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 5.3 t-80 -90.13 123.7 34.19 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 120.619 -0.432 . . . . 15.0 110.07 -178.494 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.439 ' HB3' ' HD2' ' A' ' 23' ' ' PRO . . . -86.81 176.41 3.55 Favored Pre-proline 0 C--N 1.323 -0.575 0 CA-C-N 115.604 -0.725 . . . . 15.0 110.852 -177.842 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.439 ' HD2' ' HB3' ' A' ' 22' ' ' ALA . 32.9 Cg_exo -59.5 -23.0 68.96 Favored 'Trans proline' 0 C--N 1.355 0.872 0 C-N-CA 122.057 1.838 . . . . 15.0 110.912 168.869 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.452 ' C ' ' H ' ' A' ' 26' ' ' ARG . 42.2 m-80 -60.35 145.58 47.29 Favored 'General case' 0 CA--C 1.515 -0.368 0 CA-C-N 114.937 -1.029 . . . . 15.0 109.957 169.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.88 46.49 1.17 Allowed Glycine 0 N--CA 1.453 -0.226 0 N-CA-C 110.112 -1.195 . . . . 15.0 110.112 170.41 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.596 ' HG2' ' HE3' ' A' ' 39' ' ' TRP . 44.6 ttt180 -158.28 131.99 4.9 Favored Pre-proline 0 N--CA 1.44 -0.971 0 CA-C-N 114.426 -0.887 . . . . 15.0 109.502 -168.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 8.4 Cg_endo -89.45 131.44 2.05 Favored 'Trans proline' 0 N--CA 1.456 -0.724 0 C-N-CA 122.373 2.049 . . . . 15.0 111.617 172.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.546 ' CZ ' ' HD2' ' A' ' 20' ' ' ARG . 7.4 p90 -94.55 145.83 24.53 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.269 -0.573 . . . . 15.0 109.885 177.291 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -96.82 133.52 41.31 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.511 -0.768 . . . . 15.0 109.671 -178.383 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.648 ' O ' ' HA ' ' A' ' 17' ' ' TRP . 7.2 pt -132.35 123.78 50.75 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.539 0 N-CA-C 115.287 1.588 . . . . 15.0 115.287 -173.422 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.591 ' HB2' ' CE2' ' A' ' 17' ' ' TRP . 8.1 t70 -90.14 128.21 36.28 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 114.437 -1.256 . . . . 15.0 110.258 176.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 55.6 m-70 -91.68 -2.02 57.2 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.18 0.437 . . . . 15.0 112.18 -178.31 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 49.7 m-80 -81.34 -44.43 17.64 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.733 0.302 . . . . 15.0 110.375 -176.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 13.4 t -121.92 -0.19 9.6 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.188 -0.46 . . . . 15.0 110.782 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.822 ' HD3' ' HA ' ' B' ' 118' ' ' MET . 61.0 mttp 55.21 89.82 0.03 OUTLIER 'General case' 0 CA--C 1.526 0.055 0 CA-C-N 115.635 -0.711 . . . . 15.0 112.138 -176.301 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 39.1 m -146.46 134.03 20.95 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.58 -0.737 . . . . 15.0 110.693 176.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.739 HG22 ' HG2' ' B' ' 115' ' ' PRO . 37.8 p -96.87 129.07 44.37 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.456 -0.338 . . . . 15.0 111.277 178.448 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 68.7 p -122.56 135.59 54.67 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.884 -0.413 . . . . 15.0 109.884 174.301 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.596 ' HE3' ' HG2' ' A' ' 26' ' ' ARG . 97.1 m95 -87.72 -11.73 47.36 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.451 0.643 . . . . 15.0 109.305 174.655 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.7 mp0 -95.74 131.21 42.26 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.967 -1.015 . . . . 15.0 109.272 174.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -62.11 122.34 71.84 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 116.411 -0.359 . . . . 15.0 110.194 179.208 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.772 ' HB2' ' HG2' ' A' ' 14' ' ' PRO . 52.9 Cg_exo -56.81 -18.14 26.13 Favored 'Trans proline' 0 CA--C 1.535 0.544 0 C-N-CA 123.063 2.508 . . . . 15.0 114.463 -176.661 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 27.1 mtp180 -80.22 -19.46 46.89 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.801 -0.36 . . . . 15.0 110.741 178.505 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 92.9 mt -80.41 -11.53 59.68 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.288 -0.414 . . . . 15.0 110.914 178.445 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 25.9 mmtp -101.04 108.26 19.92 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.262 0.553 . . . . 15.0 111.027 179.181 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 5.8 tt . . . . . 0 C--O 1.25 1.102 0 CA-C-N 115.411 -0.813 . . . . 15.0 109.48 176.991 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 7.5 t . . . . . 0 N--CA 1.477 0.919 0 CA-C-O 120.811 0.339 . . . . 15.0 110.47 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 113' ' ' ALA . . . . . 0.792 ' HB3' ' HD3' ' B' ' 114' ' ' PRO . . . -65.89 -55.09 24.04 Favored Pre-proline 0 CA--C 1.534 0.354 0 CA-C-N 116.317 -0.401 . . . . 15.0 110.849 177.692 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 114' ' ' PRO . . . . . 0.792 ' HD3' ' HB3' ' B' ' 113' ' ' ALA . 2.0 Cg_endo -83.73 120.04 2.68 Favored 'Trans proline' 0 C--N 1.353 0.776 0 C-N-CA 122.386 2.057 . . . . 15.0 111.272 173.405 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 115' ' ' PRO . . . . . 0.739 ' HG2' HG22 ' A' ' 37' ' ' THR . 41.0 Cg_endo -68.97 143.99 56.64 Favored 'Trans proline' 0 C--O 1.236 0.378 0 C-N-CA 122.623 2.215 . . . . 15.0 111.999 179.003 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 116' ' ' GLU . . . . . 0.429 ' CD ' ' H ' ' B' ' 116' ' ' GLU . 1.4 pm0 -66.62 120.0 12.7 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.639 -0.504 . . . . 15.0 109.639 178.011 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 117' ' ' TYR . . . . . 0.627 ' CE2' ' HB ' ' A' ' 30' ' ' ILE . 1.0 OUTLIER -103.96 120.26 40.67 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.283 0.563 . . . . 15.0 112.244 -168.443 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 118' ' ' MET . . . . . 0.822 ' HA ' ' HD3' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -162.23 95.45 0.94 Allowed 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 115.251 -0.886 . . . . 15.0 109.632 165.451 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 119' ' ' GLU . . . . . 0.403 ' HG3' ' HE1' ' B' ' 117' ' ' TYR . 49.3 mt-10 -105.91 -87.37 0.46 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.438 0.637 . . . . 15.0 109.339 177.053 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.883 0 CA-C-N 114.916 -1.038 . . . . 15.0 108.47 176.348 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 37.5 p90 . . . . . 0 N--CA 1.484 1.242 0 CA-C-O 120.83 0.348 . . . . 15.0 111.076 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.53 ' H ' HD23 ' A' ' 13' ' ' LEU . 1.1 pt? -114.5 144.02 31.02 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-O 120.603 0.24 . . . . 15.0 111.02 -175.541 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.444 ' HG2' ' HB2' ' A' ' 42' ' ' PRO . 1.4 Cg_exo -33.15 131.57 0.11 Allowed 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 125.202 3.934 . . . . 15.0 114.942 176.163 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.414 ' HE2' ' HB3' ' A' ' 15' ' ' LYS . 3.3 tmmm? -62.07 118.7 7.67 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.032 -0.729 . . . . 15.0 109.032 172.114 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 121.49 -13.22 9.45 Favored Glycine 0 N--CA 1.446 -0.666 0 N-CA-C 111.349 -0.7 . . . . 15.0 111.349 -176.455 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.496 ' HA ' ' O ' ' A' ' 30' ' ' ILE . 73.1 m95 -108.92 121.95 46.19 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.419 0.628 . . . . 15.0 110.548 176.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.675 ' HB2' HG13 ' A' ' 30' ' ' ILE . 0.4 OUTLIER -89.96 150.09 22.3 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 114.572 -1.194 . . . . 15.0 110.276 178.497 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 10.3 p -100.64 106.59 19.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 122.255 1.026 . . . . 15.0 109.995 171.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.476 ' HB3' ' CE1' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -105.03 121.14 43.16 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 114.6 -1.182 . . . . 15.0 109.21 -177.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.455 ' HA ' ' HA ' ' A' ' 27' ' ' PRO . 9.0 t-80 -90.17 120.41 31.32 Favored 'General case' 0 C--N 1.317 -0.841 0 C-N-CA 120.105 -0.638 . . . . 15.0 110.728 -176.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.488 ' C ' ' H ' ' A' ' 24' ' ' ASN . . . -98.37 161.19 26.11 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-N 116.115 -0.493 . . . . 15.0 110.854 -179.495 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.4 ' HD2' ' HB2' ' A' ' 22' ' ' ALA . 40.0 Cg_endo -68.58 14.1 0.2 Allowed 'Trans proline' 0 C--N 1.349 0.582 0 C-N-CA 123.107 2.538 . . . . 15.0 112.459 174.627 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.622 ' OD1' ' HA ' ' B' ' 112' ' ' THR . 43.1 m-80 -84.05 8.61 14.84 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.537 -0.756 . . . . 15.0 109.896 174.717 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 60.15 27.77 65.59 Favored Glycine 0 CA--C 1.505 -0.59 0 N-CA-C 109.702 -1.359 . . . . 15.0 109.702 -171.113 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.622 ' HG2' ' HE3' ' A' ' 39' ' ' TRP . 55.7 ttt180 -150.08 137.74 11.77 Favored Pre-proline 0 N--CA 1.44 -0.934 0 CA-C-N 114.866 -0.667 . . . . 15.0 110.577 -168.403 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.455 ' HA ' ' HA ' ' A' ' 21' ' ' HIS . 10.0 Cg_endo -89.51 125.73 1.47 Allowed 'Trans proline' 0 N--CA 1.454 -0.84 0 C-N-CA 122.479 2.12 . . . . 15.0 112.19 172.612 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.476 ' CE1' ' HB3' ' A' ' 20' ' ' ARG . 27.0 p90 -97.74 140.09 32.64 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.148 -0.686 . . . . 15.0 109.148 175.543 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -90.05 137.48 32.31 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.979 -0.555 . . . . 15.0 110.126 -174.5 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.675 HG13 ' HB2' ' A' ' 18' ' ' GLU . 3.6 pt -132.95 123.98 49.41 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.583 0 N-CA-C 116.758 2.133 . . . . 15.0 116.758 -171.006 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.08 130.96 36.18 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 114.098 -1.41 . . . . 15.0 109.54 172.641 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 45.1 m-70 -99.56 -1.9 37.1 Favored 'General case' 0 C--N 1.317 -0.812 0 C-N-CA 120.648 -0.421 . . . . 15.0 111.85 -178.347 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 37.0 m-80 -78.9 -42.5 27.01 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 120.729 0.3 . . . . 15.0 111.053 -176.101 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.7 t -127.44 11.78 6.89 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.658 0.266 . . . . 15.0 110.685 179.624 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.441 ' HD2' ' CE1' ' B' ' 117' ' ' TYR . 47.5 mmtm 54.13 72.58 0.44 Allowed 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 115.716 -0.675 . . . . 15.0 111.738 -177.781 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 15.9 p -135.2 147.53 49.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.936 -0.575 . . . . 15.0 110.493 175.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.1 t -136.52 150.09 48.47 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.722 0.296 . . . . 15.0 111.291 -174.348 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -143.65 149.97 38.06 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.356 -0.609 . . . . 15.0 109.356 177.656 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.622 ' HE3' ' HG2' ' A' ' 26' ' ' ARG . 83.8 m95 -97.4 -10.5 25.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.861 0.362 . . . . 15.0 111.132 -177.257 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 20.4 mp0 -78.34 -93.94 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.877 -0.601 . . . . 15.0 109.819 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.497 ' O ' ' HG ' ' A' ' 44' ' ' LEU . 6.5 p-10 -177.02 122.82 0.28 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 115.714 -0.676 . . . . 15.0 109.244 173.054 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.444 ' HB2' ' HG2' ' A' ' 14' ' ' PRO . 12.1 Cg_endo -56.56 -9.47 3.86 Favored 'Trans proline' 0 C--O 1.22 -0.376 0 C-N-CA 123.692 2.928 . . . . 15.0 114.738 -177.146 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.4 ' HB2' ' OD2' ' A' ' 41' ' ' ASP . 86.1 mtm180 -57.65 -20.14 31.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 118.037 0.38 . . . . 15.0 110.84 179.324 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.497 ' HG ' ' O ' ' A' ' 41' ' ' ASP . 3.9 pp -80.02 -13.87 58.99 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.29 -0.414 . . . . 15.0 111.956 177.228 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 55.9 tttp -142.52 118.96 10.92 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 121.329 0.585 . . . . 15.0 112.226 -177.604 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 5.8 tp . . . . . 0 C--O 1.247 0.932 0 CA-C-N 115.411 -0.813 . . . . 15.0 109.363 175.385 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 112' ' ' THR . . . . . 0.622 ' HA ' ' OD1' ' A' ' 24' ' ' ASN . 15.0 t . . . . . 0 N--CA 1.478 0.936 0 N-CA-C 109.702 -0.481 . . . . 15.0 109.702 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 113' ' ' ALA . . . . . . . . . . . . . . . -156.41 138.97 10.49 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-O 120.787 0.327 . . . . 15.0 111.595 -177.361 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 114' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_endo -67.88 129.97 20.79 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.92 2.413 . . . . 15.0 111.963 176.546 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 115' ' ' PRO . . . . . 0.46 ' HD3' ' HZ2' ' A' ' 39' ' ' TRP . 91.1 Cg_endo -79.52 143.11 16.84 Favored 'Trans proline' 0 C--O 1.235 0.346 0 C-N-CA 122.684 2.256 . . . . 15.0 111.939 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -66.38 120.04 12.64 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.285 -0.635 . . . . 15.0 109.285 176.344 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 117' ' ' TYR . . . . . 0.611 ' HD1' ' N ' ' B' ' 118' ' ' MET . 0.6 OUTLIER -84.49 119.89 25.68 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.295 0.569 . . . . 15.0 111.843 -170.917 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 118' ' ' MET . . . . . 0.611 ' N ' ' HD1' ' B' ' 117' ' ' TYR . 51.3 tpp -170.05 95.45 0.26 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 114.753 -1.112 . . . . 15.0 109.231 164.349 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -158.97 123.35 4.01 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.194 -0.912 . . . . 15.0 109.664 -177.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.93 0 CA-C-O 118.419 -0.8 . . . . 15.0 111.597 179.9 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 37.5 p90 . . . . . 0 N--CA 1.478 0.966 0 CA-C-O 121.08 0.467 . . . . 15.0 109.961 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -141.53 155.75 66.95 Favored Pre-proline 0 C--N 1.321 -0.649 0 CA-C-N 116.383 -0.371 . . . . 15.0 111.244 -177.848 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.984 ' HD3' ' HB3' ' A' ' 43' ' ' ARG . 46.8 Cg_exo -40.22 131.92 2.24 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 124.264 3.309 . . . . 15.0 113.848 175.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.573 ' H ' ' HD3' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -61.58 121.43 12.73 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.829 -0.623 . . . . 15.0 110.672 176.668 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 116.97 -18.02 12.65 Favored Glycine 0 N--CA 1.447 -0.602 0 N-CA-C 111.084 -0.806 . . . . 15.0 111.084 -175.394 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.631 ' CD1' ' HB2' ' A' ' 14' ' ' PRO . 62.3 m95 -102.43 134.52 45.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.332 0.587 . . . . 15.0 110.602 179.62 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.434 ' HB2' HG13 ' A' ' 30' ' ' ILE . 53.8 mm-40 -102.23 149.62 24.12 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.076 -0.966 . . . . 15.0 109.615 174.357 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 8.9 p -104.72 127.25 59.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-O 121.417 0.627 . . . . 15.0 109.459 171.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 43.4 ttm180 -130.65 133.54 46.21 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 109.12 -0.696 . . . . 15.0 109.12 178.621 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.406 ' HA ' ' HA ' ' A' ' 27' ' ' PRO . 5.7 t-80 -89.83 116.19 27.73 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-O 120.904 0.383 . . . . 15.0 110.255 -176.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.455 ' C ' ' H ' ' A' ' 24' ' ' ASN . . . -91.81 160.51 35.99 Favored Pre-proline 0 C--N 1.322 -0.609 0 CA-C-N 115.837 -0.619 . . . . 15.0 110.532 -178.845 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_exo -62.2 2.77 0.56 Allowed 'Trans proline' 0 C--N 1.352 0.736 0 C-N-CA 123.042 2.495 . . . . 15.0 112.412 175.14 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.455 ' H ' ' C ' ' A' ' 22' ' ' ALA . 3.6 t-20 -71.8 -5.05 31.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.558 -0.747 . . . . 15.0 110.406 175.153 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 69.27 28.93 72.17 Favored Glycine 0 N--CA 1.446 -0.69 0 N-CA-C 109.278 -1.529 . . . . 15.0 109.278 -170.068 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.543 ' HG2' ' HE3' ' A' ' 39' ' ' TRP . 36.7 ttt180 -149.39 139.37 13.27 Favored Pre-proline 0 N--CA 1.44 -0.93 0 CA-C-N 114.55 -0.825 . . . . 15.0 110.835 -169.273 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.406 ' HA ' ' HA ' ' A' ' 21' ' ' HIS . 9.8 Cg_endo -89.52 126.15 1.51 Allowed 'Trans proline' 0 N--CA 1.453 -0.889 0 C-N-CA 122.485 2.123 . . . . 15.0 111.589 172.42 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 12.7 p90 -103.2 137.58 41.16 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.779 -0.452 . . . . 15.0 109.779 178.654 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -89.65 135.7 33.46 Favored 'General case' 0 CA--C 1.51 -0.584 0 CA-C-N 115.845 -0.616 . . . . 15.0 109.747 -175.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 1.067 ' HB ' ' HE2' ' B' ' 117' ' ' TYR . 19.2 pt -137.49 123.16 26.0 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.522 0 N-CA-C 115.346 1.61 . . . . 15.0 115.346 -172.816 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.591 ' HB2' ' CE2' ' A' ' 17' ' ' TRP . 8.8 t70 -90.05 126.11 35.65 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 115.087 -0.96 . . . . 15.0 110.84 178.237 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 67.9 m-70 -87.4 -14.49 40.47 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.36 -0.382 . . . . 15.0 111.197 -178.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 51.7 m-80 -72.49 -60.4 2.25 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.775 0.321 . . . . 15.0 111.185 -174.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 73.4 p -103.32 2.85 34.65 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.814 -0.63 . . . . 15.0 111.225 -174.497 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 48.5 mmtm 60.49 76.42 0.37 Allowed 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 115.93 -0.577 . . . . 15.0 110.966 -179.062 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 14.4 t -149.95 150.39 31.78 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 116.118 -0.492 . . . . 15.0 110.684 -179.612 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.2 t -134.38 150.05 50.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.034 0.445 . . . . 15.0 111.376 -177.175 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.514 HG22 ' CZ3' ' A' ' 17' ' ' TRP . 4.4 t -145.95 142.95 29.19 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.862 -0.608 . . . . 15.0 110.547 177.686 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.543 ' HE3' ' HG2' ' A' ' 26' ' ' ARG . 85.7 m95 -86.88 -14.38 42.13 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.035 0.445 . . . . 15.0 110.1 177.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -104.84 138.44 41.09 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.569 -0.741 . . . . 15.0 109.716 178.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -52.93 115.46 7.41 Favored Pre-proline 0 N--CA 1.465 0.296 0 O-C-N 123.615 0.572 . . . . 15.0 112.033 -178.52 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.609 ' HG2' ' HG2' ' A' ' 14' ' ' PRO . 37.8 Cg_endo -71.32 -12.27 29.61 Favored 'Trans proline' 0 N--CA 1.461 -0.427 0 C-N-CA 121.605 1.537 . . . . 15.0 112.026 173.524 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.984 ' HB3' ' HD3' ' A' ' 14' ' ' PRO . 4.9 ppt_? -80.1 -16.0 55.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.349 0.595 . . . . 15.0 109.54 173.277 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.423 HD13 ' O ' ' A' ' 44' ' ' LEU . 3.2 tm? -79.93 -36.58 36.1 Favored 'General case' 0 N--CA 1.444 -0.772 0 CA-C-N 115.273 -0.876 . . . . 15.0 108.969 174.292 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.55 98.82 9.37 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 120.163 -0.615 . . . . 15.0 110.992 -177.592 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 66.7 mt . . . . . 0 C--O 1.247 0.963 0 CA-C-O 118.166 -0.921 . . . . 15.0 109.45 177.303 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 1.7 p . . . . . 0 N--CA 1.475 0.813 0 CA-C-O 121.056 0.455 . . . . 15.0 110.512 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 113' ' ' ALA . . . . . . . . . . . . . . . -131.81 129.21 21.89 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 116.132 -0.485 . . . . 15.0 110.913 -177.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 114' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -66.3 122.82 10.39 Favored 'Trans proline' 0 C--O 1.234 0.31 0 C-N-CA 122.696 2.264 . . . . 15.0 111.998 177.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 115' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -69.07 133.63 27.34 Favored 'Trans proline' 0 C--O 1.234 0.322 0 C-N-CA 122.777 2.318 . . . . 15.0 112.252 -179.34 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -56.72 122.37 11.96 Favored 'General case' 0 C--O 1.233 0.197 0 N-CA-C 109.26 -0.644 . . . . 15.0 109.26 173.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 117' ' ' TYR . . . . . 1.067 ' HE2' ' HB ' ' A' ' 30' ' ' ILE . 9.2 t80 -95.41 123.09 38.77 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 112.902 0.704 . . . . 15.0 112.902 -166.634 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 118' ' ' MET . . . . . . . . . . . . . 14.1 tpt -161.45 80.53 0.59 Allowed 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 114.835 -1.075 . . . . 15.0 108.214 162.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 40.8 mm-40 -119.01 124.77 47.79 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 114.082 -1.417 . . . . 15.0 111.235 -170.411 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.058 0 CA-C-N 115.408 -0.815 . . . . 15.0 108.893 174.08 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 69.1 t80 . . . . . 0 N--CA 1.479 0.979 0 CA-C-O 120.847 0.356 . . . . 15.0 110.836 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.628 ' HB2' ' HD2' ' A' ' 14' ' ' PRO . 1.5 pp -137.47 171.53 8.35 Favored Pre-proline 0 C--N 1.327 -0.37 0 O-C-N 122.298 -0.251 . . . . 15.0 110.749 -179.085 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.628 ' HD2' ' HB2' ' A' ' 13' ' ' LEU . 25.3 Cg_exo -40.5 136.67 1.74 Allowed 'Trans proline' 0 C--N 1.353 0.768 0 C-N-CA 123.673 2.916 . . . . 15.0 113.609 177.343 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.8 ptpp? -68.27 -13.07 61.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.274 -0.421 . . . . 15.0 111.05 -179.392 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -82.53 -20.84 61.18 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.94 -0.647 . . . . 15.0 112.155 178.089 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.559 ' HA ' ' O ' ' A' ' 30' ' ' ILE . 74.3 m95 -108.31 142.5 38.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.204 0.526 . . . . 15.0 110.344 -178.529 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.67 ' HB2' ' HE2' ' A' ' 32' ' ' HIS . 11.2 tp10 -115.57 149.97 37.38 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 109.093 -0.706 . . . . 15.0 109.093 174.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.436 ' O ' HG12 ' A' ' 19' ' ' VAL . 7.5 p -103.17 91.61 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-O 121.768 0.794 . . . . 15.0 110.449 179.588 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.602 ' HD2' ' CZ ' ' A' ' 28' ' ' PHE . 11.6 ttm180 -95.24 123.6 38.84 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.858 -0.793 . . . . 15.0 108.858 179.254 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.471 ' HA ' ' HA ' ' A' ' 27' ' ' PRO . 18.6 t-80 -89.94 127.65 36.07 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.072 0.463 . . . . 15.0 110.838 -172.831 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.446 ' C ' ' H ' ' A' ' 24' ' ' ASN . . . -101.63 161.32 23.89 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 115.785 -0.643 . . . . 15.0 110.974 -178.038 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_exo -66.99 6.86 0.51 Allowed 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 123.147 2.565 . . . . 15.0 111.973 173.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.446 ' H ' ' C ' ' A' ' 22' ' ' ALA . 2.7 t-20 -74.66 0.54 14.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.756 -0.656 . . . . 15.0 110.112 175.402 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 65.17 26.37 71.51 Favored Glycine 0 N--CA 1.445 -0.723 0 N-CA-C 109.377 -1.489 . . . . 15.0 109.377 -170.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.568 ' HG2' ' HE3' ' A' ' 39' ' ' TRP . 15.8 ttp180 -145.51 138.89 14.36 Favored Pre-proline 0 N--CA 1.443 -0.81 0 CA-C-N 114.25 -0.975 . . . . 15.0 110.507 -171.732 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.471 ' HA ' ' HA ' ' A' ' 21' ' ' HIS . 4.9 Cg_endo -89.54 123.41 1.24 Allowed 'Trans proline' 0 N--CA 1.452 -0.967 0 C-N-CA 122.442 2.095 . . . . 15.0 111.452 169.679 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.602 ' CZ ' ' HD2' ' A' ' 20' ' ' ARG . 14.9 p90 -94.58 140.19 30.18 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 120.127 -0.629 . . . . 15.0 109.473 176.54 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 78.9 m-85 -90.6 132.53 35.68 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.035 -0.53 . . . . 15.0 109.938 -177.223 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.877 ' HB ' ' HE2' ' B' ' 117' ' ' TYR . 15.2 pt -133.57 126.4 51.59 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 N-CA-C 114.644 1.35 . . . . 15.0 114.644 -175.765 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.482 ' HB2' ' CE2' ' A' ' 17' ' ' TRP . 17.0 t70 -90.28 128.47 36.43 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-N 115.205 -0.907 . . . . 15.0 110.155 178.254 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.67 ' HE2' ' HB2' ' A' ' 18' ' ' GLU . 80.4 m-70 -88.25 -12.09 44.67 Favored 'General case' 0 N--CA 1.462 0.16 0 O-C-N 124.032 0.832 . . . . 15.0 111.464 -176.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 34.1 m-80 -78.82 -33.92 45.69 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.675 0.75 . . . . 15.0 109.602 -176.125 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 41.0 m -149.76 110.78 4.35 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 114.762 -1.108 . . . . 15.0 108.236 172.48 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.57 ' HB3' ' HB3' ' B' ' 117' ' ' TYR . 61.3 mttp -34.91 98.98 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.265 0 O-C-N 124.304 1.003 . . . . 15.0 113.009 -174.582 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.416 ' O ' ' HA ' ' A' ' 30' ' ' ILE . 38.1 m -138.59 137.51 37.04 Favored 'General case' 0 CA--C 1.531 0.245 0 N-CA-C 112.103 0.409 . . . . 15.0 112.103 178.504 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.8 p -119.9 127.25 52.52 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.893 -0.594 . . . . 15.0 110.826 176.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 71.7 p -128.59 144.34 51.13 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 121.133 -0.227 . . . . 15.0 110.497 175.364 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.568 ' HE3' ' HG2' ' A' ' 26' ' ' ARG . 94.7 m95 -93.73 -11.28 31.79 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 108.719 -0.845 . . . . 15.0 108.719 173.489 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -108.3 138.64 44.25 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.635 -1.166 . . . . 15.0 109.603 177.227 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.446 ' OD1' ' HB2' ' A' ' 43' ' ' ARG . 12.8 t70 -63.2 123.18 79.55 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-N 116.255 -0.429 . . . . 15.0 111.446 -175.801 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -71.59 -10.08 26.1 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 123.404 2.736 . . . . 15.0 114.536 -175.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.446 ' HB2' ' OD1' ' A' ' 41' ' ' ASP . 79.6 mtm180 -65.26 -15.83 62.91 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 118.229 0.468 . . . . 15.0 110.63 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 95.3 mt -80.07 -11.77 59.74 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.955 -0.566 . . . . 15.0 110.751 174.378 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.2 tppp? -103.08 -19.28 14.61 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.06 0.457 . . . . 15.0 110.938 -178.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 14.9 pt . . . . . 0 C--O 1.25 1.095 0 CA-C-O 118.107 -0.949 . . . . 15.0 110.981 -179.302 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 39.5 m . . . . . 0 N--CA 1.475 0.786 0 CA-C-O 120.847 0.356 . . . . 15.0 110.245 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 113' ' ' ALA . . . . . . . . . . . . . . . -132.88 159.31 73.11 Favored Pre-proline 0 C--N 1.325 -0.481 0 CA-C-N 116.195 -0.457 . . . . 15.0 110.94 -176.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 114' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -60.16 126.19 19.54 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.639 2.226 . . . . 15.0 111.808 175.162 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 115' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -66.35 139.78 55.82 Favored 'Trans proline' 0 N--CA 1.465 -0.189 0 C-N-CA 122.662 2.242 . . . . 15.0 111.774 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -67.21 120.03 13.09 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.955 0.407 . . . . 15.0 110.023 178.19 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 117' ' ' TYR . . . . . 0.877 ' HE2' ' HB ' ' A' ' 30' ' ' ILE . 0.9 OUTLIER -74.31 119.68 18.84 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.424 -0.353 . . . . 15.0 110.116 -177.36 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 118' ' ' MET . . . . . . . . . . . . . 86.4 mmm -156.13 104.71 2.28 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.445 -0.798 . . . . 15.0 109.364 173.435 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -122.49 -14.2 7.85 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 109.112 -0.699 . . . . 15.0 109.112 173.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.244 0.807 0 CA-C-N 114.946 -1.024 . . . . 15.0 109.323 -178.981 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 66.8 t80 . . . . . 0 N--CA 1.478 0.926 0 CA-C-O 121.019 0.438 . . . . 15.0 110.572 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.559 ' HB3' ' HD2' ' A' ' 14' ' ' PRO . 4.1 mp -145.4 177.94 1.6 Allowed Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 108.987 -0.745 . . . . 15.0 108.987 178.472 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 1.028 ' HG2' ' HG2' ' A' ' 42' ' ' PRO . 12.0 Cg_exo -43.75 -131.35 0.0 OUTLIER 'Trans proline' 0 CA--C 1.545 1.027 0 C-N-CA 123.891 3.06 . . . . 15.0 114.216 160.382 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.9 tmtm? -144.06 118.05 9.42 Favored 'General case' 0 C--N 1.329 -0.313 0 O-C-N 121.76 -0.588 . . . . 15.0 109.549 176.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 100.32 1.23 55.71 Favored Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 120.798 -0.715 . . . . 15.0 111.836 179.256 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.529 ' HA ' ' O ' ' A' ' 30' ' ' ILE . 89.1 m95 -104.83 125.56 51.0 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.369 0.604 . . . . 15.0 110.907 -179.486 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.538 ' HB2' HG13 ' A' ' 30' ' ' ILE . 32.9 mm-40 -97.39 149.95 21.56 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 115.008 -0.996 . . . . 15.0 109.342 175.119 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 7.3 p -99.09 108.44 22.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-O 121.607 0.717 . . . . 15.0 110.351 177.662 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.574 ' HD2' ' CZ ' ' A' ' 28' ' ' PHE . 37.2 ttm-85 -109.69 126.9 54.18 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.926 -0.579 . . . . 15.0 109.688 179.079 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.426 ' HE1' ' HA2' ' A' ' 25' ' ' GLY . 5.1 t-80 -93.83 124.09 37.6 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.321 -0.4 . . . . 15.0 110.519 -176.659 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.459 ' HB2' ' HD2' ' A' ' 23' ' ' PRO . . . -83.25 179.31 1.98 Allowed Pre-proline 0 C--N 1.325 -0.458 0 CA-C-N 115.979 -0.555 . . . . 15.0 110.288 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.459 ' HD2' ' HB2' ' A' ' 22' ' ' ALA . 31.9 Cg_exo -61.1 -14.08 31.46 Favored 'Trans proline' 0 C--N 1.353 0.812 0 C-N-CA 121.967 1.778 . . . . 15.0 111.092 167.598 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 43.3 t-20 -77.69 137.93 38.78 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 114.941 -1.027 . . . . 15.0 108.348 170.341 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.426 ' HA2' ' HE1' ' A' ' 21' ' ' HIS . . . -57.38 -15.09 14.79 Favored Glycine 0 C--N 1.335 0.483 0 N-CA-C 110.964 -0.854 . . . . 15.0 110.964 173.148 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.509 ' HG2' ' CE3' ' A' ' 39' ' ' TRP . 9.7 tpt180 -72.65 129.9 86.33 Favored Pre-proline 0 N--CA 1.44 -0.927 0 CA-C-N 114.314 -0.943 . . . . 15.0 111.449 173.058 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo -89.59 135.92 2.6 Favored 'Trans proline' 0 N--CA 1.461 -0.383 0 C-N-CA 122.844 2.362 . . . . 15.0 111.356 168.033 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.574 ' CZ ' ' HD2' ' A' ' 20' ' ' ARG . 52.3 p90 -110.6 150.07 29.49 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 120.658 -0.417 . . . . 15.0 110.081 178.025 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 74.5 m-85 -97.84 141.3 31.0 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.831 -0.622 . . . . 15.0 110.99 -172.376 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.729 ' HB ' ' CE2' ' B' ' 117' ' ' TYR . 10.7 pt -134.05 126.35 49.88 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.319 0 N-CA-C 114.579 1.325 . . . . 15.0 114.579 -177.169 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -94.59 130.01 41.21 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 114.695 -1.139 . . . . 15.0 111.318 179.531 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 43.4 m-70 -96.61 3.92 52.26 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.722 -0.672 . . . . 15.0 111.867 -177.507 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 48.5 m-80 -86.46 -40.71 15.06 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.768 -0.373 . . . . 15.0 111.148 -177.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.8 t -138.18 21.76 2.79 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 116.725 -0.216 . . . . 15.0 111.55 -176.245 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 58.5 mttp 49.93 70.75 0.46 Allowed 'General case' 0 C--O 1.233 0.22 0 CA-C-O 121.302 0.572 . . . . 15.0 112.146 -178.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 21.6 p -132.31 150.06 52.23 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.626 -0.715 . . . . 15.0 110.323 178.552 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.1 t -137.61 149.95 47.04 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.999 0.428 . . . . 15.0 110.858 -177.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 7.7 t -150.06 146.31 26.88 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.95 -0.568 . . . . 15.0 109.876 179.416 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.509 ' CE3' ' HG2' ' A' ' 26' ' ' ARG . 92.4 m95 -88.0 -36.3 17.11 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 109.957 -0.386 . . . . 15.0 109.957 178.714 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.611 ' HB3' HD23 ' A' ' 44' ' ' LEU . 74.1 mm-40 -82.57 131.34 35.21 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.709 -0.848 . . . . 15.0 108.709 173.523 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.748 ' O ' ' HG ' ' A' ' 44' ' ' LEU . 11.4 t0 -52.61 122.93 28.61 Favored Pre-proline 0 C--N 1.33 -0.275 0 O-C-N 123.542 0.526 . . . . 15.0 110.621 -176.85 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 1.028 ' HG2' ' HG2' ' A' ' 14' ' ' PRO . 15.0 Cg_endo -57.47 -9.85 5.83 Favored 'Trans proline' 0 CA--C 1.528 0.211 0 C-N-CA 123.692 2.928 . . . . 15.0 114.2 -177.505 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.576 ' HG3' ' HD3' ' A' ' 14' ' ' PRO . 61.9 mtt180 -61.09 -31.11 70.8 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.573 -0.451 . . . . 15.0 110.754 174.852 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.748 ' HG ' ' O ' ' A' ' 41' ' ' ASP . 4.2 pp -80.3 -15.6 56.55 Favored 'General case' 0 C--O 1.233 0.233 0 C-N-CA 120.918 -0.313 . . . . 15.0 111.396 178.174 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.47 ' HE2' ' HB3' ' A' ' 45' ' ' LYS . 32.5 ttpt -173.94 112.26 0.18 Allowed 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.477 -0.328 . . . . 15.0 110.68 -178.645 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 4.3 tp . . . . . 0 C--O 1.248 1.016 0 CA-C-N 116.189 -0.459 . . . . 15.0 110.03 177.249 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 14.7 t . . . . . 0 N--CA 1.475 0.812 0 N-CA-C 110.218 -0.29 . . . . 15.0 110.218 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 113' ' ' ALA . . . . . 0.687 ' HB1' ' HD3' ' B' ' 114' ' ' PRO . . . -72.34 -54.32 5.54 Favored Pre-proline 0 CA--C 1.537 0.444 0 N-CA-C 111.993 0.368 . . . . 15.0 111.993 -178.017 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 114' ' ' PRO . . . . . 0.687 ' HD3' ' HB1' ' B' ' 113' ' ' ALA . 17.4 Cg_exo -67.83 119.95 6.96 Favored 'Trans proline' 0 C--N 1.355 0.917 0 C-N-CA 121.788 1.659 . . . . 15.0 112.121 178.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 115' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -79.11 143.6 17.96 Favored 'Trans proline' 0 N--CA 1.463 -0.307 0 C-N-CA 122.849 2.366 . . . . 15.0 112.236 179.573 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 116' ' ' GLU . . . . . 0.437 ' H ' ' CD ' ' B' ' 116' ' ' GLU . 1.0 OUTLIER -70.1 133.79 47.52 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 108.93 -0.767 . . . . 15.0 108.93 176.29 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 117' ' ' TYR . . . . . 0.729 ' CE2' ' HB ' ' A' ' 30' ' ' ILE . 0.8 OUTLIER -100.05 123.43 44.28 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 121.046 0.45 . . . . 15.0 111.402 -175.461 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 118' ' ' MET . . . . . . . . . . . . . 13.1 tpt -170.99 99.64 0.21 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.293 -0.867 . . . . 15.0 109.654 169.463 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -113.22 -54.94 2.58 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.191 -0.67 . . . . 15.0 109.191 175.06 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.066 0 CA-C-N 115.134 -0.939 . . . . 15.0 109.085 175.569 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 88.0 t80 . . . . . 0 N--CA 1.478 0.972 0 CA-C-O 121.108 0.48 . . . . 15.0 111.037 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.686 ' HB2' ' HD2' ' A' ' 14' ' ' PRO . 0.8 OUTLIER -163.79 176.82 2.05 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-N 115.221 -0.9 . . . . 15.0 108.583 174.234 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.686 ' HD2' ' HB2' ' A' ' 13' ' ' LEU . 42.9 Cg_exo -43.84 126.4 5.82 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.671 2.248 . . . . 15.0 112.131 173.668 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -69.45 -3.8 15.95 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.448 -0.342 . . . . 15.0 111.852 -173.437 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -92.39 -16.49 49.56 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 121.145 -0.55 . . . . 15.0 112.208 176.04 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.523 ' HA ' ' O ' ' A' ' 30' ' ' ILE . 64.2 m95 -100.27 135.16 42.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.144 0.497 . . . . 15.0 110.26 179.26 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.457 ' O ' HG12 ' A' ' 30' ' ' ILE . 18.5 mm-40 -100.62 130.77 46.72 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 116.086 -0.506 . . . . 15.0 110.023 175.611 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.43 HG12 ' O ' ' A' ' 19' ' ' VAL . 8.3 p -89.73 96.69 6.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-O 121.656 0.741 . . . . 15.0 109.751 175.002 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.559 ' HB3' ' CE1' ' A' ' 28' ' ' PHE . 4.4 tpp180 -99.53 126.61 45.52 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.867 -0.606 . . . . 15.0 109.824 -177.296 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.414 ' HA ' ' HA ' ' A' ' 27' ' ' PRO . 8.8 t-80 -89.94 110.94 21.87 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.199 0.523 . . . . 15.0 110.381 -173.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.43 ' C ' ' H ' ' A' ' 24' ' ' ASN . . . -89.51 161.29 39.94 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 115.508 -0.769 . . . . 15.0 111.033 -176.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_exo -67.48 12.53 0.19 Allowed 'Trans proline' 0 C--N 1.352 0.725 0 C-N-CA 123.457 2.771 . . . . 15.0 113.136 178.469 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.542 ' HB3' ' HB3' ' A' ' 26' ' ' ARG . 62.7 t30 -85.37 0.38 52.31 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-O 121.197 0.522 . . . . 15.0 110.165 176.684 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 66.83 21.28 71.17 Favored Glycine 0 N--CA 1.446 -0.645 0 N-CA-C 109.259 -1.537 . . . . 15.0 109.259 -166.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.827 ' HG2' ' HE3' ' A' ' 39' ' ' TRP . 44.1 ttp180 -142.15 129.18 11.24 Favored Pre-proline 0 N--CA 1.442 -0.853 0 CA-C-N 113.934 -1.133 . . . . 15.0 109.219 -171.844 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.414 ' HA ' ' HA ' ' A' ' 21' ' ' HIS . 18.0 Cg_endo -89.44 130.23 1.94 Allowed 'Trans proline' 0 N--CA 1.455 -0.771 0 C-N-CA 122.296 1.998 . . . . 15.0 112.286 176.845 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.559 ' CE1' ' HB3' ' A' ' 20' ' ' ARG . 9.8 p90 -93.49 136.58 33.63 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-O 121.546 0.689 . . . . 15.0 109.867 176.592 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 67.4 m-85 -89.96 130.7 36.13 Favored 'General case' 0 C--N 1.317 -0.804 0 CA-C-N 115.108 -0.951 . . . . 15.0 108.855 -178.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.964 ' HB ' ' HE2' ' B' ' 117' ' ' TYR . 19.5 pt -133.37 127.93 54.54 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.648 0 N-CA-C 115.296 1.591 . . . . 15.0 115.296 -173.147 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.473 ' HB2' ' CE2' ' A' ' 17' ' ' TRP . 9.8 t70 -93.77 132.87 37.73 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 114.252 -1.34 . . . . 15.0 110.154 176.025 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 50.7 m-70 -91.37 -10.22 41.99 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.246 -0.434 . . . . 15.0 111.572 -175.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 37.4 m-80 -81.81 -48.04 12.09 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.889 0.376 . . . . 15.0 111.052 -172.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.463 HG22 ' OD2' ' A' ' 31' ' ' ASP . 15.4 t -115.46 10.08 15.65 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.12 -0.491 . . . . 15.0 111.919 -173.517 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.828 ' HG3' ' HD1' ' B' ' 117' ' ' TYR . 9.9 mptt 53.69 83.5 0.07 Allowed 'General case' 0 CA--C 1.53 0.18 0 CA-C-O 121.193 0.52 . . . . 15.0 111.83 -177.699 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 89.7 m -145.64 132.74 20.38 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.231 -0.44 . . . . 15.0 111.434 179.571 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.712 HG21 ' HD2' ' B' ' 115' ' ' PRO . 18.0 m -114.95 130.07 56.85 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.589 -0.732 . . . . 15.0 109.825 176.476 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.672 ' OG1' ' HG2' ' A' ' 40' ' ' GLU . 14.8 t -142.05 150.08 40.78 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.626 -0.429 . . . . 15.0 111.677 -179.447 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.827 ' HE3' ' HG2' ' A' ' 26' ' ' ARG . 17.4 m95 -113.86 -6.08 13.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.24 -0.436 . . . . 15.0 110.132 179.48 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.672 ' HG2' ' OG1' ' A' ' 38' ' ' THR . 11.8 pt-20 -82.38 -7.4 59.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 15.0 111.51 -173.594 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.427 ' OD1' ' HB2' ' A' ' 43' ' ' ARG . 11.5 t70 66.2 105.2 0.03 OUTLIER Pre-proline 0 N--CA 1.469 0.478 0 O-C-N 123.983 0.802 . . . . 15.0 110.707 -179.21 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -69.96 -11.76 31.2 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.149 1.9 . . . . 15.0 113.023 -177.574 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.668 ' HD3' ' HD3' ' A' ' 14' ' ' PRO . 27.7 mmm180 -77.65 -12.63 59.99 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.328 -0.619 . . . . 15.0 109.328 178.201 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -80.05 -14.33 58.62 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.222 -0.899 . . . . 15.0 110.391 170.136 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.437 ' HD2' ' N ' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -90.42 -7.52 52.91 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 120.38 -0.528 . . . . 15.0 112.291 -177.565 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.953 0 CA-C-O 119.235 -0.412 . . . . 15.0 110.259 171.32 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 38.3 m . . . . . 0 N--CA 1.477 0.905 0 CA-C-O 120.97 0.415 . . . . 15.0 110.574 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 113' ' ' ALA . . . . . 0.616 ' HB2' ' HD2' ' B' ' 114' ' ' PRO . . . -83.49 168.18 23.99 Favored Pre-proline 0 C--N 1.323 -0.555 0 CA-C-N 115.768 -0.651 . . . . 15.0 110.183 179.441 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 114' ' ' PRO . . . . . 0.616 ' HD2' ' HB2' ' B' ' 113' ' ' ALA . 8.1 Cg_endo -51.07 120.07 6.23 Favored 'Trans proline' 0 C--N 1.351 0.675 0 C-N-CA 122.708 2.272 . . . . 15.0 112.961 176.48 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 115' ' ' PRO . . . . . 0.712 ' HD2' HG21 ' A' ' 37' ' ' THR . 4.0 Cg_exo -77.21 135.64 15.37 Favored 'Trans proline' 0 N--CA 1.459 -0.546 0 C-N-CA 123.415 2.743 . . . . 15.0 111.348 178.177 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -57.98 120.23 8.17 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.324 -0.621 . . . . 15.0 109.324 177.132 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 117' ' ' TYR . . . . . 0.964 ' HE2' ' HB ' ' A' ' 30' ' ' ILE . 49.9 t80 -84.97 124.99 32.31 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 112.987 0.736 . . . . 15.0 112.987 -168.022 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 118' ' ' MET . . . . . . . . . . . . . 52.1 tpp -164.2 99.71 0.84 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 114.822 -1.081 . . . . 15.0 108.357 164.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 119' ' ' GLU . . . . . 0.447 ' HG3' ' O ' ' B' ' 119' ' ' GLU . 4.5 tp10 -130.08 20.09 5.4 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.491 -0.777 . . . . 15.0 109.372 -173.14 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.982 0 CA-C-N 115.327 -0.851 . . . . 15.0 110.254 -173.519 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 48.2 t80 . . . . . 0 N--CA 1.478 0.932 0 CA-C-O 120.985 0.421 . . . . 15.0 110.036 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.476 ' N ' HD13 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -135.5 162.96 54.13 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.441 -0.345 . . . . 15.0 110.903 -177.276 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 1.088 ' HG2' ' HB2' ' A' ' 42' ' ' PRO . 67.8 Cg_exo -49.65 139.19 31.48 Favored 'Trans proline' 0 N--CA 1.475 0.433 0 C-N-CA 123.748 2.965 . . . . 15.0 114.247 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 36.1 ttmt -60.59 116.23 4.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.207 -0.906 . . . . 15.0 110.203 174.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 118.41 -19.37 10.73 Favored Glycine 0 N--CA 1.448 -0.511 0 N-CA-C 111.311 -0.716 . . . . 15.0 111.311 -177.563 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.544 ' CZ3' HG21 ' A' ' 38' ' ' THR . 68.8 m95 -100.87 127.54 47.29 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.227 0.537 . . . . 15.0 110.127 177.46 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.544 ' HB2' HG13 ' A' ' 30' ' ' ILE . 71.0 mm-40 -96.82 149.94 21.29 Favored 'General case' 0 C--N 1.311 -1.092 0 CA-C-N 115.42 -0.809 . . . . 15.0 109.584 176.773 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 13.9 p -101.38 114.16 39.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-O 121.591 0.71 . . . . 15.0 110.371 177.41 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.654 ' HD2' ' HZ ' ' A' ' 28' ' ' PHE . 12.9 ttm180 -118.6 141.48 48.55 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 108.623 -0.881 . . . . 15.0 108.623 178.195 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 6.7 t-80 -108.42 123.78 49.39 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 120.524 -0.47 . . . . 15.0 111.166 -174.613 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.451 ' HB1' ' HD2' ' A' ' 23' ' ' PRO . . . -86.76 177.11 2.99 Favored Pre-proline 0 C--N 1.323 -0.561 0 CA-C-N 115.612 -0.722 . . . . 15.0 109.818 176.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.451 ' HD2' ' HB1' ' A' ' 22' ' ' ALA . 32.3 Cg_exo -60.79 -18.91 58.98 Favored 'Trans proline' 0 C--N 1.354 0.856 0 C-N-CA 122.387 2.058 . . . . 15.0 111.613 169.594 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -62.55 137.33 58.24 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.255 -0.884 . . . . 15.0 109.152 170.178 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.13 55.27 0.82 Allowed Glycine 0 C--N 1.331 0.283 0 N-CA-C 110.984 -0.846 . . . . 15.0 110.984 174.158 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.476 ' NH2' ' HE2' ' A' ' 29' ' ' PHE . 31.0 tpt180 -163.82 132.96 2.94 Favored Pre-proline 0 N--CA 1.44 -0.948 0 CA-C-N 114.493 -0.854 . . . . 15.0 109.177 -170.048 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.457 ' HD2' ' HD2' ' A' ' 26' ' ' ARG . 1.7 Cg_endo -89.48 127.1 1.63 Allowed 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 122.251 1.967 . . . . 15.0 111.672 171.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.654 ' HZ ' ' HD2' ' A' ' 20' ' ' ARG . 38.1 p90 -93.98 138.59 31.91 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.112 0.482 . . . . 15.0 109.748 178.369 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.476 ' HE2' ' NH2' ' A' ' 26' ' ' ARG . 82.3 m-85 -90.23 140.4 29.71 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.702 -0.681 . . . . 15.0 110.186 -174.037 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.544 HG13 ' HB2' ' A' ' 18' ' ' GLU . 17.9 pt -135.67 123.5 36.74 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.768 0 N-CA-C 114.651 1.352 . . . . 15.0 114.651 -175.685 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.536 ' HB2' ' CE2' ' A' ' 17' ' ' TRP . 15.7 t70 -89.92 122.91 33.39 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.472 -0.785 . . . . 15.0 110.234 178.551 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 -90.47 -1.0 57.88 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.993 -0.549 . . . . 15.0 111.62 -176.325 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 45.9 m-80 -83.31 -50.07 8.74 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.831 0.348 . . . . 15.0 111.078 -176.377 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 14.8 t -118.96 5.91 11.37 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.988 0.423 . . . . 15.0 110.599 -179.226 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.41 ' HE3' ' O ' ' B' ' 119' ' ' GLU . 60.5 mmtt 58.6 83.14 0.13 Allowed 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 115.333 -0.848 . . . . 15.0 111.59 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 10.1 t -150.07 150.07 31.2 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.947 -0.57 . . . . 15.0 109.724 176.038 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.9 t -129.69 149.99 51.2 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.823 0.344 . . . . 15.0 110.886 -175.495 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.544 HG21 ' CZ3' ' A' ' 17' ' ' TRP . 7.2 t -144.46 145.72 32.04 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.241 -0.436 . . . . 15.0 111.054 -179.133 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.422 ' HE3' ' CG ' ' A' ' 26' ' ' ARG . 96.5 m95 -94.06 -4.12 50.01 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 109.306 -0.627 . . . . 15.0 109.306 173.383 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -101.8 119.84 39.42 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.902 -0.59 . . . . 15.0 109.545 175.26 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -49.9 114.3 4.13 Favored Pre-proline 0 C--N 1.329 -0.322 0 O-C-N 123.834 0.709 . . . . 15.0 111.365 -177.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 1.088 ' HB2' ' HG2' ' A' ' 14' ' ' PRO . 23.2 Cg_exo -59.92 -15.03 30.56 Favored 'Trans proline' 0 CA--C 1.537 0.652 0 C-N-CA 122.114 1.876 . . . . 15.0 113.906 -178.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.937 ' HG3' ' HD3' ' A' ' 14' ' ' PRO . 85.9 mtt-85 -80.33 -33.92 37.08 Favored 'General case' 0 N--CA 1.464 0.243 0 C-N-CA 120.355 -0.538 . . . . 15.0 110.858 174.453 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -80.09 -17.11 53.49 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.128 -0.487 . . . . 15.0 110.685 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -143.06 105.02 4.38 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.964 -0.562 . . . . 15.0 109.503 175.503 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.792 ' H ' HD11 ' A' ' 46' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--O 1.247 0.939 0 CA-C-O 118.387 -0.816 . . . . 15.0 110.221 177.463 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 9.0 t . . . . . 0 N--CA 1.476 0.839 0 CA-C-O 120.963 0.411 . . . . 15.0 110.709 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 113' ' ' ALA . . . . . 0.621 ' HB3' ' HD3' ' B' ' 114' ' ' PRO . . . -88.69 -49.55 0.41 Allowed Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 115.957 -0.565 . . . . 15.0 111.009 175.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 114' ' ' PRO . . . . . 0.621 ' HD3' ' HB3' ' B' ' 113' ' ' ALA . 17.3 Cg_exo -68.6 131.21 22.39 Favored 'Trans proline' 0 C--N 1.354 0.841 0 C-N-CA 121.984 1.79 . . . . 15.0 111.627 173.535 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 115' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.17 143.64 54.38 Favored 'Trans proline' 0 C--O 1.233 0.249 0 C-N-CA 122.88 2.387 . . . . 15.0 111.79 177.383 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 116' ' ' GLU . . . . . 0.408 ' H ' ' CD ' ' B' ' 116' ' ' GLU . 0.6 OUTLIER -58.5 125.4 23.19 Favored 'General case' 0 C--O 1.234 0.249 0 N-CA-C 109.195 -0.668 . . . . 15.0 109.195 177.708 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 117' ' ' TYR . . . . . 0.571 ' HD1' ' N ' ' B' ' 118' ' ' MET . 0.3 OUTLIER -108.96 123.67 49.47 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 112.282 0.475 . . . . 15.0 112.282 -168.215 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 118' ' ' MET . . . . . 0.571 ' N ' ' HD1' ' B' ' 117' ' ' TYR . 19.0 ptm -179.52 105.96 0.03 OUTLIER 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.283 -0.871 . . . . 15.0 110.253 167.809 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 119' ' ' GLU . . . . . 0.527 ' HG2' ' N ' ' B' ' 120' ' ' ALA . 0.0 OUTLIER -139.83 -170.11 2.87 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.991 -0.284 . . . . 15.0 110.521 175.522 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 120' ' ' ALA . . . . . 0.527 ' N ' ' HG2' ' B' ' 119' ' ' GLU . . . . . . . . 0 C--O 1.251 1.144 0 CA-C-O 118.682 -0.675 . . . . 15.0 110.272 177.631 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.415 ' HB3' HD11 ' A' ' 13' ' ' LEU . 65.6 t80 . . . . . 0 N--CA 1.481 1.105 0 CA-C-O 121.051 0.453 . . . . 15.0 109.866 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.714 ' HB2' ' HD2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -92.73 175.07 3.47 Favored Pre-proline 0 C--N 1.326 -0.432 0 N-CA-C 109.387 -0.597 . . . . 15.0 109.387 172.957 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.714 ' HD2' ' HB2' ' A' ' 13' ' ' LEU . 16.6 Cg_exo -41.15 136.19 2.39 Favored 'Trans proline' 0 C--N 1.351 0.687 0 C-N-CA 123.09 2.527 . . . . 15.0 113.104 175.713 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.2 ptpm? -72.48 1.96 7.12 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.285 0.476 . . . . 15.0 112.285 -174.28 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -105.49 -8.03 36.01 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.67 -0.776 . . . . 15.0 112.38 178.421 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.677 ' CE2' ' HB2' ' A' ' 31' ' ' ASP . 74.1 m95 -110.82 124.88 52.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.451 0.643 . . . . 15.0 111.407 -176.412 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.681 ' HB2' HG13 ' A' ' 30' ' ' ILE . 33.9 mm-40 -91.76 144.73 25.21 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 114.981 -1.009 . . . . 15.0 109.491 175.38 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 21.3 t -104.88 104.6 17.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 120.95 0.405 . . . . 15.0 109.958 176.336 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.4 ttp85 -114.38 126.77 55.36 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.171 -0.468 . . . . 15.0 110.228 -178.425 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.66 ' HA ' ' HA ' ' A' ' 27' ' ' PRO . 29.0 t-80 -89.88 122.15 32.66 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.985 0.422 . . . . 15.0 110.805 -173.432 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.48 ' C ' ' H ' ' A' ' 24' ' ' ASN . . . -94.15 159.97 33.08 Favored Pre-proline 0 C--N 1.322 -0.606 0 CA-C-N 115.875 -0.602 . . . . 15.0 110.423 179.304 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_exo -67.72 12.0 0.22 Allowed 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 123.14 2.56 . . . . 15.0 112.419 176.135 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.586 ' OD1' ' HA ' ' B' ' 112' ' ' THR . 0.8 OUTLIER -84.0 6.57 21.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.025 -0.534 . . . . 15.0 110.371 177.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 64.73 28.82 73.84 Favored Glycine 0 N--CA 1.447 -0.598 0 N-CA-C 109.424 -1.471 . . . . 15.0 109.424 -168.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.559 ' HG2' ' CE3' ' A' ' 39' ' ' TRP . 8.2 tpt180 -147.73 130.61 7.94 Favored Pre-proline 0 N--CA 1.445 -0.701 0 CA-C-N 114.515 -0.843 . . . . 15.0 111.063 -167.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.66 ' HA ' ' HA ' ' A' ' 21' ' ' HIS . 18.7 Cg_endo -89.87 128.7 1.66 Allowed 'Trans proline' 0 N--CA 1.451 -0.974 0 C-N-CA 122.829 2.353 . . . . 15.0 111.228 169.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.462 ' HD1' HG23 ' A' ' 30' ' ' ILE . 20.7 p90 -101.21 138.81 37.75 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.69 -0.485 . . . . 15.0 109.69 176.741 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.413 ' HB2' HG22 ' A' ' 38' ' ' THR . 97.8 m-85 -90.31 136.53 33.0 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.989 -0.551 . . . . 15.0 109.647 179.84 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.681 HG13 ' HB2' ' A' ' 18' ' ' GLU . 6.0 pt -135.32 123.02 37.53 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.564 0 N-CA-C 114.794 1.405 . . . . 15.0 114.794 -174.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.677 ' HB2' ' CE2' ' A' ' 17' ' ' TRP . 9.6 t70 -89.98 122.95 33.47 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-N 114.919 -1.037 . . . . 15.0 110.61 179.477 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.528 ' CE1' ' HG3' ' B' ' 119' ' ' GLU . 21.9 m-70 -93.02 7.59 43.46 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.119 -0.491 . . . . 15.0 111.693 -178.077 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 45.2 m-80 -90.17 -37.82 13.91 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.925 0.393 . . . . 15.0 110.697 178.65 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -126.52 6.03 6.88 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.391 -0.368 . . . . 15.0 111.763 -176.592 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 62.3 mttp 50.07 68.96 0.67 Allowed 'General case' 0 CA--C 1.532 0.288 0 CA-C-O 121.812 0.815 . . . . 15.0 111.216 -173.54 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 26.5 m -137.42 142.92 41.65 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.083 -0.962 . . . . 15.0 109.348 179.347 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.0 t -124.65 149.98 46.55 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.825 0.345 . . . . 15.0 111.604 -175.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.669 HG23 ' CZ3' ' A' ' 17' ' ' TRP . 5.8 t -140.19 142.19 35.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.946 -0.57 . . . . 15.0 109.949 176.423 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.559 ' CE3' ' HG2' ' A' ' 26' ' ' ARG . 83.8 m95 -89.43 -4.62 57.92 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 120.95 0.405 . . . . 15.0 110.16 179.566 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -123.37 135.45 54.16 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.785 -0.643 . . . . 15.0 110.034 178.403 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.415 ' HA ' ' HD2' ' A' ' 42' ' ' PRO . 10.1 t70 -49.25 121.21 10.88 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-N 115.093 -0.958 . . . . 15.0 113.03 -170.044 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.415 ' HD2' ' HA ' ' A' ' 41' ' ' ASP . 26.4 Cg_endo -61.14 -9.61 12.93 Favored 'Trans proline' 0 C--N 1.349 0.586 0 C-N-CA 123.941 3.094 . . . . 15.0 115.488 -179.747 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.417 ' HG3' ' HD3' ' A' ' 14' ' ' PRO . 72.4 mtm180 -61.49 -21.36 64.12 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 118.702 0.683 . . . . 15.0 111.006 178.035 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 77.8 mt -79.89 -10.15 59.75 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.88 0.371 . . . . 15.0 110.941 175.589 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 32.4 mmmt -90.05 2.17 55.5 Favored 'General case' 0 CA--C 1.521 -0.168 0 CA-C-O 121.259 0.552 . . . . 15.0 110.327 177.327 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 61.3 mt . . . . . 0 C--O 1.247 0.97 0 CA-C-N 115.385 -0.825 . . . . 15.0 109.71 177.577 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 112' ' ' THR . . . . . 0.586 ' HA ' ' OD1' ' A' ' 24' ' ' ASN . 10.5 m . . . . . 0 N--CA 1.473 0.72 0 CA-C-O 120.936 0.398 . . . . 15.0 110.11 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 113' ' ' ALA . . . . . . . . . . . . . . . -130.15 136.62 29.3 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 116.179 -0.464 . . . . 15.0 110.259 -178.526 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 114' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -61.25 121.45 9.65 Favored 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.865 2.377 . . . . 15.0 112.465 -178.685 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 115' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -73.97 128.61 12.48 Favored 'Trans proline' 0 N--CA 1.458 -0.559 0 C-N-CA 122.372 2.048 . . . . 15.0 110.686 176.649 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -60.67 119.98 9.16 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.435 0.636 . . . . 15.0 109.597 179.13 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 117' ' ' TYR . . . . . 0.521 ' CE2' ' HB ' ' A' ' 30' ' ' ILE . 0.3 OUTLIER -83.95 120.19 25.8 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.437 -0.801 . . . . 15.0 111.935 -168.468 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 118' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -168.42 105.07 0.45 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.195 -0.911 . . . . 15.0 108.828 167.379 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 119' ' ' GLU . . . . . 0.528 ' HG3' ' CE1' ' A' ' 32' ' ' HIS . 5.6 pt-20 -149.99 116.04 5.67 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 115.026 -0.988 . . . . 15.0 109.229 178.246 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.244 0.798 0 CA-C-O 118.355 -0.831 . . . . 15.0 110.396 -174.406 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 25.9 p90 . . . . . 0 N--CA 1.477 0.888 0 N-CA-C 109.917 -0.401 . . . . 15.0 109.917 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.533 ' HB3' ' HD2' ' A' ' 14' ' ' PRO . 77.9 mt -121.88 166.45 16.71 Favored Pre-proline 0 C--N 1.322 -0.627 0 N-CA-C 109.388 -0.597 . . . . 15.0 109.388 177.068 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.785 ' HG2' ' HG2' ' A' ' 42' ' ' PRO . 89.6 Cg_exo -46.36 113.86 0.73 Allowed 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.818 2.345 . . . . 15.0 112.576 174.458 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 60.9 mtpt 38.79 -90.79 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.517 0 O-C-N 124.474 1.109 . . . . 15.0 113.4 170.137 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -136.77 57.16 0.68 Allowed Glycine 0 N--CA 1.444 -0.791 0 C-N-CA 120.753 -0.737 . . . . 15.0 113.136 -177.022 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.561 ' CD1' ' HB2' ' A' ' 14' ' ' PRO . 74.7 m95 -108.82 127.18 53.8 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.5 0.666 . . . . 15.0 111.142 178.047 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.537 ' HB2' HG13 ' A' ' 30' ' ' ILE . 6.5 mm-40 -96.07 147.62 23.53 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 114.702 -1.135 . . . . 15.0 109.575 175.053 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 23.6 t -98.71 99.1 8.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 N-CA-C 109.757 -0.46 . . . . 15.0 109.757 178.141 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.9 tpp180 -104.53 125.38 50.64 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.411 -0.588 . . . . 15.0 109.411 -178.005 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.684 ' HA ' ' HA ' ' A' ' 27' ' ' PRO . 27.1 t-80 -89.77 126.61 35.74 Favored 'General case' 0 C--N 1.322 -0.595 0 O-C-N 122.017 -0.427 . . . . 15.0 111.112 -175.872 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.453 ' C ' ' H ' ' A' ' 24' ' ' ASN . . . -101.31 162.31 20.91 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-N 116.19 -0.459 . . . . 15.0 110.141 177.668 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_exo -65.23 6.27 0.41 Allowed 'Trans proline' 0 C--N 1.35 0.65 0 C-N-CA 123.244 2.629 . . . . 15.0 112.722 176.5 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.453 ' H ' ' C ' ' A' ' 22' ' ' ALA . 2.4 t-20 -77.36 5.54 8.5 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.596 -0.729 . . . . 15.0 110.435 178.27 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 64.31 22.45 67.36 Favored Glycine 0 CA--C 1.505 -0.555 0 N-CA-C 109.56 -1.416 . . . . 15.0 109.56 -171.094 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.513 ' HG2' ' HE3' ' A' ' 39' ' ' TRP . 28.8 ttp180 -145.17 135.69 12.08 Favored Pre-proline 0 N--CA 1.44 -0.929 0 CA-C-N 114.292 -0.954 . . . . 15.0 110.182 -170.812 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.684 ' HA ' ' HA ' ' A' ' 21' ' ' HIS . 12.2 Cg_endo -89.52 120.24 0.96 Allowed 'Trans proline' 0 N--CA 1.447 -1.207 0 C-N-CA 122.341 2.028 . . . . 15.0 111.635 170.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 27.7 p90 -90.07 139.47 30.59 Favored 'General case' 0 N--CA 1.446 -0.657 0 N-CA-C 108.878 -0.786 . . . . 15.0 108.878 177.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.477 ' HB2' ' OG1' ' A' ' 38' ' ' THR . 97.6 m-85 -89.99 138.74 31.25 Favored 'General case' 0 CA--C 1.502 -0.877 0 CA-C-N 116.265 -0.425 . . . . 15.0 110.748 -175.501 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.698 ' HB ' ' CE2' ' B' ' 117' ' ' TYR . 13.6 pt -133.49 124.22 47.94 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.913 0 N-CA-C 114.687 1.366 . . . . 15.0 114.687 -173.521 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.559 ' HB2' ' CE2' ' A' ' 17' ' ' TRP . 19.9 t70 -89.89 120.95 31.56 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 114.515 -1.221 . . . . 15.0 109.303 176.26 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 21.0 m-70 -83.4 -5.0 59.01 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.369 -0.378 . . . . 15.0 111.698 -175.778 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 39.6 m-80 -82.01 -57.61 3.33 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.095 0.474 . . . . 15.0 110.648 -178.074 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.0 m -105.43 1.01 27.35 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.996 -0.547 . . . . 15.0 110.958 -175.093 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 54.53 88.59 0.04 OUTLIER 'General case' 0 CA--C 1.535 0.392 0 CA-C-O 121.207 0.527 . . . . 15.0 111.075 -172.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 16.2 m -143.53 140.7 30.4 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 116.261 -0.427 . . . . 15.0 110.896 178.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.643 HG22 HG23 ' A' ' 30' ' ' ILE . 13.6 p -112.23 128.33 56.22 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 120.888 0.375 . . . . 15.0 111.731 -178.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.477 ' OG1' ' HB2' ' A' ' 29' ' ' PHE . 76.6 p -126.44 121.52 32.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.796 0.332 . . . . 15.0 111.791 177.817 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.513 ' HE3' ' HG2' ' A' ' 26' ' ' ARG . 98.6 m95 -72.7 -14.9 61.67 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.172 0.511 . . . . 15.0 109.944 175.434 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -103.34 147.07 27.54 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.54 -0.755 . . . . 15.0 109.71 174.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -65.23 121.55 75.1 Favored Pre-proline 0 C--N 1.326 -0.452 0 CA-C-N 116.229 -0.441 . . . . 15.0 110.408 -178.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.785 ' HG2' ' HG2' ' A' ' 14' ' ' PRO . 18.9 Cg_endo -60.08 -9.68 10.76 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 123.488 2.792 . . . . 15.0 113.844 -178.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.746 ' HA ' HD11 ' A' ' 46' ' ' ILE . 82.3 mtp180 -60.26 -20.46 59.07 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.953 0.406 . . . . 15.0 110.652 175.057 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 92.0 mt -79.86 -10.12 59.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.082 -0.508 . . . . 15.0 110.685 176.353 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.73 ' HA ' ' HE3' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -92.27 -1.81 56.86 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.416 -0.356 . . . . 15.0 111.326 178.658 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.746 HD11 ' HA ' ' A' ' 43' ' ' ARG . 1.8 mp . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.298 -0.858 . . . . 15.0 109.729 176.076 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 11.6 m . . . . . 0 N--CA 1.476 0.835 0 CA-C-O 120.909 0.385 . . . . 15.0 110.472 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 113' ' ' ALA . . . . . . . . . . . . . . . -148.85 165.89 16.73 Favored Pre-proline 0 C--N 1.322 -0.595 0 CA-C-N 116.135 -0.484 . . . . 15.0 110.216 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 114' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -51.78 122.11 9.82 Favored 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 122.39 2.06 . . . . 15.0 111.54 173.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 115' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_exo -62.03 135.13 53.28 Favored 'Trans proline' 0 N--CA 1.461 -0.42 0 C-N-CA 122.68 2.253 . . . . 15.0 112.507 -177.397 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 116' ' ' GLU . . . . . 0.409 ' H ' ' HG2' ' B' ' 116' ' ' GLU . 4.6 pt-20 -65.25 119.96 11.87 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.367 -0.833 . . . . 15.0 109.907 176.32 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 117' ' ' TYR . . . . . 0.821 ' HE1' ' HB2' ' B' ' 119' ' ' GLU . 0.5 OUTLIER -102.08 124.52 47.83 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.874 -0.603 . . . . 15.0 111.607 -169.211 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 118' ' ' MET . . . . . 0.616 ' N ' ' HD1' ' B' ' 117' ' ' TYR . 22.3 ptt? -153.62 98.85 2.26 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.608 0.718 . . . . 15.0 110.054 165.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 119' ' ' GLU . . . . . 0.821 ' HB2' ' HE1' ' B' ' 117' ' ' TYR . 47.2 mt-10 -136.45 132.44 35.4 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.204 -0.907 . . . . 15.0 109.383 178.03 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.072 0 O-C-N 124.154 0.909 . . . . 15.0 110.585 -177.763 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 38.9 p90 . . . . . 0 N--CA 1.477 0.916 0 CA-C-O 120.866 0.365 . . . . 15.0 110.147 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.502 ' HB3' ' HD2' ' A' ' 14' ' ' PRO . 96.2 mt -122.49 169.81 9.05 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-N 116.193 -0.458 . . . . 15.0 110.109 179.392 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.637 ' HB2' ' CD1' ' A' ' 17' ' ' TRP . 66.0 Cg_exo -47.7 -9.66 0.07 OUTLIER 'Trans proline' 0 CA--C 1.539 0.762 0 C-N-CA 123.975 3.116 . . . . 15.0 114.624 171.159 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 54.6 mttp 73.09 115.99 0.05 Allowed 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 123.589 0.755 . . . . 15.0 111.739 176.415 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 100.3 -3.96 56.84 Favored Glycine 0 N--CA 1.446 -0.698 0 CA-C-N 115.112 -0.949 . . . . 15.0 111.051 -176.421 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.637 ' CD1' ' HB2' ' A' ' 14' ' ' PRO . 80.4 m95 -109.26 121.95 46.28 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.047 0.451 . . . . 15.0 110.713 -179.011 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.586 ' HB2' HG13 ' A' ' 30' ' ' ILE . 17.8 mm-40 -89.85 149.89 22.46 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.32 -0.855 . . . . 15.0 108.851 173.356 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 13.5 p -103.4 119.63 52.21 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 CA-C-O 121.267 0.556 . . . . 15.0 109.714 173.448 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.507 ' HD2' ' HZ ' ' A' ' 28' ' ' PHE . 43.6 ttm-85 -121.43 128.82 52.55 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.882 0.372 . . . . 15.0 110.016 179.566 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -95.28 122.25 37.79 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.048 -0.524 . . . . 15.0 110.344 -178.505 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.427 ' HB1' ' OD1' ' A' ' 24' ' ' ASN . . . -102.59 168.66 8.57 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 116.231 -0.44 . . . . 15.0 110.25 179.352 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_exo -64.98 2.08 1.55 Allowed 'Trans proline' 0 C--N 1.353 0.809 0 C-N-CA 123.105 2.536 . . . . 15.0 113.05 178.213 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.427 ' OD1' ' HB1' ' A' ' 22' ' ' ALA . 6.2 p30 -80.6 1.36 30.09 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.314 -0.403 . . . . 15.0 110.818 175.107 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.31 18.52 69.53 Favored Glycine 0 C--N 1.334 0.461 0 N-CA-C 110.237 -1.145 . . . . 15.0 110.237 -176.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.651 ' HG2' ' CE3' ' A' ' 39' ' ' TRP . 5.2 tpt180 -124.99 131.72 24.16 Favored Pre-proline 0 N--CA 1.441 -0.916 0 CA-C-N 114.197 -1.001 . . . . 15.0 110.416 -171.254 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_endo -89.76 113.9 0.56 Allowed 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 122.39 2.06 . . . . 15.0 111.428 170.708 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.507 ' HB3' ' CZ3' ' A' ' 39' ' ' TRP . 31.6 p90 -96.73 139.66 32.46 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.747 -0.464 . . . . 15.0 109.747 179.198 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -89.72 137.98 31.87 Favored 'General case' 0 CA--C 1.508 -0.652 0 CA-C-N 115.795 -0.639 . . . . 15.0 109.945 -175.22 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.615 ' O ' ' HA ' ' A' ' 17' ' ' TRP . 3.4 pt -136.0 119.37 23.39 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.691 0 N-CA-C 114.447 1.277 . . . . 15.0 114.447 -174.707 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.45 ' OD2' ' HB ' ' A' ' 34' ' ' THR . 0.0 OUTLIER -91.29 127.79 36.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 114.657 -1.156 . . . . 15.0 110.621 179.778 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 24.6 m-70 -94.61 -7.7 40.22 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 112.861 0.689 . . . . 15.0 112.861 -174.494 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -98.59 -17.12 18.82 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.228 -0.589 . . . . 15.0 111.027 -175.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.45 ' HB ' ' OD2' ' A' ' 31' ' ' ASP . 2.1 m -124.96 -5.71 7.38 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.356 -0.383 . . . . 15.0 110.907 176.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 48.3 mmtm 59.03 51.93 6.74 Favored 'General case' 0 N--CA 1.464 0.226 0 C-N-CA 123.056 0.543 . . . . 15.0 111.071 -179.168 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 27.3 m -126.13 140.98 52.13 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.893 0.378 . . . . 15.0 111.253 179.417 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 11.3 t -116.94 150.15 38.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 15.0 110.454 179.652 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.517 HG21 ' HG3' ' A' ' 42' ' ' PRO . 13.3 t -147.52 144.14 28.32 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.224 -0.444 . . . . 15.0 110.506 -177.763 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.651 ' CE3' ' HG2' ' A' ' 26' ' ' ARG . 55.7 m95 -99.72 -10.57 21.74 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.662 0.744 . . . . 15.0 109.398 178.34 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -101.09 120.16 39.81 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.303 -0.862 . . . . 15.0 109.378 171.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -47.15 120.5 6.72 Favored Pre-proline 0 N--CA 1.469 0.52 0 CA-C-N 115.832 -0.622 . . . . 15.0 111.194 -175.187 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.782 ' HA ' ' HE3' ' A' ' 45' ' ' LYS . 33.8 Cg_exo -57.15 -16.39 21.41 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.549 2.166 . . . . 15.0 113.48 -178.697 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.425 ' HG3' ' HD3' ' A' ' 14' ' ' PRO . 75.6 mtp180 -64.87 -22.29 66.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.928 0.394 . . . . 15.0 110.637 177.075 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 73.8 mt -79.91 -10.42 59.77 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.067 -0.515 . . . . 15.0 111.013 177.216 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.782 ' HE3' ' HA ' ' A' ' 42' ' ' PRO . 0.0 OUTLIER -111.81 -8.86 14.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 15.0 111.447 -177.057 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 10.8 tt . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.133 -0.937 . . . . 15.0 110.791 -179.376 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 12.8 t . . . . . 0 N--CA 1.48 1.042 0 CA-C-O 120.728 0.299 . . . . 15.0 110.329 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 113' ' ' ALA . . . . . . . . . . . . . . . -147.81 138.25 12.82 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 116.551 -0.295 . . . . 15.0 110.4 179.24 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 114' ' ' PRO . . . . . 0.468 ' HA ' ' HD3' ' B' ' 115' ' ' PRO . 32.9 Cg_exo -58.46 124.04 14.95 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.769 2.312 . . . . 15.0 112.089 178.027 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 115' ' ' PRO . . . . . 0.62 ' HD3' ' CZ2' ' A' ' 39' ' ' TRP . 10.3 Cg_exo -72.12 136.4 26.92 Favored 'Trans proline' 0 N--CA 1.463 -0.266 0 C-N-CA 123.067 2.511 . . . . 15.0 112.486 -177.77 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -58.02 119.95 7.69 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.657 -0.702 . . . . 15.0 109.786 175.579 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 117' ' ' TYR . . . . . 0.489 ' HD1' ' N ' ' B' ' 118' ' ' MET . 0.3 OUTLIER -97.01 123.8 40.82 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.335 -0.546 . . . . 15.0 111.846 -172.694 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 118' ' ' MET . . . . . 0.489 ' N ' ' HD1' ' B' ' 117' ' ' TYR . 19.9 ptm -171.5 59.53 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.236 -0.893 . . . . 15.0 109.718 167.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 119' ' ' GLU . . . . . 0.466 ' OE1' HD11 ' A' ' 30' ' ' ILE . 53.4 mt-10 -84.2 113.46 21.1 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.244 -0.889 . . . . 15.0 110.098 179.359 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.969 0 O-C-N 124.08 0.863 . . . . 15.0 112.01 175.825 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 38.6 t80 . . . . . 0 N--CA 1.477 0.916 0 CA-C-O 120.858 0.361 . . . . 15.0 110.065 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 89.8 mt -118.52 150.92 48.97 Favored Pre-proline 0 C--N 1.321 -0.657 0 CA-C-N 116.098 -0.501 . . . . 15.0 109.696 178.346 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.789 ' HD3' ' HG3' ' A' ' 43' ' ' ARG . 6.0 Cg_exo -32.47 -70.94 0.05 OUTLIER 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 125.183 3.922 . . . . 15.0 114.067 -176.754 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.504 ' H ' ' HD1' ' A' ' 17' ' ' TRP . 20.7 pttp 178.56 102.46 0.02 OUTLIER 'General case' 0 C--N 1.334 -0.066 0 CA-C-O 121.603 0.716 . . . . 15.0 110.203 -176.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 68.93 18.19 72.35 Favored Glycine 0 C--N 1.311 -0.826 0 C-N-CA 120.383 -0.913 . . . . 15.0 113.379 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.608 ' HA ' ' O ' ' A' ' 30' ' ' ILE . 81.2 m95 -95.97 131.62 42.15 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.861 -0.422 . . . . 15.0 109.861 178.573 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.565 ' O ' HG12 ' A' ' 30' ' ' ILE . 15.2 tp10 -105.81 141.96 36.35 Favored 'General case' 0 C--N 1.315 -0.896 0 N-CA-C 108.661 -0.866 . . . . 15.0 108.661 176.35 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 4.2 m -101.57 98.94 7.46 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-O 121.404 0.621 . . . . 15.0 111.164 179.647 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.67 ' HD2' ' HZ ' ' A' ' 28' ' ' PHE . 21.6 ttm180 -92.24 119.08 31.51 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.588 -0.893 . . . . 15.0 108.588 176.722 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 7.9 t-80 -89.97 115.42 27.25 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.024 0.44 . . . . 15.0 110.953 -173.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.423 ' HB3' ' HD2' ' A' ' 23' ' ' PRO . . . -77.16 176.24 3.69 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-N 115.574 -0.739 . . . . 15.0 109.736 175.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.423 ' HD2' ' HB3' ' A' ' 22' ' ' ALA . 32.1 Cg_exo -60.57 -18.56 55.29 Favored 'Trans proline' 0 C--N 1.353 0.777 0 C-N-CA 122.208 1.939 . . . . 15.0 111.755 173.017 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.439 ' C ' ' H ' ' A' ' 26' ' ' ARG . 14.7 m120 -63.92 146.61 53.72 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.202 -0.908 . . . . 15.0 110.015 172.186 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -71.73 48.18 1.01 Allowed Glycine 0 CA--C 1.518 0.223 0 N-CA-C 110.388 -1.085 . . . . 15.0 110.388 169.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.477 ' CG ' ' HE3' ' A' ' 39' ' ' TRP . 11.8 tpt180 -154.02 122.68 3.08 Favored Pre-proline 0 N--CA 1.44 -0.951 0 CA-C-N 114.577 -0.811 . . . . 15.0 109.808 -169.654 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 8.4 Cg_endo -89.71 125.57 1.39 Allowed 'Trans proline' 0 N--CA 1.45 -1.086 0 C-N-CA 122.406 2.071 . . . . 15.0 111.108 171.562 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.67 ' HZ ' ' HD2' ' A' ' 20' ' ' ARG . 52.5 p90 -90.03 135.24 33.77 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.106 -0.702 . . . . 15.0 109.106 176.605 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -89.77 134.9 33.94 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.622 -0.717 . . . . 15.0 110.387 -171.761 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.864 ' HB ' ' CE2' ' B' ' 117' ' ' TYR . 12.5 pt -130.85 125.65 58.61 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.592 0 N-CA-C 113.689 0.996 . . . . 15.0 113.689 -178.167 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.453 ' HB2' ' CE2' ' A' ' 17' ' ' TRP . 5.8 t70 -89.83 118.53 29.48 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 114.795 -1.093 . . . . 15.0 110.81 -177.784 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 24.9 m-70 -89.93 14.96 10.81 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.704 -0.68 . . . . 15.0 111.068 -178.138 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 46.9 m-80 -96.39 -39.48 9.58 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.672 0.272 . . . . 15.0 110.889 -179.147 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.9 t -142.62 28.05 1.64 Allowed 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 112.257 0.466 . . . . 15.0 112.257 -177.347 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.421 ' HE2' ' HA ' ' B' ' 118' ' ' MET . 2.6 mmmm 51.66 72.63 0.36 Allowed 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 122.482 0.313 . . . . 15.0 111.162 177.253 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 26.7 m -145.45 140.18 27.4 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 110.294 -0.261 . . . . 15.0 110.294 179.453 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.2 t -130.64 148.39 52.43 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.866 0.365 . . . . 15.0 111.363 -177.043 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 8.2 t -149.89 150.03 31.31 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 115.975 -0.557 . . . . 15.0 110.56 176.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.477 ' HE3' ' CG ' ' A' ' 26' ' ' ARG . 86.4 m95 -87.38 -13.07 44.43 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.861 0.363 . . . . 15.0 110.091 177.152 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -90.04 126.0 35.61 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.872 -0.604 . . . . 15.0 109.697 179.389 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.649 ' HB3' HD23 ' A' ' 44' ' ' LEU . 17.0 t0 -58.93 115.23 11.13 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 123.456 0.472 . . . . 15.0 110.355 -178.431 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.45 ' HB2' ' HG3' ' A' ' 14' ' ' PRO . 32.0 Cg_exo -60.32 -9.79 11.59 Favored 'Trans proline' 0 CA--C 1.533 0.439 0 C-N-CA 123.035 2.49 . . . . 15.0 113.756 -178.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.789 ' HG3' ' HD3' ' A' ' 14' ' ' PRO . 83.7 mtp180 -72.29 -20.05 61.57 Favored 'General case' 0 C--N 1.33 -0.268 0 O-C-N 121.866 -0.521 . . . . 15.0 110.488 175.193 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.649 HD23 ' HB3' ' A' ' 41' ' ' ASP . 4.2 mm? -79.82 -14.89 58.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.359 -0.382 . . . . 15.0 110.705 176.437 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 26.6 tptp -176.19 111.87 0.1 Allowed 'General case' 0 C--O 1.231 0.103 0 CA-C-N 116.002 -0.544 . . . . 15.0 110.869 177.284 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 65.7 mt . . . . . 0 C--O 1.25 1.122 0 CA-C-O 118.192 -0.909 . . . . 15.0 109.237 174.127 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 55.2 m . . . . . 0 N--CA 1.475 0.809 0 CA-C-O 120.736 0.303 . . . . 15.0 110.577 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 113' ' ' ALA . . . . . 0.655 ' HB2' ' HD3' ' B' ' 114' ' ' PRO . . . -155.54 -56.0 0.02 OUTLIER Pre-proline 0 C--N 1.327 -0.41 0 CA-C-N 116.168 -0.469 . . . . 15.0 111.021 177.382 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 114' ' ' PRO . . . . . 0.655 ' HD3' ' HB2' ' B' ' 113' ' ' ALA . 83.6 Cg_endo -82.65 124.85 4.15 Favored 'Trans proline' 0 C--N 1.352 0.747 0 C-N-CA 121.71 1.607 . . . . 15.0 112.127 174.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 115' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -60.29 135.61 62.9 Favored 'Trans proline' 0 C--O 1.233 0.226 0 C-N-CA 122.917 2.411 . . . . 15.0 111.929 176.662 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.09 120.06 8.46 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 121.269 0.556 . . . . 15.0 110.322 177.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 117' ' ' TYR . . . . . 0.864 ' CE2' ' HB ' ' A' ' 30' ' ' ILE . 1.5 t80 -85.11 121.44 27.88 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.139 -0.482 . . . . 15.0 112.117 -170.414 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 118' ' ' MET . . . . . 0.421 ' HA ' ' HE2' ' A' ' 35' ' ' LYS . 51.8 ttm -175.42 108.34 0.1 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.04 -0.982 . . . . 15.0 108.866 169.571 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -119.35 128.67 54.31 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.595 0.236 . . . . 15.0 110.56 -176.602 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.975 0 CA-C-O 118.447 -0.787 . . . . 15.0 110.458 179.582 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 45.5 p90 . . . . . 0 N--CA 1.482 1.141 0 CA-C-O 120.798 0.332 . . . . 15.0 110.849 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.454 HD22 ' HB ' ' A' ' 19' ' ' VAL . 2.9 mm? -99.26 158.1 32.84 Favored Pre-proline 0 C--O 1.234 0.265 0 N-CA-C 109.936 -0.394 . . . . 15.0 109.936 177.433 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.995 ' HG2' ' HB2' ' A' ' 42' ' ' PRO . 0.3 OUTLIER -33.45 142.6 0.05 OUTLIER 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 124.541 3.494 . . . . 15.0 114.143 169.836 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt -48.05 111.69 0.47 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.317 -0.856 . . . . 15.0 111.286 179.114 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 115.26 -24.67 10.41 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.797 -0.716 . . . . 15.0 112.566 179.397 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.602 ' CE2' ' HB2' ' A' ' 31' ' ' ASP . 85.4 m95 -96.34 130.6 43.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.456 0.646 . . . . 15.0 111.37 -176.533 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -113.06 150.13 32.45 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 114.858 -1.065 . . . . 15.0 109.035 176.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.454 ' HB ' HD22 ' A' ' 13' ' ' LEU . 7.1 p -94.14 112.01 26.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 121.608 0.718 . . . . 15.0 111.052 179.781 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 21.9 tpp180 -111.15 120.58 42.77 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.304 -0.628 . . . . 15.0 109.304 177.442 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 15.3 t-80 -93.68 114.59 26.93 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 120.56 -0.456 . . . . 15.0 110.752 -176.351 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.412 ' HB1' ' HD2' ' A' ' 23' ' ' PRO . . . -75.72 175.14 4.47 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 115.862 -0.608 . . . . 15.0 110.147 177.177 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.412 ' HD2' ' HB1' ' A' ' 22' ' ' ALA . 36.4 Cg_exo -61.0 -19.91 65.19 Favored 'Trans proline' 0 C--N 1.353 0.763 0 C-N-CA 122.053 1.835 . . . . 15.0 110.801 169.314 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.495 HD21 ' N ' ' A' ' 25' ' ' GLY . 0.2 OUTLIER -59.74 139.1 57.53 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 114.68 -1.145 . . . . 15.0 108.96 170.649 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.495 ' N ' HD21 ' A' ' 24' ' ' ASN . . . -71.37 48.69 0.94 Allowed Glycine 0 C--N 1.33 0.241 0 N-CA-C 110.342 -1.103 . . . . 15.0 110.342 170.308 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.765 ' HG2' ' HE3' ' A' ' 39' ' ' TRP . 52.5 ttp180 -160.18 122.13 1.8 Allowed Pre-proline 0 N--CA 1.439 -0.99 0 N-CA-C 107.807 -1.183 . . . . 15.0 107.807 -171.112 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -89.66 127.19 1.58 Allowed 'Trans proline' 0 N--CA 1.449 -1.122 0 C-N-CA 121.55 1.5 . . . . 15.0 111.337 177.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 34.5 p90 -89.96 133.47 34.77 Favored 'General case' 0 N--CA 1.443 -0.793 0 N-CA-C 108.969 -0.752 . . . . 15.0 108.969 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -89.66 137.5 32.28 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 115.219 -0.9 . . . . 15.0 109.553 -172.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 1.113 ' HB ' ' HE2' ' B' ' 117' ' ' TYR . 21.6 pt -135.24 124.23 41.18 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.69 0 N-CA-C 115.197 1.555 . . . . 15.0 115.197 -172.638 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.602 ' HB2' ' CE2' ' A' ' 17' ' ' TRP . 10.6 t70 -91.05 128.72 36.98 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 114.784 -1.098 . . . . 15.0 110.081 178.2 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 78.0 m-70 -86.17 -20.81 28.05 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 112.475 0.546 . . . . 15.0 112.475 -174.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.3 p30 -95.92 -6.16 39.78 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.252 -0.579 . . . . 15.0 111.186 -170.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.1 m -122.93 -8.88 8.32 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.247 -0.433 . . . . 15.0 111.413 178.645 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.558 ' HA ' ' CD1' ' B' ' 117' ' ' TYR . 49.8 mmtt 52.29 68.32 0.84 Allowed 'General case' 0 CA--C 1.531 0.241 0 CA-C-O 121.04 0.448 . . . . 15.0 110.461 -171.668 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 28.5 m -150.14 150.08 31.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 15.0 110.706 -177.588 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.548 ' HB ' HG22 ' A' ' 30' ' ' ILE . 9.3 t -133.01 150.1 52.18 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-O 120.895 0.379 . . . . 15.0 111.294 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 12.3 t -145.12 150.07 36.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.977 -0.556 . . . . 15.0 110.034 178.389 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.765 ' HE3' ' HG2' ' A' ' 26' ' ' ARG . 90.2 m95 -94.91 -6.94 41.44 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.778 -0.369 . . . . 15.0 111.043 -178.566 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.494 ' CD ' ' HZ2' ' A' ' 45' ' ' LYS . 1.1 pp20? -102.17 130.79 48.91 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.832 -0.432 . . . . 15.0 109.832 175.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.408 ' O ' ' HG ' ' A' ' 44' ' ' LEU . 5.9 p-10 -61.1 124.82 81.98 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 115.79 -0.641 . . . . 15.0 112.225 -170.754 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.995 ' HB2' ' HG2' ' A' ' 14' ' ' PRO . 39.0 Cg_exo -62.39 -9.82 16.72 Favored 'Trans proline' 0 CA--C 1.532 0.39 0 C-N-CA 123.331 2.687 . . . . 15.0 112.858 176.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 62.7 mtt180 -59.84 -39.46 85.2 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.642 0.258 . . . . 15.0 111.435 178.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' A' ' 41' ' ' ASP . 3.4 pp -80.06 -9.79 59.72 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.093 0.473 . . . . 15.0 110.912 175.877 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.513 ' HB2' ' HA ' ' A' ' 42' ' ' PRO . 4.8 tttp -92.13 -26.61 18.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.794 -0.639 . . . . 15.0 111.668 -175.099 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.135 0 CA-C-O 118.207 -0.902 . . . . 15.0 110.717 -174.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 28.2 m . . . . . 0 N--CA 1.475 0.802 0 CA-C-O 120.933 0.397 . . . . 15.0 110.434 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 113' ' ' ALA . . . . . . . . . . . . . . . -149.33 165.07 18.54 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 115.959 -0.564 . . . . 15.0 109.658 -179.318 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 114' ' ' PRO . . . . . 0.422 ' HA ' ' HD3' ' B' ' 115' ' ' PRO . 65.5 Cg_exo -52.07 119.97 6.53 Favored 'Trans proline' 0 C--N 1.348 0.553 0 C-N-CA 122.371 2.048 . . . . 15.0 112.115 176.2 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 115' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' B' ' 114' ' ' PRO . 34.4 Cg_exo -61.76 139.64 81.52 Favored 'Trans proline' 0 C--O 1.232 0.225 0 C-N-CA 123.117 2.545 . . . . 15.0 112.044 -178.786 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -66.16 138.26 57.58 Favored 'General case' 0 CA--C 1.508 -0.662 0 CA-C-O 121.693 0.759 . . . . 15.0 109.795 176.588 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 117' ' ' TYR . . . . . 1.113 ' HE2' ' HB ' ' A' ' 30' ' ' ILE . 13.2 t80 -109.22 119.8 40.59 Favored 'General case' 0 C--N 1.305 -1.353 0 CA-C-N 114.433 -1.258 . . . . 15.0 112.477 -168.395 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 118' ' ' MET . . . . . . . . . . . . . 61.3 mtt -151.63 89.87 1.52 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.616 -0.72 . . . . 15.0 109.1 168.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -131.08 126.65 36.37 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.054 -0.521 . . . . 15.0 110.368 -179.751 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.002 0 O-C-N 124.04 0.837 . . . . 15.0 110.766 179.786 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 36.9 p90 . . . . . 0 N--CA 1.479 0.98 0 N-CA-C 109.958 -0.386 . . . . 15.0 109.958 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.668 HD12 ' HB ' ' A' ' 19' ' ' VAL . 89.4 mt -144.72 169.2 10.44 Favored Pre-proline 0 C--N 1.321 -0.649 0 CA-C-N 116.231 -0.44 . . . . 15.0 109.851 179.825 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.789 ' HG2' ' HG2' ' A' ' 42' ' ' PRO . 28.0 Cg_exo -39.28 126.79 1.43 Allowed 'Trans proline' 0 C--N 1.349 0.587 0 C-N-CA 123.915 3.077 . . . . 15.0 113.854 174.102 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 58.9 mtpt 35.87 -90.45 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.436 0 O-C-N 124.492 1.12 . . . . 15.0 113.991 173.316 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -122.64 23.3 7.12 Favored Glycine 0 N--CA 1.442 -0.955 0 C-N-CA 121.037 -0.601 . . . . 15.0 113.331 -172.226 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.566 ' O ' ' HB2' ' A' ' 13' ' ' LEU . 85.5 m95 -89.97 127.43 36.03 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.149 0.5 . . . . 15.0 110.31 179.69 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -106.69 150.01 26.69 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.625 -0.716 . . . . 15.0 109.147 176.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.668 ' HB ' HD12 ' A' ' 13' ' ' LEU . 10.8 p -100.59 112.33 33.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 121.586 0.708 . . . . 15.0 110.608 179.62 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.537 ' HB3' ' CE1' ' A' ' 28' ' ' PHE . 14.0 tpp180 -114.67 122.86 47.77 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.582 -0.525 . . . . 15.0 109.582 179.459 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 8.5 t-80 -94.32 128.76 41.02 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.319 -0.4 . . . . 15.0 110.461 -176.269 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.456 ' HB2' ' ND2' ' A' ' 24' ' ' ASN . . . -115.89 171.8 4.32 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 116.356 -0.384 . . . . 15.0 110.818 -178.118 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_exo -63.96 0.61 1.96 Allowed 'Trans proline' 0 C--N 1.358 1.077 0 C-N-CA 123.284 2.656 . . . . 15.0 113.376 178.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.456 ' ND2' ' HB2' ' A' ' 22' ' ' ALA . 5.1 p30 -76.47 0.26 20.43 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.049 -0.523 . . . . 15.0 110.937 174.746 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 65.21 19.17 65.91 Favored Glycine 0 CA--C 1.504 -0.636 0 N-CA-C 110.031 -1.228 . . . . 15.0 110.031 -176.019 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.598 ' HD2' ' HD2' ' A' ' 27' ' ' PRO . 29.5 tpt180 -131.05 134.4 25.87 Favored Pre-proline 0 N--CA 1.436 -1.137 0 CA-C-N 114.267 -0.967 . . . . 15.0 110.171 -170.607 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.598 ' HD2' ' HD2' ' A' ' 26' ' ' ARG . 6.0 Cg_endo -89.61 115.23 0.63 Allowed 'Trans proline' 0 N--CA 1.448 -1.158 0 C-N-CA 121.852 1.702 . . . . 15.0 110.886 170.07 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.537 ' CE1' ' HB3' ' A' ' 20' ' ' ARG . 5.6 p90 -90.0 142.86 27.3 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 120.309 -0.556 . . . . 15.0 109.608 178.504 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 65.9 m-85 -93.18 129.94 39.03 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.622 -0.717 . . . . 15.0 109.67 -175.721 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 1.073 ' HB ' ' HE2' ' B' ' 117' ' ' TYR . 16.1 pt -133.7 125.91 50.34 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.467 0 N-CA-C 114.177 1.177 . . . . 15.0 114.177 -175.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.494 ' HB2' ' CE2' ' A' ' 17' ' ' TRP . 7.2 t70 -89.95 125.6 35.43 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.032 -0.985 . . . . 15.0 110.423 -179.317 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.408 ' HA ' ' OH ' ' B' ' 117' ' ' TYR . 47.2 m-70 -92.85 11.79 25.89 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.04 -0.527 . . . . 15.0 111.744 -177.091 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 57.2 m-80 -94.59 -43.79 8.14 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 121.076 -0.25 . . . . 15.0 110.915 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 11.0 t -126.51 13.66 7.58 Favored 'General case' 0 CA--C 1.536 0.422 0 N-CA-C 112.561 0.578 . . . . 15.0 112.561 -174.494 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.509 ' HA ' ' CE1' ' B' ' 117' ' ' TYR . 14.3 mptt 58.3 77.1 0.31 Allowed 'General case' 0 N--CA 1.469 0.491 0 CA-C-O 120.671 0.272 . . . . 15.0 111.631 -178.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 40.4 m -150.2 145.26 26.14 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 122.28 -0.263 . . . . 15.0 111.12 178.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.585 ' HB ' HG21 ' A' ' 30' ' ' ILE . 9.0 t -125.69 149.73 48.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.287 -0.415 . . . . 15.0 110.495 178.537 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.501 HG23 ' CZ3' ' A' ' 17' ' ' TRP . 10.1 t -149.86 150.14 31.5 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.062 0.458 . . . . 15.0 111.182 177.552 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.523 ' HZ2' ' HD3' ' B' ' 115' ' ' PRO . 12.2 m95 -105.08 1.57 28.62 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.943 -0.762 . . . . 15.0 108.943 175.693 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -81.26 -19.14 43.71 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.793 -0.64 . . . . 15.0 111.441 -175.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.543 ' OD2' ' HG ' ' A' ' 44' ' ' LEU . 16.0 t0 68.16 118.08 0.03 OUTLIER Pre-proline 0 N--CA 1.468 0.446 0 O-C-N 124.032 0.832 . . . . 15.0 112.416 -178.818 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.789 ' HG2' ' HG2' ' A' ' 14' ' ' PRO . 58.3 Cg_endo -73.84 -9.72 22.61 Favored 'Trans proline' 0 N--CA 1.461 -0.402 0 C-N-CA 122.521 2.147 . . . . 15.0 112.977 176.55 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 81.5 mtp180 -80.07 -28.64 39.16 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 121.049 0.452 . . . . 15.0 109.873 175.454 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.543 ' HG ' ' OD2' ' A' ' 41' ' ' ASP . 96.4 mt -80.12 -9.92 59.73 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.673 -0.694 . . . . 15.0 109.849 172.784 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.783 ' HG2' ' H ' ' A' ' 46' ' ' ILE . 75.4 tttt -107.28 -162.85 0.86 Allowed 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.765 -0.828 . . . . 15.0 108.765 175.821 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.783 ' H ' ' HG2' ' A' ' 45' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.407 -0.806 . . . . 15.0 109.123 177.738 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 27.7 m . . . . . 0 N--CA 1.474 0.765 0 CA-C-O 120.657 0.265 . . . . 15.0 110.347 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 113' ' ' ALA . . . . . 0.666 ' HB1' ' HD3' ' B' ' 114' ' ' PRO . . . -80.75 -54.88 0.74 Allowed Pre-proline 0 CA--C 1.536 0.432 0 N-CA-C 112.389 0.514 . . . . 15.0 112.389 -176.817 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 114' ' ' PRO . . . . . 0.666 ' HD3' ' HB1' ' B' ' 113' ' ' ALA . 25.3 Cg_exo -63.81 125.37 15.26 Favored 'Trans proline' 0 C--N 1.356 0.971 0 C-N-CA 121.948 1.765 . . . . 15.0 112.643 -178.871 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 115' ' ' PRO . . . . . 0.523 ' HD3' ' HZ2' ' A' ' 39' ' ' TRP . 14.3 Cg_exo -69.26 147.85 67.02 Favored 'Trans proline' 0 C--O 1.233 0.229 0 C-N-CA 123.279 2.653 . . . . 15.0 110.875 177.549 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -67.7 119.9 13.19 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.073 0.463 . . . . 15.0 109.963 -179.66 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 117' ' ' TYR . . . . . 1.073 ' HE2' ' HB ' ' A' ' 30' ' ' ILE . 2.9 t80 -92.7 126.9 37.99 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.88 -0.6 . . . . 15.0 110.436 -175.805 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 118' ' ' MET . . . . . . . . . . . . . 22.6 ptt? -179.59 58.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.588 0.709 . . . . 15.0 111.031 174.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -91.05 -80.91 0.33 Allowed 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 115.315 -0.857 . . . . 15.0 109.151 175.775 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.133 0 CA-C-O 118.3 -0.857 . . . . 15.0 109.703 177.587 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 27.1 p90 . . . . . 0 N--CA 1.481 1.087 0 N-CA-C 111.621 0.23 . . . . 15.0 111.621 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.529 ' HB3' ' HD2' ' A' ' 14' ' ' PRO . 93.8 mt 63.63 170.22 0.09 OUTLIER Pre-proline 0 N--CA 1.469 0.517 0 O-C-N 123.288 0.367 . . . . 15.0 110.801 -176.118 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.757 ' HB2' ' CD1' ' A' ' 17' ' ' TRP . 9.2 Cg_endo -53.86 149.38 33.87 Favored 'Trans proline' 0 N--CA 1.462 -0.364 0 C-N-CA 122.363 2.042 . . . . 15.0 110.731 168.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.7 mmmm -52.84 101.91 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 113.057 0.762 . . . . 15.0 113.057 -172.491 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.09 30.44 42.31 Favored Glycine 0 N--CA 1.45 -0.372 0 CA-C-N 115.729 -0.669 . . . . 15.0 114.582 169.543 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.757 ' CD1' ' HB2' ' A' ' 14' ' ' PRO . 73.4 m95 -105.88 132.94 51.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 117.815 0.807 . . . . 15.0 111.29 177.476 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.581 ' HB2' ' CE1' ' A' ' 32' ' ' HIS . 8.9 tp10 -108.83 149.91 28.41 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.268 -0.878 . . . . 15.0 109.056 175.671 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 6.3 p -102.83 96.59 4.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-O 121.586 0.707 . . . . 15.0 110.283 179.203 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.517 ' HD2' ' CZ ' ' A' ' 28' ' ' PHE . 24.0 ttm180 -95.03 128.61 42.0 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.753 -0.832 . . . . 15.0 108.753 178.356 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 10.0 t-80 -89.9 113.91 25.61 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 120.884 0.373 . . . . 15.0 110.663 -175.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -88.19 157.72 50.43 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-N 115.956 -0.565 . . . . 15.0 110.716 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 21.9 Cg_exo -66.59 3.5 1.41 Allowed 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 123.126 2.55 . . . . 15.0 112.451 176.531 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 56.7 m-80 -77.66 8.52 4.33 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.056 -0.52 . . . . 15.0 110.975 178.487 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 61.31 30.66 74.68 Favored Glycine 0 CA--C 1.504 -0.617 0 N-CA-C 109.514 -1.434 . . . . 15.0 109.514 -169.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.718 ' HG2' ' CE3' ' A' ' 39' ' ' TRP . 17.0 tpt180 -144.41 130.75 9.97 Favored Pre-proline 0 N--CA 1.439 -0.981 0 CA-C-N 114.089 -1.055 . . . . 15.0 110.666 -168.868 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_endo -89.56 122.18 1.13 Allowed 'Trans proline' 0 N--CA 1.455 -0.761 0 C-N-CA 122.65 2.233 . . . . 15.0 111.122 168.576 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.517 ' CZ ' ' HD2' ' A' ' 20' ' ' ARG . 39.3 p90 -101.81 140.14 36.51 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.752 -0.462 . . . . 15.0 109.752 179.557 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -89.91 136.95 32.73 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.833 -0.622 . . . . 15.0 110.391 -174.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.852 ' HB ' ' CE2' ' B' ' 117' ' ' TYR . 27.2 pt -134.45 126.31 48.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 N-CA-C 114.885 1.439 . . . . 15.0 114.885 -175.52 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -90.08 125.01 35.27 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 114.739 -1.119 . . . . 15.0 110.461 175.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.581 ' CE1' ' HB2' ' A' ' 18' ' ' GLU . 22.1 m80 -92.7 -1.23 57.02 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.149 -0.478 . . . . 15.0 111.107 -175.574 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 45.1 m-80 -82.8 -44.14 15.87 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 121.017 -0.273 . . . . 15.0 110.632 -177.641 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 29.4 p -126.32 12.97 7.65 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 111.777 0.288 . . . . 15.0 111.777 -176.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.501 ' HD3' ' HA ' ' B' ' 118' ' ' MET . 37.2 mttm 49.56 78.62 0.09 Allowed 'General case' 0 CA--C 1.531 0.232 0 CA-C-O 121.33 0.586 . . . . 15.0 112.096 -176.382 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.8 t -142.24 149.96 40.31 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.767 -0.651 . . . . 15.0 109.666 176.219 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 11.3 t -137.36 150.03 47.42 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.952 0.406 . . . . 15.0 111.248 -173.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 4.1 t -145.22 146.44 31.72 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.994 -0.548 . . . . 15.0 110.793 179.714 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.718 ' CE3' ' HG2' ' A' ' 26' ' ' ARG . 77.8 m95 -83.77 -32.25 25.51 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 109.883 -0.414 . . . . 15.0 109.883 175.166 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -82.25 139.97 33.92 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 109.245 -0.65 . . . . 15.0 109.245 178.109 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 45.2 t0 -68.15 115.91 33.71 Favored Pre-proline 0 C--N 1.321 -0.648 0 CA-C-N 115.756 -0.656 . . . . 15.0 112.431 -171.497 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.433 ' HG2' ' HG3' ' A' ' 14' ' ' PRO . 72.4 Cg_endo -76.24 -9.71 19.09 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 123.093 2.529 . . . . 15.0 112.115 176.054 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.589 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 63.1 ttt180 -66.56 -26.62 67.21 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.15 0.5 . . . . 15.0 109.839 177.399 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 96.1 mt -80.14 -24.97 40.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.634 -0.712 . . . . 15.0 111.303 176.387 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 24.3 pttm -167.14 125.46 1.32 Allowed 'General case' 0 C--O 1.234 0.244 0 CA-C-O 121.163 0.506 . . . . 15.0 110.322 -177.376 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 6.0 tp . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.481 -0.771 . . . . 15.0 110.361 -176.252 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 38.0 m . . . . . 0 N--CA 1.477 0.924 0 N-CA-C 110.291 -0.262 . . . . 15.0 110.291 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 113' ' ' ALA . . . . . . . . . . . . . . . -129.04 149.92 73.91 Favored Pre-proline 0 C--N 1.325 -0.463 0 CA-C-N 116.711 -0.222 . . . . 15.0 110.73 -177.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 114' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_endo -57.03 127.88 27.6 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.934 2.423 . . . . 15.0 111.88 177.1 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 115' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -66.64 134.19 34.45 Favored 'Trans proline' 0 C--O 1.234 0.295 0 C-N-CA 122.758 2.305 . . . . 15.0 112.162 -177.429 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -58.35 119.96 7.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.215 0.531 . . . . 15.0 109.863 176.412 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 117' ' ' TYR . . . . . 0.852 ' CE2' ' HB ' ' A' ' 30' ' ' ILE . 0.3 OUTLIER -89.43 120.66 30.95 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.035 -0.529 . . . . 15.0 111.133 -174.341 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 118' ' ' MET . . . . . 0.501 ' HA ' ' HD3' ' A' ' 35' ' ' LYS . 54.8 ttp -172.19 106.02 0.19 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.052 -0.976 . . . . 15.0 109.175 169.783 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -104.68 -83.48 0.5 Allowed 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.231 -0.655 . . . . 15.0 109.231 179.002 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.97 0 CA-C-O 118.472 -0.775 . . . . 15.0 109.183 175.619 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 27.3 p90 . . . . . 0 N--CA 1.484 1.226 0 N-CA-C 111.606 0.224 . . . . 15.0 111.606 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.569 ' HB2' ' HD2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -98.37 168.65 9.53 Favored Pre-proline 0 C--N 1.329 -0.32 0 O-C-N 122.285 -0.26 . . . . 15.0 110.485 178.319 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.777 ' HG2' ' HG2' ' A' ' 42' ' ' PRO . 36.8 Cg_exo -42.13 125.45 3.3 Favored 'Trans proline' 0 C--N 1.35 0.621 0 C-N-CA 123.46 2.774 . . . . 15.0 113.56 176.464 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 43.9 tttm -60.82 113.18 2.36 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.54 -0.754 . . . . 15.0 110.852 179.231 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 125.64 -20.08 6.53 Favored Glycine 0 N--CA 1.449 -0.494 0 CA-C-N 115.795 -0.639 . . . . 15.0 112.23 -178.523 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.615 ' HA ' ' O ' ' A' ' 30' ' ' ILE . 83.4 m95 -103.54 128.72 50.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.177 0.513 . . . . 15.0 111.276 -179.189 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.519 ' O ' HG12 ' A' ' 30' ' ' ILE . 23.7 mt-10 -100.39 143.85 30.09 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.545 -0.752 . . . . 15.0 109.602 172.082 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 24.8 t -93.98 105.6 17.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-O 120.918 0.389 . . . . 15.0 110.246 178.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.482 ' HD2' ' CZ ' ' A' ' 28' ' ' PHE . 60.3 ttm-85 -107.52 122.26 46.29 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.282 -0.636 . . . . 15.0 109.282 179.181 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.684 ' HA ' ' HA ' ' A' ' 27' ' ' PRO . 36.1 t-80 -89.8 123.54 33.87 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.077 0.465 . . . . 15.0 110.298 -173.304 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.4 ' C ' ' H ' ' A' ' 24' ' ' ASN . . . -94.66 163.68 21.88 Favored Pre-proline 0 C--N 1.322 -0.594 0 CA-C-N 115.737 -0.665 . . . . 15.0 110.992 -177.087 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo -69.17 6.26 1.18 Allowed 'Trans proline' 0 C--N 1.349 0.59 0 C-N-CA 123.072 2.515 . . . . 15.0 112.077 173.465 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.4 ' H ' ' C ' ' A' ' 22' ' ' ALA . 12.7 m120 -81.19 13.68 2.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.743 -0.662 . . . . 15.0 110.671 176.726 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 56.39 30.2 58.15 Favored Glycine 0 C--N 1.337 0.606 0 N-CA-C 109.95 -1.26 . . . . 15.0 109.95 -171.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.663 ' HG2' ' HE3' ' A' ' 39' ' ' TRP . 17.1 ttt180 -149.78 136.94 11.21 Favored Pre-proline 0 N--CA 1.44 -0.968 0 CA-C-N 114.525 -0.837 . . . . 15.0 110.571 -169.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.684 ' HA ' ' HA ' ' A' ' 21' ' ' HIS . 13.1 Cg_endo -89.52 128.45 1.75 Allowed 'Trans proline' 0 N--CA 1.452 -0.915 0 C-N-CA 122.523 2.149 . . . . 15.0 111.606 171.605 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.482 ' CZ ' ' HD2' ' A' ' 20' ' ' ARG . 8.0 p90 -102.44 142.9 32.89 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-O 121.338 0.59 . . . . 15.0 109.673 174.411 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.414 ' O ' ' HA ' ' A' ' 37' ' ' THR . 98.7 m-85 -90.07 137.53 32.27 Favored 'General case' 0 CA--C 1.502 -0.869 0 CA-C-N 115.521 -0.763 . . . . 15.0 110.382 -177.267 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.759 ' HB ' ' CE2' ' B' ' 117' ' ' TYR . 26.2 pt -127.45 125.18 65.23 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.926 0 N-CA-C 114.414 1.265 . . . . 15.0 114.414 -175.689 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.46 ' HB2' ' CE2' ' A' ' 17' ' ' TRP . 5.1 t70 -97.74 126.8 43.28 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 114.034 -1.439 . . . . 15.0 110.896 -179.141 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 83.4 m-70 -91.13 -2.11 57.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.911 -0.586 . . . . 15.0 111.406 -178.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 38.1 m-80 -87.47 -54.26 4.38 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.69 0.281 . . . . 15.0 111.672 -175.166 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.407 ' O ' HG21 ' A' ' 34' ' ' THR . 7.1 m -116.85 16.0 15.25 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.134 0.492 . . . . 15.0 111.321 -172.454 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.473 ' HE2' ' HA ' ' B' ' 118' ' ' MET . 10.8 mmmm 55.54 73.69 0.41 Allowed 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.098 -0.501 . . . . 15.0 111.453 -179.705 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 7.3 p -144.59 150.19 37.04 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 112.366 0.506 . . . . 15.0 112.366 -177.258 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.619 ' HG1' HG21 ' A' ' 30' ' ' ILE . 98.8 m -132.53 137.03 47.0 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.547 -0.752 . . . . 15.0 110.206 177.805 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.532 HG21 ' CZ3' ' A' ' 17' ' ' TRP . 4.8 t -135.21 141.45 45.83 Favored 'General case' 0 C--O 1.224 -0.281 0 CA-C-O 121.027 0.441 . . . . 15.0 111.231 179.587 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.663 ' HE3' ' HG2' ' A' ' 26' ' ' ARG . 96.1 m95 -84.48 -11.84 55.4 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.156 -0.474 . . . . 15.0 110.205 178.424 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.701 ' HB3' HD21 ' A' ' 44' ' ' LEU . 35.8 mt-10 -114.66 134.5 55.02 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.638 -0.71 . . . . 15.0 109.705 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.628 ' O ' ' HG ' ' A' ' 44' ' ' LEU . 25.4 t0 -48.53 118.53 7.02 Favored Pre-proline 0 N--CA 1.465 0.32 0 O-C-N 123.91 0.756 . . . . 15.0 111.165 -176.202 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.777 ' HG2' ' HG2' ' A' ' 14' ' ' PRO . 10.0 Cg_endo -52.16 -10.16 0.67 Allowed 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 123.571 2.848 . . . . 15.0 114.689 178.483 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 92.4 mtt-85 -60.68 -28.65 68.77 Favored 'General case' 0 C--N 1.33 -0.282 0 O-C-N 122.026 -0.421 . . . . 15.0 111.105 174.006 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.701 HD21 ' HB3' ' A' ' 40' ' ' GLU . 4.6 pp -80.38 -10.39 59.75 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 120.866 -0.334 . . . . 15.0 110.968 176.496 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.571 ' HG2' ' HA ' ' A' ' 42' ' ' PRO . 31.5 mmmt -79.4 -31.83 42.84 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-O 121.147 0.499 . . . . 15.0 110.062 179.742 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 46.5 mm . . . . . 0 C--O 1.249 1.072 0 CA-C-N 115.41 -0.814 . . . . 15.0 109.557 178.834 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 14.4 t . . . . . 0 N--CA 1.476 0.867 0 N-CA-C 110.336 -0.246 . . . . 15.0 110.336 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 113' ' ' ALA . . . . . . . . . . . . . . . -145.04 122.95 6.46 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-N 116.591 -0.277 . . . . 15.0 110.727 179.608 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 114' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_endo -63.56 124.01 13.01 Favored 'Trans proline' 0 C--O 1.235 0.347 0 C-N-CA 122.655 2.237 . . . . 15.0 113.019 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 115' ' ' PRO . . . . . . . . . . . . . 6.5 Cg_endo -88.64 134.55 2.81 Favored 'Trans proline' 0 N--CA 1.452 -0.958 0 C-N-CA 123.436 2.758 . . . . 15.0 111.64 177.4 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -70.53 121.71 18.32 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.507 -0.553 . . . . 15.0 109.507 176.382 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 117' ' ' TYR . . . . . 0.759 ' CE2' ' HB ' ' A' ' 30' ' ' ILE . 38.8 t80 -86.83 119.8 27.44 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 120.643 -0.423 . . . . 15.0 111.454 -175.591 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 118' ' ' MET . . . . . 0.473 ' HA ' ' HE2' ' A' ' 35' ' ' LYS . 25.5 mmt -151.7 64.84 0.86 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.904 -0.589 . . . . 15.0 109.721 171.633 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -97.25 4.64 50.89 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.226 -0.443 . . . . 15.0 110.876 -179.523 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.983 0 CA-C-O 118.714 -0.66 . . . . 15.0 110.241 179.357 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.687 ' HG2' ' HG2' ' A' ' 42' ' ' PRO . 9.3 Cg_exo . . . . . 0 C--O 1.235 0.346 0 N-CA-C 114.921 1.085 . . . . 15.0 114.921 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 23.4 tptm -58.72 117.53 4.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 114.842 -1.072 . . . . 15.0 110.924 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 114.13 -22.37 14.12 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.848 -0.692 . . . . 15.0 112.185 179.542 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.612 ' CD1' ' HB2' ' A' ' 14' ' ' PRO . 76.5 m95 -89.91 136.73 32.87 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.884 0.85 . . . . 15.0 111.217 -177.36 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.42 ' O ' HG12 ' A' ' 30' ' ' ILE . 7.8 tt0 -101.14 144.75 29.65 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 114.226 -1.352 . . . . 15.0 108.941 177.384 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 9.9 p -106.87 119.61 56.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.509 0.671 . . . . 15.0 109.6 172.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.505 ' HB2' HD11 ' A' ' 30' ' ' ILE . 26.7 ttm180 -124.02 133.28 53.7 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 109.3 -0.63 . . . . 15.0 109.3 -178.908 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 4.0 t-80 -92.95 114.42 26.97 Favored 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 120.75 -0.38 . . . . 15.0 110.275 -177.286 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -93.51 163.06 25.85 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 115.909 -0.587 . . . . 15.0 110.692 -178.379 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_exo -64.28 -0.59 2.97 Favored 'Trans proline' 0 C--N 1.35 0.632 0 C-N-CA 123.059 2.506 . . . . 15.0 112.432 177.373 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -75.03 5.66 5.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.837 -0.619 . . . . 15.0 111.012 175.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 61.12 27.2 66.94 Favored Glycine 0 CA--C 1.505 -0.551 0 N-CA-C 109.375 -1.49 . . . . 15.0 109.375 -171.152 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.715 ' HG2' ' CE3' ' A' ' 39' ' ' TRP . 26.8 tpt180 -136.72 132.83 18.67 Favored Pre-proline 0 N--CA 1.441 -0.878 0 CA-C-N 114.221 -0.99 . . . . 15.0 110.849 -168.445 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 8.3 Cg_endo -89.62 112.35 0.52 Allowed 'Trans proline' 0 N--CA 1.449 -1.13 0 C-N-CA 122.445 2.097 . . . . 15.0 110.736 168.079 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.528 ' H ' ' HD1' ' A' ' 28' ' ' PHE . 0.9 OUTLIER -95.5 139.47 31.73 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.21 -0.663 . . . . 15.0 109.21 179.303 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.651 ' HB2' ' OG1' ' A' ' 38' ' ' THR . 92.2 m-85 -89.75 131.13 35.86 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.003 -0.544 . . . . 15.0 110.169 -174.316 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.646 ' HB ' ' CE1' ' B' ' 117' ' ' TYR . 0.0 OUTLIER -139.62 112.81 6.03 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.405 0 N-CA-C 115.029 1.492 . . . . 15.0 115.029 -172.738 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.464 ' HB2' ' CD2' ' A' ' 17' ' ' TRP . 9.9 t0 -89.99 129.45 36.32 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.571 -0.74 . . . . 15.0 110.81 178.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 62.0 m-70 -88.98 -18.64 26.99 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.472 -0.785 . . . . 15.0 111.723 -176.149 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -91.61 -20.09 22.02 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.35 -0.54 . . . . 15.0 111.854 -171.576 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.0 m -117.23 -4.01 11.44 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.84 -0.344 . . . . 15.0 111.04 176.584 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 48.3 mmtm 58.32 73.57 0.47 Allowed 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 122.88 0.472 . . . . 15.0 111.315 -176.591 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.9 p -146.52 150.09 34.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.398 -0.365 . . . . 15.0 111.439 -178.835 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.429 HG21 ' O ' ' B' ' 115' ' ' PRO . 9.0 t -131.74 147.87 52.53 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.078 -0.51 . . . . 15.0 109.94 177.123 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.651 ' OG1' ' HB2' ' A' ' 29' ' ' PHE . 34.2 p -144.08 149.99 37.46 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.303 -0.408 . . . . 15.0 110.454 -176.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.715 ' CE3' ' HG2' ' A' ' 26' ' ' ARG . 95.1 m95 -95.38 -33.87 12.34 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.337 -0.616 . . . . 15.0 109.337 171.356 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -88.56 140.57 29.32 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.614 -0.721 . . . . 15.0 109.656 174.678 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.422 ' HA ' ' HD2' ' A' ' 42' ' ' PRO . 9.8 t70 -54.48 121.9 35.22 Favored Pre-proline 0 C--N 1.327 -0.381 0 O-C-N 123.501 0.501 . . . . 15.0 110.508 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.687 ' HG2' ' HG2' ' A' ' 14' ' ' PRO . 11.2 Cg_endo . . . . . 0 C--N 1.347 0.479 0 C-N-CA 123.714 2.943 . . . . 15.0 114.609 -177.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 114' ' ' PRO . . . . . 0.479 ' HA ' ' HD3' ' B' ' 115' ' ' PRO . 73.7 Cg_endo . . . . . 0 C--O 1.234 0.321 0 CA-C-O 120.852 0.272 . . . . 15.0 112.366 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 115' ' ' PRO . . . . . 0.479 ' HD3' ' HA ' ' B' ' 114' ' ' PRO . 6.3 Cg_exo -79.41 135.48 11.9 Favored 'Trans proline' 0 N--CA 1.461 -0.43 0 C-N-CA 123.117 2.545 . . . . 15.0 111.788 178.18 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -65.27 136.53 56.7 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.395 -0.965 . . . . 15.0 108.395 174.137 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 117' ' ' TYR . . . . . 0.646 ' CE1' ' HB ' ' A' ' 30' ' ' ILE . 45.3 t80 -104.25 126.17 51.13 Favored 'General case' 0 C--N 1.316 -0.878 0 C-N-CA 120.11 -0.636 . . . . 15.0 112.623 -170.526 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 118' ' ' MET . . . . . . . . . . . . . 12.7 tpt -163.35 91.53 0.7 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.13 -0.941 . . . . 15.0 109.111 166.764 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 -125.99 109.31 12.29 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 114.585 -1.189 . . . . 15.0 110.308 -175.389 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.97 0 CA-C-O 118.475 -0.774 . . . . 15.0 110.003 -179.482 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.723 ' HG2' ' HB2' ' A' ' 42' ' ' PRO . 15.3 Cg_exo . . . . . 0 CA--C 1.529 0.242 0 CA-C-O 121.089 0.37 . . . . 15.0 112.611 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -76.08 11.82 1.35 Allowed 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 112.925 0.713 . . . . 15.0 112.925 -169.529 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.502 ' O ' ' HA ' ' A' ' 31' ' ' ASP . . . -114.14 -6.89 19.93 Favored Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 120.384 -0.912 . . . . 15.0 111.887 175.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.657 ' CE2' ' HB2' ' A' ' 31' ' ' ASP . 65.0 m95 -111.19 129.5 55.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.399 0.619 . . . . 15.0 112.183 -171.473 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -94.68 147.87 22.86 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.005 -0.998 . . . . 15.0 110.325 173.803 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.453 ' O ' HG13 ' A' ' 19' ' ' VAL . 7.4 p -97.77 90.96 2.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 121.652 0.739 . . . . 15.0 110.044 177.182 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' A' ' 20' ' ' ARG . 3.7 tpp180 -96.4 125.59 41.0 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.555 -0.535 . . . . 15.0 109.555 -178.083 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.471 ' HA ' ' HA ' ' A' ' 27' ' ' PRO . 7.7 t-80 -90.2 128.46 36.38 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.8 0.333 . . . . 15.0 110.744 -174.54 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -108.98 160.72 26.36 Favored Pre-proline 0 C--N 1.327 -0.405 0 CA-C-N 116.182 -0.463 . . . . 15.0 110.375 178.008 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_exo -64.36 3.65 0.77 Allowed 'Trans proline' 0 C--N 1.35 0.651 0 C-N-CA 123.185 2.59 . . . . 15.0 112.79 176.535 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -71.14 -3.15 18.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.827 -0.624 . . . . 15.0 111.105 175.085 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 69.73 12.86 68.1 Favored Glycine 0 N--CA 1.448 -0.517 0 N-CA-C 109.358 -1.497 . . . . 15.0 109.358 -168.222 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.478 ' HG2' ' HE3' ' A' ' 39' ' ' TRP . 19.5 ttp180 -130.56 132.62 24.1 Favored Pre-proline 0 N--CA 1.44 -0.937 0 CA-C-N 113.884 -1.158 . . . . 15.0 109.803 -172.463 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.471 ' HA ' ' HA ' ' A' ' 21' ' ' HIS . 7.0 Cg_endo -89.66 119.08 0.84 Allowed 'Trans proline' 0 N--CA 1.445 -1.348 0 C-N-CA 121.976 1.784 . . . . 15.0 110.695 170.242 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 49.0 p90 -89.69 137.59 32.2 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 108.944 -0.761 . . . . 15.0 108.944 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.436 ' O ' ' HA ' ' A' ' 37' ' ' THR . 96.8 m-85 -90.1 139.39 30.67 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 116.077 -0.51 . . . . 15.0 110.214 -175.684 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.604 ' HB ' ' CE2' ' B' ' 117' ' ' TYR . 10.4 pt -138.17 126.29 30.37 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.491 0 N-CA-C 114.016 1.117 . . . . 15.0 114.016 -177.69 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.657 ' HB2' ' CE2' ' A' ' 17' ' ' TRP . 15.9 t70 -89.82 132.25 35.35 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 115.175 -0.92 . . . . 15.0 109.891 179.459 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 61.6 m-70 -95.17 -22.65 17.71 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 113.109 0.781 . . . . 15.0 113.109 -174.132 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -81.76 -30.01 32.58 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 120.26 -0.576 . . . . 15.0 109.884 -177.576 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 18.0 p -134.9 103.7 5.7 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 108.174 -1.047 . . . . 15.0 108.174 170.189 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.536 ' HB3' ' CD1' ' B' ' 117' ' ' TYR . 11.7 mmmt -57.68 97.19 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 116.523 -0.308 . . . . 15.0 111.669 -166.895 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.7 p -145.03 150.0 36.1 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.838 -0.619 . . . . 15.0 110.622 -179.6 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.436 ' HA ' ' O ' ' A' ' 29' ' ' PHE . 10.2 t -129.03 144.94 51.35 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-O 120.685 0.279 . . . . 15.0 111.287 -177.475 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.523 ' HB ' ' OE2' ' A' ' 40' ' ' GLU . 66.4 p -133.01 150.06 52.18 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.229 -0.441 . . . . 15.0 110.695 178.314 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.478 ' HE3' ' HG2' ' A' ' 26' ' ' ARG . 99.8 m95 -93.85 -19.93 20.53 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.058 0.456 . . . . 15.0 109.974 174.616 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.523 ' OE2' ' HB ' ' A' ' 38' ' ' THR . 0.0 OUTLIER -103.8 144.5 31.41 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.734 -0.666 . . . . 15.0 110.159 175.674 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.423 ' HA ' ' HD2' ' A' ' 42' ' ' PRO . 7.2 t70 -58.52 123.15 65.42 Favored Pre-proline 0 C--N 1.324 -0.536 0 CA-C-N 115.37 -0.832 . . . . 15.0 111.392 -172.822 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.723 ' HB2' ' HG2' ' A' ' 14' ' ' PRO . 12.0 Cg_endo . . . . . 0 C--N 1.348 0.506 0 C-N-CA 122.926 2.417 . . . . 15.0 114.05 177.251 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 114' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_exo . . . . . 0 C--O 1.235 0.372 0 N-CA-C 110.929 -0.45 . . . . 15.0 110.929 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 115' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -60.14 130.17 33.22 Favored 'Trans proline' 0 N--CA 1.461 -0.4 0 C-N-CA 122.624 2.216 . . . . 15.0 112.194 -178.198 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 116' ' ' GLU . . . . . 0.519 ' CD ' ' H ' ' B' ' 116' ' ' GLU . 1.3 mp0 -56.07 133.98 52.31 Favored 'General case' 0 CA--C 1.516 -0.362 0 N-CA-C 108.664 -0.865 . . . . 15.0 108.664 175.043 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 117' ' ' TYR . . . . . 0.604 ' CE2' ' HB ' ' A' ' 30' ' ' ILE . 0.3 OUTLIER -107.3 119.88 40.61 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-O 121.377 0.608 . . . . 15.0 111.227 -169.89 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 118' ' ' MET . . . . . 0.426 ' N ' ' HD1' ' B' ' 117' ' ' TYR . 12.1 tmm? -160.03 105.75 1.56 Allowed 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 106.83 -1.545 . . . . 15.0 106.83 166.306 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 18.6 tp10 -173.49 123.52 0.37 Allowed 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.511 -0.768 . . . . 15.0 109.136 -168.357 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.875 0 CA-C-O 118.673 -0.679 . . . . 15.0 111.174 -179.056 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.917 ' HG2' ' HB2' ' A' ' 42' ' ' PRO . 67.4 Cg_exo . . . . . 0 N--CA 1.473 0.293 0 N-CA-C 113.326 0.472 . . . . 15.0 113.326 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 54.5 mttm -65.64 120.72 13.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.682 -0.69 . . . . 15.0 110.676 -178.612 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 116.74 -15.21 14.3 Favored Glycine 0 N--CA 1.449 -0.46 0 N-CA-C 111.437 -0.665 . . . . 15.0 111.437 -177.4 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.648 ' CD1' ' HB2' ' A' ' 14' ' ' PRO . 69.6 m95 -99.34 128.95 45.51 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.31 0.576 . . . . 15.0 110.503 178.758 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.416 ' HB2' HG13 ' A' ' 30' ' ' ILE . 48.7 mm-40 -95.92 142.61 27.95 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 115.625 -0.716 . . . . 15.0 110.028 175.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 9.9 p -96.52 107.72 20.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.7 0.762 . . . . 15.0 110.068 175.082 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 21.9 tpp180 -109.36 126.01 52.97 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.996 -0.742 . . . . 15.0 108.996 -179.59 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.402 ' HA ' ' HA ' ' A' ' 27' ' ' PRO . 7.7 t-80 -91.95 120.16 32.35 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.89 0.376 . . . . 15.0 110.999 -174.574 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.452 ' HB1' ' HD2' ' A' ' 23' ' ' PRO . . . -92.59 161.62 31.69 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-N 115.832 -0.622 . . . . 15.0 110.841 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.452 ' HD2' ' HB1' ' A' ' 22' ' ' ALA . 42.3 Cg_endo -67.67 5.85 0.9 Allowed 'Trans proline' 0 C--N 1.351 0.695 0 C-N-CA 122.923 2.415 . . . . 15.0 112.478 176.768 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.51 ' HB3' ' HB3' ' A' ' 26' ' ' ARG . 64.1 t30 -80.93 4.09 20.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.721 -0.672 . . . . 15.0 109.787 176.505 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 63.1 33.28 86.83 Favored Glycine 0 CA--C 1.505 -0.564 0 N-CA-C 109.277 -1.529 . . . . 15.0 109.277 -170.81 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.705 ' HG2' ' CE3' ' A' ' 39' ' ' TRP . 8.7 tpt180 -142.92 130.73 11.15 Favored Pre-proline 0 N--CA 1.443 -0.776 0 CA-C-N 114.06 -1.07 . . . . 15.0 110.236 -168.343 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 26' ' ' ARG . 8.1 Cg_endo -89.76 124.38 1.27 Allowed 'Trans proline' 0 N--CA 1.453 -0.896 0 C-N-CA 122.178 1.919 . . . . 15.0 111.284 170.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 46.9 p90 -100.31 136.94 39.43 Favored 'General case' 0 N--CA 1.448 -0.531 0 N-CA-C 109.627 -0.509 . . . . 15.0 109.627 177.473 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.482 ' HB2' HG23 ' A' ' 38' ' ' THR . 80.8 m-85 -89.49 133.45 34.56 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.582 -0.735 . . . . 15.0 110.179 -175.199 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.881 ' HB ' ' HE2' ' B' ' 117' ' ' TYR . 15.1 pt -136.02 127.5 44.14 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.643 0 N-CA-C 114.756 1.391 . . . . 15.0 114.756 -174.211 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.64 ' HB2' ' CE2' ' A' ' 17' ' ' TRP . 11.2 t70 -98.03 129.56 44.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 114.936 -1.029 . . . . 15.0 111.0 -179.124 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.425 ' HE1' ' OE1' ' B' ' 119' ' ' GLU . 93.7 m-70 -87.07 -17.6 32.51 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.196 -0.456 . . . . 15.0 111.164 -179.205 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 43.6 m-80 -71.91 -59.07 2.94 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.069 0.461 . . . . 15.0 110.799 -175.766 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -100.36 0.49 40.07 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.773 -0.649 . . . . 15.0 111.719 -171.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.409 ' HA ' ' CD1' ' B' ' 117' ' ' TYR . 47.7 mmtm 57.71 81.12 0.15 Allowed 'General case' 0 C--O 1.232 0.143 0 CA-C-O 120.998 0.428 . . . . 15.0 110.237 -174.614 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 28.0 m -149.73 145.41 26.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.346 -0.388 . . . . 15.0 111.363 -175.079 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.687 HG21 ' HG2' ' B' ' 115' ' ' PRO . 25.6 m -124.81 140.16 53.18 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 116.07 -0.514 . . . . 15.0 110.3 179.368 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.532 HG22 ' CZ3' ' A' ' 17' ' ' TRP . 5.2 t -147.3 139.82 24.73 Favored 'General case' 0 C--O 1.223 -0.315 0 CA-C-O 120.796 0.332 . . . . 15.0 110.882 177.056 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.705 ' CE3' ' HG2' ' A' ' 26' ' ' ARG . 74.7 m95 -87.49 -15.1 38.55 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.725 -0.472 . . . . 15.0 109.725 175.821 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 57.1 mm-40 -94.5 132.86 38.74 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.459 -0.791 . . . . 15.0 109.665 176.802 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -57.39 120.07 37.22 Favored Pre-proline 0 C--N 1.326 -0.417 0 O-C-N 123.614 0.571 . . . . 15.0 110.337 -179.505 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.917 ' HB2' ' HG2' ' A' ' 14' ' ' PRO . 45.9 Cg_exo . . . . . 0 C--N 1.349 0.576 0 C-N-CA 122.979 2.453 . . . . 15.0 114.126 -177.673 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 114' ' ' PRO . . . . . 0.45 ' HA ' ' HD2' ' B' ' 115' ' ' PRO . 50.0 Cg_exo . . . . . 0 C--O 1.232 0.203 0 CA-C-O 120.792 0.247 . . . . 15.0 112.266 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 115' ' ' PRO . . . . . 0.687 ' HG2' HG21 ' A' ' 37' ' ' THR . 21.2 Cg_endo -61.15 132.7 42.89 Favored 'Trans proline' 0 C--O 1.237 0.431 0 C-N-CA 122.878 2.385 . . . . 15.0 112.308 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 116' ' ' GLU . . . . . 0.472 ' H ' ' CD ' ' B' ' 116' ' ' GLU . 1.2 pm0 -63.22 119.87 10.44 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.083 -0.71 . . . . 15.0 109.083 176.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 117' ' ' TYR . . . . . 0.881 ' HE2' ' HB ' ' A' ' 30' ' ' ILE . 36.7 t80 -90.23 129.0 36.54 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 112.952 0.723 . . . . 15.0 112.952 -168.174 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 118' ' ' MET . . . . . 0.409 ' O ' ' HG3' ' B' ' 118' ' ' MET . 14.8 ptm -162.46 103.65 1.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.904 -1.044 . . . . 15.0 108.718 165.451 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 119' ' ' GLU . . . . . 0.425 ' OE1' ' HE1' ' A' ' 32' ' ' HIS . 0.5 OUTLIER -156.87 111.15 2.72 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.136 -0.69 . . . . 15.0 109.136 -175.117 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.281 -0.866 . . . . 15.0 110.839 -177.161 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.413 ' HB2' ' CD1' ' A' ' 17' ' ' TRP . 10.4 Cg_exo . . . . . 0 N--CA 1.463 -0.291 0 CA-C-O 120.81 0.254 . . . . 15.0 111.845 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.665 ' HA ' ' HE3' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -74.52 10.52 1.3 Allowed 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.965 0.728 . . . . 15.0 112.965 -171.334 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.596 ' O ' ' HA ' ' A' ' 31' ' ' ASP . . . -101.38 -14.9 29.08 Favored Glycine 0 N--CA 1.444 -0.801 0 C-N-CA 120.377 -0.916 . . . . 15.0 111.445 172.869 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.718 ' CE2' ' HB2' ' A' ' 31' ' ' ASP . 75.8 m95 -105.64 131.82 52.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.318 0.58 . . . . 15.0 111.989 -171.499 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -109.27 149.68 29.07 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.158 -0.928 . . . . 15.0 109.097 174.551 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 20.5 t -103.25 105.39 18.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 120.869 0.366 . . . . 15.0 110.291 -178.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.439 ' HD2' ' CZ ' ' A' ' 28' ' ' PHE . 40.4 ttm180 -109.9 127.39 54.7 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.993 -0.373 . . . . 15.0 109.993 179.71 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.652 ' HA ' ' HA ' ' A' ' 27' ' ' PRO . 35.8 t-80 -89.85 119.84 30.58 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.052 0.453 . . . . 15.0 110.266 -176.079 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.404 ' C ' ' H ' ' A' ' 24' ' ' ASN . . . -98.5 163.74 18.46 Favored Pre-proline 0 C--N 1.322 -0.621 0 CA-C-N 115.64 -0.709 . . . . 15.0 110.978 -176.48 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_exo -67.33 10.64 0.24 Allowed 'Trans proline' 0 C--N 1.35 0.617 0 C-N-CA 123.311 2.674 . . . . 15.0 112.752 177.108 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.404 ' H ' ' C ' ' A' ' 22' ' ' ALA . 5.9 m-20 -80.1 6.52 11.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 15.0 110.321 174.686 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 62.29 25.73 66.99 Favored Glycine 0 N--CA 1.446 -0.665 0 N-CA-C 109.773 -1.331 . . . . 15.0 109.773 -168.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.586 ' HG2' ' HE3' ' A' ' 39' ' ' TRP . 47.3 ttt180 -149.66 135.95 10.47 Favored Pre-proline 0 N--CA 1.441 -0.889 0 CA-C-N 114.63 -0.785 . . . . 15.0 110.873 -168.897 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.652 ' HA ' ' HA ' ' A' ' 21' ' ' HIS . 32.4 Cg_endo -89.87 127.73 1.57 Allowed 'Trans proline' 0 N--CA 1.454 -0.836 0 C-N-CA 122.554 2.169 . . . . 15.0 111.836 173.51 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.439 ' CZ ' ' HD2' ' A' ' 20' ' ' ARG . 2.6 p90 -99.09 146.52 26.0 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-O 121.298 0.57 . . . . 15.0 109.955 176.248 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -96.03 135.47 37.76 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 115.41 -0.813 . . . . 15.0 109.641 -178.567 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.802 ' HB ' ' CE2' ' B' ' 117' ' ' TYR . 18.0 pt -136.67 121.36 25.33 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.576 0 N-CA-C 114.448 1.277 . . . . 15.0 114.448 -174.907 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.718 ' HB2' ' CE2' ' A' ' 17' ' ' TRP . 8.5 t70 -90.1 131.49 35.93 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.706 -0.679 . . . . 15.0 110.8 178.668 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 49.6 m-70 -92.72 -10.88 35.51 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 113.738 1.014 . . . . 15.0 113.738 -173.573 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -108.68 -13.02 14.87 Favored 'General case' 0 N--CA 1.465 0.325 0 C-N-CA 119.677 -0.809 . . . . 15.0 111.946 -175.807 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.7 m -118.3 -8.39 10.58 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.108 -0.496 . . . . 15.0 110.634 178.325 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.526 ' HA ' ' CE1' ' B' ' 117' ' ' TYR . 14.2 mptt 56.02 78.13 0.21 Allowed 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 115.734 -0.666 . . . . 15.0 111.932 -177.869 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.2 p -149.94 150.2 31.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.028 -0.533 . . . . 15.0 111.431 -178.138 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 35.8 m -131.48 134.52 46.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.048 -0.524 . . . . 15.0 110.387 177.397 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.552 HG22 ' CZ3' ' A' ' 17' ' ' TRP . 8.8 t -138.48 149.21 45.19 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.843 0.354 . . . . 15.0 110.259 176.541 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.586 ' HE3' ' HG2' ' A' ' 26' ' ' ARG . 86.0 m95 -95.65 -7.17 38.31 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.149 0.499 . . . . 15.0 109.918 179.715 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -102.37 132.66 48.22 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.744 -0.662 . . . . 15.0 109.745 176.14 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 67.4 t0 -56.35 116.94 14.12 Favored Pre-proline 0 C--N 1.323 -0.557 0 CA-C-N 115.679 -0.692 . . . . 15.0 111.619 -176.475 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo . . . . . 0 C--N 1.352 0.748 0 C-N-CA 122.993 2.462 . . . . 15.0 113.654 179.372 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 114' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_exo . . . . . 0 C--O 1.232 0.224 0 CA-C-O 120.93 0.304 . . . . 15.0 112.289 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 115' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -71.55 139.86 35.11 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.761 2.307 . . . . 15.0 111.623 177.728 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.0 122.49 16.17 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.589 -0.523 . . . . 15.0 109.589 177.577 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 117' ' ' TYR . . . . . 0.802 ' CE2' ' HB ' ' A' ' 30' ' ' ILE . 38.8 t80 -96.5 121.29 38.16 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.095 0.474 . . . . 15.0 112.036 -170.033 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 118' ' ' MET . . . . . . . . . . . . . 14.5 tpt -152.38 48.87 0.76 Allowed 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 123.05 1.405 . . . . 15.0 108.565 170.624 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 119' ' ' GLU . . . . . 0.598 ' HB2' ' CZ ' ' B' ' 117' ' ' TYR . 9.8 mm-40 -90.66 120.35 31.65 Favored 'General case' 0 C--N 1.307 -1.268 0 CA-C-N 112.685 -2.052 . . . . 15.0 109.745 -179.099 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.647 -0.692 . . . . 15.0 110.089 176.7 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_exo . . . . . 0 N--CA 1.473 0.298 0 N-CA-C 114.681 0.993 . . . . 15.0 114.681 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 23.3 ttmm -69.34 -22.45 63.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.286 -0.87 . . . . 15.0 110.5 177.881 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -82.55 -22.77 57.81 Favored Glycine 0 N--CA 1.447 -0.611 0 CA-C-N 115.684 -0.689 . . . . 15.0 112.882 -178.521 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.689 ' CE2' ' HB2' ' A' ' 31' ' ' ASP . 77.0 m95 -103.48 133.3 48.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.103 0.478 . . . . 15.0 110.6 -178.895 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -114.02 149.58 35.18 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 109.125 -0.695 . . . . 15.0 109.125 176.138 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 21.8 t -105.09 96.77 4.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-O 120.789 0.328 . . . . 15.0 110.377 -178.218 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 40.5 ttm180 -104.5 146.2 29.21 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.584 -0.524 . . . . 15.0 109.584 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.473 ' HA ' ' HA ' ' A' ' 27' ' ' PRO . 12.1 t-80 -96.18 128.26 42.93 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 120.84 -0.344 . . . . 15.0 110.21 -179.73 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.484 ' HB1' ' HD2' ' A' ' 23' ' ' PRO . . . -104.18 162.98 18.25 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-N 116.087 -0.506 . . . . 15.0 110.805 -179.05 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.484 ' HD2' ' HB1' ' A' ' 22' ' ' ALA . 36.8 Cg_endo -66.22 6.15 0.56 Allowed 'Trans proline' 0 C--N 1.352 0.748 0 C-N-CA 123.105 2.536 . . . . 15.0 112.453 175.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.401 ' H ' ' C ' ' A' ' 22' ' ' ALA . 15.6 m120 -79.81 11.34 3.31 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.602 -0.726 . . . . 15.0 110.553 176.528 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 57.98 34.15 71.3 Favored Glycine 0 CA--C 1.504 -0.628 0 N-CA-C 109.886 -1.286 . . . . 15.0 109.886 -173.363 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.545 ' HG2' ' CE3' ' A' ' 39' ' ' TRP . 9.1 ttt180 -155.05 142.63 13.99 Favored Pre-proline 0 N--CA 1.441 -0.891 0 CA-C-N 114.824 -0.688 . . . . 15.0 111.04 -167.703 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.473 ' HA ' ' HA ' ' A' ' 21' ' ' HIS . 1.9 Cg_endo -89.4 132.15 2.14 Favored 'Trans proline' 0 N--CA 1.459 -0.556 0 C-N-CA 122.592 2.195 . . . . 15.0 111.301 169.455 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.457 ' CE1' ' HB2' ' A' ' 22' ' ' ALA . 8.4 p90 -112.9 138.52 49.64 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.962 -0.563 . . . . 15.0 109.777 -179.839 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.409 ' O ' ' HA ' ' A' ' 37' ' ' THR . 89.4 m-85 -89.65 136.9 32.76 Favored 'General case' 0 CA--C 1.509 -0.619 0 CA-C-N 115.812 -0.631 . . . . 15.0 109.635 -177.12 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 1.029 ' HB ' ' HE2' ' B' ' 117' ' ' TYR . 21.2 pt -136.85 124.34 32.04 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.501 0 N-CA-C 115.286 1.587 . . . . 15.0 115.286 -173.638 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.689 ' HB2' ' CE2' ' A' ' 17' ' ' TRP . 14.7 t70 -94.07 125.61 38.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 114.676 -1.147 . . . . 15.0 110.828 179.276 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 -85.13 -7.03 59.26 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.318 -0.401 . . . . 15.0 111.672 -178.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 48.8 m-80 -83.33 -40.19 19.79 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 111.924 0.342 . . . . 15.0 111.924 -171.799 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.3 m -122.52 6.85 9.51 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.642 -0.254 . . . . 15.0 111.432 -175.123 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.492 ' HA ' ' CD1' ' B' ' 117' ' ' TYR . 38.3 mmtm 59.54 73.48 0.48 Allowed 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 116.456 -0.338 . . . . 15.0 110.378 -172.597 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -137.29 150.12 47.56 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.649 -0.25 . . . . 15.0 110.997 -175.59 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.409 ' HA ' ' O ' ' A' ' 29' ' ' PHE . 9.3 t -142.06 145.45 34.36 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.778 0.323 . . . . 15.0 110.631 178.199 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.402 ' OG1' ' HB2' ' A' ' 29' ' ' PHE . 80.8 p -135.56 145.21 46.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.363 -0.381 . . . . 15.0 110.919 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.545 ' CE3' ' HG2' ' A' ' 26' ' ' ARG . 97.9 m95 -88.94 -12.87 40.4 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.599 0.714 . . . . 15.0 109.273 172.786 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -107.69 140.84 40.12 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 114.809 -1.087 . . . . 15.0 109.499 178.675 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -65.91 117.09 38.81 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-N 116.609 -0.269 . . . . 15.0 110.499 176.16 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo . . . . . 0 C--O 1.218 -0.484 0 C-N-CA 122.405 2.07 . . . . 15.0 113.031 179.42 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 114' ' ' PRO . . . . . 0.528 ' HA ' ' HD3' ' B' ' 115' ' ' PRO . 30.2 Cg_endo . . . . . 0 C--O 1.234 0.296 0 CA-C-O 120.963 0.318 . . . . 15.0 112.245 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 115' ' ' PRO . . . . . 0.528 ' HD3' ' HA ' ' B' ' 114' ' ' PRO . 3.5 Cg_exo -80.68 136.51 10.85 Favored 'Trans proline' 0 N--CA 1.46 -0.458 0 C-N-CA 123.09 2.526 . . . . 15.0 112.166 -179.017 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -66.27 122.96 18.65 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.422 -0.584 . . . . 15.0 109.422 173.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 117' ' ' TYR . . . . . 1.029 ' HE2' ' HB ' ' A' ' 30' ' ' ILE . 18.8 t80 -88.12 121.13 30.16 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 120.293 -0.563 . . . . 15.0 111.797 -172.656 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 118' ' ' MET . . . . . . . . . . . . . 56.9 ttp -155.19 88.38 1.16 Allowed 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.271 -0.877 . . . . 15.0 109.279 165.681 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 68.7 mm-40 -128.82 105.56 8.32 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 114.603 -1.18 . . . . 15.0 110.242 -176.772 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.876 0 CA-C-O 118.403 -0.808 . . . . 15.0 110.291 178.871 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.812 ' HG2' ' HB2' ' A' ' 42' ' ' PRO . 19.4 Cg_exo . . . . . 0 N--CA 1.463 -0.279 0 CA-C-O 120.329 0.054 . . . . 15.0 111.966 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.7 tppp? -52.76 111.32 0.64 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.945 0.402 . . . . 15.0 111.004 -178.199 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 123.25 -19.58 7.65 Favored Glycine 0 N--CA 1.446 -0.668 0 CA-C-N 115.699 -0.682 . . . . 15.0 111.612 -178.741 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.655 ' HA ' ' O ' ' A' ' 30' ' ' ILE . 75.1 m95 -100.91 129.63 46.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.331 0.586 . . . . 15.0 111.239 179.493 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.44 ' O ' HG12 ' A' ' 30' ' ' ILE . 21.3 mt-10 -108.05 150.11 27.58 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.006 -0.997 . . . . 15.0 109.473 175.099 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 8.9 p -108.47 118.01 55.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 C-N-CA 120.063 -0.655 . . . . 15.0 110.784 177.728 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.551 ' HD2' ' CZ ' ' A' ' 28' ' ' PHE . 9.1 ttm180 -118.08 136.8 53.35 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.037 -0.727 . . . . 15.0 109.037 176.696 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 5.3 t-80 -90.13 123.7 34.19 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 120.619 -0.432 . . . . 15.0 110.07 -178.494 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.49 ' HB1' ' HD2' ' A' ' 23' ' ' PRO . . . -86.81 176.41 3.55 Favored Pre-proline 0 C--N 1.323 -0.575 0 CA-C-N 115.604 -0.725 . . . . 15.0 110.852 -177.842 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.49 ' HD2' ' HB1' ' A' ' 22' ' ' ALA . 32.9 Cg_exo -59.5 -23.0 68.96 Favored 'Trans proline' 0 C--N 1.355 0.872 0 C-N-CA 122.057 1.838 . . . . 15.0 110.912 168.869 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.403 ' C ' ' H ' ' A' ' 26' ' ' ARG . 42.2 m-80 -60.35 145.58 47.29 Favored 'General case' 0 CA--C 1.515 -0.368 0 CA-C-N 114.937 -1.029 . . . . 15.0 109.957 169.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.88 46.49 1.17 Allowed Glycine 0 N--CA 1.453 -0.226 0 N-CA-C 110.112 -1.195 . . . . 15.0 110.112 170.41 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.566 ' HG2' ' HE3' ' A' ' 39' ' ' TRP . 44.6 ttt180 -158.28 131.99 4.9 Favored Pre-proline 0 N--CA 1.44 -0.971 0 CA-C-N 114.426 -0.887 . . . . 15.0 109.502 -168.879 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 26' ' ' ARG . 8.4 Cg_endo -89.45 131.44 2.05 Favored 'Trans proline' 0 N--CA 1.456 -0.724 0 C-N-CA 122.373 2.049 . . . . 15.0 111.617 172.686 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.551 ' CZ ' ' HD2' ' A' ' 20' ' ' ARG . 7.4 p90 -94.55 145.83 24.53 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.269 -0.573 . . . . 15.0 109.885 177.291 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -96.82 133.52 41.31 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.511 -0.768 . . . . 15.0 109.671 -178.383 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.655 ' O ' ' HA ' ' A' ' 17' ' ' TRP . 7.2 pt -132.35 123.78 50.75 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.539 0 N-CA-C 115.287 1.588 . . . . 15.0 115.287 -173.422 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.602 ' HB2' ' CE2' ' A' ' 17' ' ' TRP . 8.1 t70 -90.14 128.21 36.28 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 114.437 -1.256 . . . . 15.0 110.258 176.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 55.6 m-70 -91.68 -2.02 57.2 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.18 0.437 . . . . 15.0 112.18 -178.31 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 49.7 m-80 -81.34 -44.43 17.64 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.733 0.302 . . . . 15.0 110.375 -176.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 13.4 t -121.92 -0.19 9.6 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.188 -0.46 . . . . 15.0 110.782 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.83 ' HD3' ' HA ' ' B' ' 118' ' ' MET . 61.0 mttp 55.21 89.82 0.03 OUTLIER 'General case' 0 CA--C 1.526 0.055 0 CA-C-N 115.635 -0.711 . . . . 15.0 112.138 -176.301 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 39.1 m -146.46 134.03 20.95 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.58 -0.737 . . . . 15.0 110.693 176.56 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.771 HG21 ' HG2' ' B' ' 115' ' ' PRO . 37.8 p -96.87 129.07 44.37 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.456 -0.338 . . . . 15.0 111.277 178.448 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 68.7 p -122.56 135.59 54.67 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.884 -0.413 . . . . 15.0 109.884 174.301 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.566 ' HE3' ' HG2' ' A' ' 26' ' ' ARG . 97.1 m95 -87.72 -11.73 47.36 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.451 0.643 . . . . 15.0 109.305 174.655 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.7 mp0 -95.74 131.21 42.26 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.967 -1.015 . . . . 15.0 109.272 174.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -62.11 122.34 71.84 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 116.411 -0.359 . . . . 15.0 110.194 179.208 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.812 ' HB2' ' HG2' ' A' ' 14' ' ' PRO . 52.9 Cg_exo . . . . . 0 CA--C 1.535 0.544 0 C-N-CA 123.063 2.508 . . . . 15.0 114.463 -176.661 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 114' ' ' PRO . . . . . 0.412 ' HA ' ' HD2' ' B' ' 115' ' ' PRO . 2.0 Cg_endo . . . . . 0 N--CA 1.458 -0.564 0 N-CA-C 111.272 -0.318 . . . . 15.0 111.272 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 115' ' ' PRO . . . . . 0.771 ' HG2' HG21 ' A' ' 37' ' ' THR . 41.0 Cg_endo -68.97 143.99 56.64 Favored 'Trans proline' 0 C--O 1.236 0.378 0 C-N-CA 122.623 2.215 . . . . 15.0 111.999 179.003 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 116' ' ' GLU . . . . . 0.502 ' CD ' ' H ' ' B' ' 116' ' ' GLU . 1.4 pm0 -66.62 120.0 12.7 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.639 -0.504 . . . . 15.0 109.639 178.011 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 117' ' ' TYR . . . . . 0.636 ' CE2' ' HB ' ' A' ' 30' ' ' ILE . 1.0 OUTLIER -103.96 120.26 40.67 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.283 0.563 . . . . 15.0 112.244 -168.443 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 118' ' ' MET . . . . . 0.83 ' HA ' ' HD3' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -162.23 95.45 0.94 Allowed 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 115.251 -0.886 . . . . 15.0 109.632 165.451 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 119' ' ' GLU . . . . . 0.405 ' OE1' HD12 ' A' ' 30' ' ' ILE . 49.3 mt-10 -105.91 -87.37 0.46 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.438 0.637 . . . . 15.0 109.339 177.053 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.883 0 CA-C-N 114.916 -1.038 . . . . 15.0 108.47 176.348 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.441 ' HG2' ' HB2' ' A' ' 42' ' ' PRO . 1.4 Cg_exo . . . . . 0 C--O 1.235 0.347 0 N-CA-C 114.942 1.093 . . . . 15.0 114.942 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.3 tmmm? -62.07 118.7 7.67 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.032 -0.729 . . . . 15.0 109.032 172.114 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 121.49 -13.22 9.45 Favored Glycine 0 N--CA 1.446 -0.666 0 N-CA-C 111.349 -0.7 . . . . 15.0 111.349 -176.455 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.501 ' HA ' ' O ' ' A' ' 30' ' ' ILE . 73.1 m95 -108.92 121.95 46.19 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.419 0.628 . . . . 15.0 110.548 176.88 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.68 ' HB2' HG13 ' A' ' 30' ' ' ILE . 0.4 OUTLIER -89.96 150.09 22.3 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 114.572 -1.194 . . . . 15.0 110.276 178.497 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 10.3 p -100.64 106.59 19.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 122.255 1.026 . . . . 15.0 109.995 171.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.49 ' HB3' ' CE1' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -105.03 121.14 43.16 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 114.6 -1.182 . . . . 15.0 109.21 -177.971 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.427 ' HA ' ' HA ' ' A' ' 27' ' ' PRO . 9.0 t-80 -90.17 120.41 31.32 Favored 'General case' 0 C--N 1.317 -0.841 0 C-N-CA 120.105 -0.638 . . . . 15.0 110.728 -176.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.445 ' C ' ' H ' ' A' ' 24' ' ' ASN . . . -98.37 161.19 26.11 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-N 116.115 -0.493 . . . . 15.0 110.854 -179.495 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -68.58 14.1 0.2 Allowed 'Trans proline' 0 C--N 1.349 0.582 0 C-N-CA 123.107 2.538 . . . . 15.0 112.459 174.627 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.445 ' H ' ' C ' ' A' ' 22' ' ' ALA . 17.3 m120 -84.05 8.61 14.84 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.537 -0.756 . . . . 15.0 109.896 174.717 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 60.15 27.77 65.59 Favored Glycine 0 CA--C 1.505 -0.59 0 N-CA-C 109.702 -1.359 . . . . 15.0 109.702 -171.113 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.595 ' HG2' ' HE3' ' A' ' 39' ' ' TRP . 55.7 ttt180 -150.08 137.74 11.77 Favored Pre-proline 0 N--CA 1.44 -0.934 0 CA-C-N 114.866 -0.667 . . . . 15.0 110.577 -168.403 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.427 ' HA ' ' HA ' ' A' ' 21' ' ' HIS . 10.0 Cg_endo -89.51 125.73 1.47 Allowed 'Trans proline' 0 N--CA 1.454 -0.84 0 C-N-CA 122.479 2.12 . . . . 15.0 112.19 172.612 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.49 ' CE1' ' HB3' ' A' ' 20' ' ' ARG . 27.0 p90 -97.74 140.09 32.64 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.148 -0.686 . . . . 15.0 109.148 175.543 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -90.05 137.48 32.31 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.979 -0.555 . . . . 15.0 110.126 -174.5 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.68 HG13 ' HB2' ' A' ' 18' ' ' GLU . 3.6 pt -132.95 123.98 49.41 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.583 0 N-CA-C 116.758 2.133 . . . . 15.0 116.758 -171.006 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.08 130.96 36.18 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 114.098 -1.41 . . . . 15.0 109.54 172.641 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 45.1 m-70 -99.56 -1.9 37.1 Favored 'General case' 0 C--N 1.317 -0.812 0 C-N-CA 120.648 -0.421 . . . . 15.0 111.85 -178.347 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 37.0 m-80 -78.9 -42.5 27.01 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 120.729 0.3 . . . . 15.0 111.053 -176.101 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.7 t -127.44 11.78 6.89 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.658 0.266 . . . . 15.0 110.685 179.624 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.463 ' HD2' ' CE1' ' B' ' 117' ' ' TYR . 47.5 mmtm 54.13 72.58 0.44 Allowed 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 115.716 -0.675 . . . . 15.0 111.738 -177.781 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 15.9 p -135.2 147.53 49.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.936 -0.575 . . . . 15.0 110.493 175.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.1 t -136.52 150.09 48.47 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.722 0.296 . . . . 15.0 111.291 -174.348 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -143.65 149.97 38.06 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.356 -0.609 . . . . 15.0 109.356 177.656 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.595 ' HE3' ' HG2' ' A' ' 26' ' ' ARG . 83.8 m95 -97.4 -10.5 25.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.861 0.362 . . . . 15.0 111.132 -177.257 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 20.4 mp0 -78.34 -93.94 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.877 -0.601 . . . . 15.0 109.819 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.403 ' HA ' ' HD2' ' A' ' 42' ' ' PRO . 6.5 p-10 -177.02 122.82 0.28 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 115.714 -0.676 . . . . 15.0 109.244 173.054 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.441 ' HB2' ' HG2' ' A' ' 14' ' ' PRO . 12.1 Cg_endo . . . . . 0 C--O 1.22 -0.376 0 C-N-CA 123.692 2.928 . . . . 15.0 114.738 -177.146 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 114' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_endo . . . . . 0 C--O 1.234 0.32 0 CA-C-O 120.869 0.279 . . . . 15.0 111.963 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 115' ' ' PRO . . . . . 0.484 ' HD3' ' HZ2' ' A' ' 39' ' ' TRP . 91.1 Cg_endo -79.52 143.11 16.84 Favored 'Trans proline' 0 C--O 1.235 0.346 0 C-N-CA 122.684 2.256 . . . . 15.0 111.939 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 116' ' ' GLU . . . . . 0.457 ' CD ' ' H ' ' B' ' 116' ' ' GLU . 1.2 pm0 -66.38 120.04 12.64 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.285 -0.635 . . . . 15.0 109.285 176.344 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 117' ' ' TYR . . . . . 0.607 ' HD1' ' N ' ' B' ' 118' ' ' MET . 0.6 OUTLIER -84.49 119.89 25.68 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.295 0.569 . . . . 15.0 111.843 -170.917 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 118' ' ' MET . . . . . 0.607 ' N ' ' HD1' ' B' ' 117' ' ' TYR . 51.3 tpp -170.05 95.45 0.26 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 114.753 -1.112 . . . . 15.0 109.231 164.349 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -158.97 123.35 4.01 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.194 -0.912 . . . . 15.0 109.664 -177.557 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.93 0 CA-C-O 118.419 -0.8 . . . . 15.0 111.597 179.9 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.655 ' HB2' ' CD1' ' A' ' 17' ' ' TRP . 46.8 Cg_exo . . . . . 0 CA--C 1.529 0.229 0 N-CA-C 113.848 0.672 . . . . 15.0 113.848 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.634 ' HD3' ' H ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -61.58 121.43 12.73 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.829 -0.623 . . . . 15.0 110.672 176.668 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 116.97 -18.02 12.65 Favored Glycine 0 N--CA 1.447 -0.602 0 N-CA-C 111.084 -0.806 . . . . 15.0 111.084 -175.394 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.655 ' CD1' ' HB2' ' A' ' 14' ' ' PRO . 62.3 m95 -102.43 134.52 45.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.332 0.587 . . . . 15.0 110.602 179.62 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.448 ' HB2' HG13 ' A' ' 30' ' ' ILE . 53.8 mm-40 -102.23 149.62 24.12 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.076 -0.966 . . . . 15.0 109.615 174.357 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 8.9 p -104.72 127.25 59.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-O 121.417 0.627 . . . . 15.0 109.459 171.877 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 43.4 ttm180 -130.65 133.54 46.21 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 109.12 -0.696 . . . . 15.0 109.12 178.621 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 5.7 t-80 -89.83 116.19 27.73 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-O 120.904 0.383 . . . . 15.0 110.255 -176.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.427 ' C ' ' H ' ' A' ' 24' ' ' ASN . . . -91.81 160.51 35.99 Favored Pre-proline 0 C--N 1.322 -0.609 0 CA-C-N 115.837 -0.619 . . . . 15.0 110.532 -178.845 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_exo -62.2 2.77 0.56 Allowed 'Trans proline' 0 C--N 1.352 0.736 0 C-N-CA 123.042 2.495 . . . . 15.0 112.412 175.14 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.437 ' HB3' ' HB3' ' A' ' 26' ' ' ARG . 64.1 t30 -71.8 -5.05 31.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.558 -0.747 . . . . 15.0 110.406 175.153 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 69.27 28.93 72.17 Favored Glycine 0 N--CA 1.446 -0.69 0 N-CA-C 109.278 -1.529 . . . . 15.0 109.278 -170.068 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.515 ' HG2' ' HE3' ' A' ' 39' ' ' TRP . 36.7 ttt180 -149.39 139.37 13.27 Favored Pre-proline 0 N--CA 1.44 -0.93 0 CA-C-N 114.55 -0.825 . . . . 15.0 110.835 -169.273 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 26' ' ' ARG . 9.8 Cg_endo -89.52 126.15 1.51 Allowed 'Trans proline' 0 N--CA 1.453 -0.889 0 C-N-CA 122.485 2.123 . . . . 15.0 111.589 172.42 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 12.7 p90 -103.2 137.58 41.16 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.779 -0.452 . . . . 15.0 109.779 178.654 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -89.65 135.7 33.46 Favored 'General case' 0 CA--C 1.51 -0.584 0 CA-C-N 115.845 -0.616 . . . . 15.0 109.747 -175.668 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 1.059 ' HB ' ' HE2' ' B' ' 117' ' ' TYR . 19.2 pt -137.49 123.16 26.0 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.522 0 N-CA-C 115.346 1.61 . . . . 15.0 115.346 -172.816 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.604 ' HB2' ' CE2' ' A' ' 17' ' ' TRP . 8.8 t70 -90.05 126.11 35.65 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 115.087 -0.96 . . . . 15.0 110.84 178.237 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 67.9 m-70 -87.4 -14.49 40.47 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.36 -0.382 . . . . 15.0 111.197 -178.881 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 51.7 m-80 -72.49 -60.4 2.25 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.775 0.321 . . . . 15.0 111.185 -174.65 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 73.4 p -103.32 2.85 34.65 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.814 -0.63 . . . . 15.0 111.225 -174.497 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.401 ' HE2' ' SD ' ' B' ' 118' ' ' MET . 48.5 mmtm 60.49 76.42 0.37 Allowed 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 115.93 -0.577 . . . . 15.0 110.966 -179.062 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 14.4 t -149.95 150.39 31.78 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 116.118 -0.492 . . . . 15.0 110.684 -179.612 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.2 t -134.38 150.05 50.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.034 0.445 . . . . 15.0 111.376 -177.175 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.527 HG22 ' CZ3' ' A' ' 17' ' ' TRP . 4.4 t -145.95 142.95 29.19 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.862 -0.608 . . . . 15.0 110.547 177.686 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.515 ' HE3' ' HG2' ' A' ' 26' ' ' ARG . 85.7 m95 -86.88 -14.38 42.13 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.035 0.445 . . . . 15.0 110.1 177.899 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -104.84 138.44 41.09 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.569 -0.741 . . . . 15.0 109.716 178.838 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -52.93 115.46 7.41 Favored Pre-proline 0 N--CA 1.465 0.296 0 O-C-N 123.615 0.572 . . . . 15.0 112.033 -178.52 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.621 ' HG2' ' HG2' ' A' ' 14' ' ' PRO . 37.8 Cg_endo . . . . . 0 N--CA 1.461 -0.427 0 C-N-CA 121.605 1.537 . . . . 15.0 112.026 173.524 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 114' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo . . . . . 0 C--O 1.234 0.31 0 CA-C-O 120.95 0.313 . . . . 15.0 111.998 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 115' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -69.07 133.63 27.34 Favored 'Trans proline' 0 C--O 1.234 0.322 0 C-N-CA 122.777 2.318 . . . . 15.0 112.252 -179.34 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -56.72 122.37 11.96 Favored 'General case' 0 C--O 1.233 0.197 0 N-CA-C 109.26 -0.644 . . . . 15.0 109.26 173.879 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 117' ' ' TYR . . . . . 1.059 ' HE2' ' HB ' ' A' ' 30' ' ' ILE . 9.2 t80 -95.41 123.09 38.77 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 112.902 0.704 . . . . 15.0 112.902 -166.634 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 118' ' ' MET . . . . . 0.401 ' SD ' ' HE2' ' A' ' 35' ' ' LYS . 14.1 tpt -161.45 80.53 0.59 Allowed 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 114.835 -1.075 . . . . 15.0 108.214 162.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 40.8 mm-40 -119.01 124.77 47.79 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 114.082 -1.417 . . . . 15.0 111.235 -170.411 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.058 0 CA-C-N 115.408 -0.815 . . . . 15.0 108.893 174.08 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 25.3 Cg_exo . . . . . 0 N--CA 1.472 0.227 0 N-CA-C 113.609 0.581 . . . . 15.0 113.609 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.8 ptpp? -68.27 -13.07 61.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.274 -0.421 . . . . 15.0 111.05 -179.392 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -82.53 -20.84 61.18 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.94 -0.647 . . . . 15.0 112.155 178.089 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.567 ' HA ' ' O ' ' A' ' 30' ' ' ILE . 74.3 m95 -108.31 142.5 38.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.204 0.526 . . . . 15.0 110.344 -178.529 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -115.57 149.97 37.38 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 109.093 -0.706 . . . . 15.0 109.093 174.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.445 ' O ' HG13 ' A' ' 19' ' ' VAL . 7.5 p -103.17 91.61 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-O 121.768 0.794 . . . . 15.0 110.449 179.588 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.606 ' HD2' ' CZ ' ' A' ' 28' ' ' PHE . 11.6 ttm180 -95.24 123.6 38.84 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.858 -0.793 . . . . 15.0 108.858 179.254 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.455 ' HA ' ' HA ' ' A' ' 27' ' ' PRO . 18.6 t-80 -89.94 127.65 36.07 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.072 0.463 . . . . 15.0 110.838 -172.831 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.408 ' C ' ' H ' ' A' ' 24' ' ' ASN . . . -101.63 161.32 23.89 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 115.785 -0.643 . . . . 15.0 110.974 -178.038 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_exo -66.99 6.86 0.51 Allowed 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 123.147 2.565 . . . . 15.0 111.973 173.844 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.408 ' H ' ' C ' ' A' ' 22' ' ' ALA . 2.7 t-20 -74.66 0.54 14.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.756 -0.656 . . . . 15.0 110.112 175.402 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 65.17 26.37 71.51 Favored Glycine 0 N--CA 1.445 -0.723 0 N-CA-C 109.377 -1.489 . . . . 15.0 109.377 -170.731 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.558 ' HG2' ' CE3' ' A' ' 39' ' ' TRP . 15.8 ttp180 -145.51 138.89 14.36 Favored Pre-proline 0 N--CA 1.443 -0.81 0 CA-C-N 114.25 -0.975 . . . . 15.0 110.507 -171.732 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.455 ' HA ' ' HA ' ' A' ' 21' ' ' HIS . 4.9 Cg_endo -89.54 123.41 1.24 Allowed 'Trans proline' 0 N--CA 1.452 -0.967 0 C-N-CA 122.442 2.095 . . . . 15.0 111.452 169.679 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.606 ' CZ ' ' HD2' ' A' ' 20' ' ' ARG . 14.9 p90 -94.58 140.19 30.18 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 120.127 -0.629 . . . . 15.0 109.473 176.54 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.401 ' HB2' ' OG1' ' A' ' 38' ' ' THR . 78.9 m-85 -90.6 132.53 35.68 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.035 -0.53 . . . . 15.0 109.938 -177.223 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.882 ' HB ' ' HE2' ' B' ' 117' ' ' TYR . 15.2 pt -133.57 126.4 51.59 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 N-CA-C 114.644 1.35 . . . . 15.0 114.644 -175.765 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.489 ' HB2' ' CE2' ' A' ' 17' ' ' TRP . 17.0 t70 -90.28 128.47 36.43 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-N 115.205 -0.907 . . . . 15.0 110.155 178.254 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 80.4 m-70 -88.25 -12.09 44.67 Favored 'General case' 0 N--CA 1.462 0.16 0 O-C-N 124.032 0.832 . . . . 15.0 111.464 -176.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 34.1 m-80 -78.82 -33.92 45.69 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.675 0.75 . . . . 15.0 109.602 -176.125 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 41.0 m -149.76 110.78 4.35 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 114.762 -1.108 . . . . 15.0 108.236 172.48 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.574 ' HB3' ' HB3' ' B' ' 117' ' ' TYR . 61.3 mttp -34.91 98.98 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.265 0 O-C-N 124.304 1.003 . . . . 15.0 113.009 -174.582 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.407 ' O ' ' HA ' ' A' ' 30' ' ' ILE . 38.1 m -138.59 137.51 37.04 Favored 'General case' 0 CA--C 1.531 0.245 0 N-CA-C 112.103 0.409 . . . . 15.0 112.103 178.504 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.507 HG22 HG22 ' A' ' 30' ' ' ILE . 10.8 p -119.9 127.25 52.52 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.893 -0.594 . . . . 15.0 110.826 176.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.401 ' OG1' ' HB2' ' A' ' 29' ' ' PHE . 71.7 p -128.59 144.34 51.13 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 121.133 -0.227 . . . . 15.0 110.497 175.364 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.558 ' CE3' ' HG2' ' A' ' 26' ' ' ARG . 94.7 m95 -93.73 -11.28 31.79 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 108.719 -0.845 . . . . 15.0 108.719 173.489 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -108.3 138.64 44.25 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.635 -1.166 . . . . 15.0 109.603 177.227 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -63.2 123.18 79.55 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-N 116.255 -0.429 . . . . 15.0 111.446 -175.801 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo . . . . . 0 C--N 1.344 0.303 0 C-N-CA 123.404 2.736 . . . . 15.0 114.536 -175.975 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 114' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo . . . . . 0 C--O 1.234 0.308 0 CA-C-O 120.568 0.153 . . . . 15.0 111.808 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 115' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -66.35 139.78 55.82 Favored 'Trans proline' 0 N--CA 1.465 -0.189 0 C-N-CA 122.662 2.242 . . . . 15.0 111.774 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 116' ' ' GLU . . . . . 0.47 ' CD ' ' H ' ' B' ' 116' ' ' GLU . 0.8 OUTLIER -67.21 120.03 13.09 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.955 0.407 . . . . 15.0 110.023 178.19 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 117' ' ' TYR . . . . . 0.882 ' HE2' ' HB ' ' A' ' 30' ' ' ILE . 0.9 OUTLIER -74.31 119.68 18.84 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.424 -0.353 . . . . 15.0 110.116 -177.36 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 118' ' ' MET . . . . . . . . . . . . . 86.4 mmm -156.13 104.71 2.28 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.445 -0.798 . . . . 15.0 109.364 173.435 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -122.49 -14.2 7.85 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 109.112 -0.699 . . . . 15.0 109.112 173.593 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.244 0.807 0 CA-C-N 114.946 -1.024 . . . . 15.0 109.323 -178.981 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 1.07 ' HG2' ' HG2' ' A' ' 42' ' ' PRO . 12.0 Cg_exo . . . . . 0 CA--C 1.545 1.027 0 N-CA-C 114.216 0.814 . . . . 15.0 114.216 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.9 tmtm? -144.06 118.05 9.42 Favored 'General case' 0 C--N 1.329 -0.313 0 O-C-N 121.76 -0.588 . . . . 15.0 109.549 176.696 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 100.32 1.23 55.71 Favored Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 120.798 -0.715 . . . . 15.0 111.836 179.256 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.536 ' HA ' ' O ' ' A' ' 30' ' ' ILE . 89.1 m95 -104.83 125.56 51.0 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.369 0.604 . . . . 15.0 110.907 -179.486 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.548 ' HB2' HG13 ' A' ' 30' ' ' ILE . 32.9 mm-40 -97.39 149.95 21.56 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 115.008 -0.996 . . . . 15.0 109.342 175.119 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 7.3 p -99.09 108.44 22.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-O 121.607 0.717 . . . . 15.0 110.351 177.662 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.59 ' HD2' ' CZ ' ' A' ' 28' ' ' PHE . 37.2 ttm-85 -109.69 126.9 54.18 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.926 -0.579 . . . . 15.0 109.688 179.079 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -93.83 124.09 37.6 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.321 -0.4 . . . . 15.0 110.519 -176.659 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.507 ' HB1' ' HD2' ' A' ' 23' ' ' PRO . . . -83.25 179.31 1.98 Allowed Pre-proline 0 C--N 1.325 -0.458 0 CA-C-N 115.979 -0.555 . . . . 15.0 110.288 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.507 ' HD2' ' HB1' ' A' ' 22' ' ' ALA . 31.9 Cg_exo -61.1 -14.08 31.46 Favored 'Trans proline' 0 C--N 1.353 0.812 0 C-N-CA 121.967 1.778 . . . . 15.0 111.092 167.598 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 43.3 t-20 -77.69 137.93 38.78 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 114.941 -1.027 . . . . 15.0 108.348 170.341 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.38 -15.09 14.79 Favored Glycine 0 C--N 1.335 0.483 0 N-CA-C 110.964 -0.854 . . . . 15.0 110.964 173.148 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.536 ' HG2' ' CE3' ' A' ' 39' ' ' TRP . 9.7 tpt180 -72.65 129.9 86.33 Favored Pre-proline 0 N--CA 1.44 -0.927 0 CA-C-N 114.314 -0.943 . . . . 15.0 111.449 173.058 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 26' ' ' ARG . 2.2 Cg_endo -89.59 135.92 2.6 Favored 'Trans proline' 0 N--CA 1.461 -0.383 0 C-N-CA 122.844 2.362 . . . . 15.0 111.356 168.033 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.59 ' CZ ' ' HD2' ' A' ' 20' ' ' ARG . 52.3 p90 -110.6 150.07 29.49 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 120.658 -0.417 . . . . 15.0 110.081 178.025 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 74.5 m-85 -97.84 141.3 31.0 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.831 -0.622 . . . . 15.0 110.99 -172.376 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.733 ' HB ' ' CE2' ' B' ' 117' ' ' TYR . 10.7 pt -134.05 126.35 49.88 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.319 0 N-CA-C 114.579 1.325 . . . . 15.0 114.579 -177.169 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -94.59 130.01 41.21 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 114.695 -1.139 . . . . 15.0 111.318 179.531 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 43.4 m-70 -96.61 3.92 52.26 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.722 -0.672 . . . . 15.0 111.867 -177.507 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 48.5 m-80 -86.46 -40.71 15.06 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.768 -0.373 . . . . 15.0 111.148 -177.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.8 t -138.18 21.76 2.79 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 116.725 -0.216 . . . . 15.0 111.55 -176.245 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 58.5 mttp 49.93 70.75 0.46 Allowed 'General case' 0 C--O 1.233 0.22 0 CA-C-O 121.302 0.572 . . . . 15.0 112.146 -178.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 21.6 p -132.31 150.06 52.23 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.626 -0.715 . . . . 15.0 110.323 178.552 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.1 t -137.61 149.95 47.04 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.999 0.428 . . . . 15.0 110.858 -177.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 7.7 t -150.06 146.31 26.88 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.95 -0.568 . . . . 15.0 109.876 179.416 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.536 ' CE3' ' HG2' ' A' ' 26' ' ' ARG . 92.4 m95 -88.0 -36.3 17.11 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 109.957 -0.386 . . . . 15.0 109.957 178.714 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -82.57 131.34 35.21 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.709 -0.848 . . . . 15.0 108.709 173.523 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.418 ' HA ' ' HD2' ' A' ' 42' ' ' PRO . 11.4 t0 -52.61 122.93 28.61 Favored Pre-proline 0 C--N 1.33 -0.275 0 O-C-N 123.542 0.526 . . . . 15.0 110.621 -176.85 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 1.07 ' HG2' ' HG2' ' A' ' 14' ' ' PRO . 15.0 Cg_endo . . . . . 0 CA--C 1.528 0.211 0 C-N-CA 123.692 2.928 . . . . 15.0 114.2 -177.505 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 114' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_exo . . . . . 0 C--O 1.234 0.289 0 CA-C-O 120.843 0.268 . . . . 15.0 112.121 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 115' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -79.11 143.6 17.96 Favored 'Trans proline' 0 N--CA 1.463 -0.307 0 C-N-CA 122.849 2.366 . . . . 15.0 112.236 179.573 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 116' ' ' GLU . . . . . 0.462 ' CD ' ' H ' ' B' ' 116' ' ' GLU . 1.0 OUTLIER -70.1 133.79 47.52 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 108.93 -0.767 . . . . 15.0 108.93 176.29 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 117' ' ' TYR . . . . . 0.733 ' CE2' ' HB ' ' A' ' 30' ' ' ILE . 0.8 OUTLIER -100.05 123.43 44.28 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 121.046 0.45 . . . . 15.0 111.402 -175.461 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 118' ' ' MET . . . . . . . . . . . . . 13.1 tpt -170.99 99.64 0.21 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.293 -0.867 . . . . 15.0 109.654 169.463 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -113.22 -54.94 2.58 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.191 -0.67 . . . . 15.0 109.191 175.06 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.066 0 CA-C-N 115.134 -0.939 . . . . 15.0 109.085 175.569 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_exo . . . . . 0 N--CA 1.463 -0.299 0 CA-C-O 120.672 0.197 . . . . 15.0 112.131 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -69.45 -3.8 15.95 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.448 -0.342 . . . . 15.0 111.852 -173.437 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -92.39 -16.49 49.56 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 121.145 -0.55 . . . . 15.0 112.208 176.04 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.528 ' HA ' ' O ' ' A' ' 30' ' ' ILE . 64.2 m95 -100.27 135.16 42.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.144 0.497 . . . . 15.0 110.26 179.26 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.477 ' O ' HG12 ' A' ' 30' ' ' ILE . 18.5 mm-40 -100.62 130.77 46.72 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 116.086 -0.506 . . . . 15.0 110.023 175.611 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.458 ' O ' HG13 ' A' ' 19' ' ' VAL . 8.3 p -89.73 96.69 6.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-O 121.656 0.741 . . . . 15.0 109.751 175.002 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.569 ' HB3' ' CE1' ' A' ' 28' ' ' PHE . 4.4 tpp180 -99.53 126.61 45.52 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.867 -0.606 . . . . 15.0 109.824 -177.296 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 8.8 t-80 -89.94 110.94 21.87 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.199 0.523 . . . . 15.0 110.381 -173.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -89.51 161.29 39.94 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 115.508 -0.769 . . . . 15.0 111.033 -176.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_exo -67.48 12.53 0.19 Allowed 'Trans proline' 0 C--N 1.352 0.725 0 C-N-CA 123.457 2.771 . . . . 15.0 113.136 178.469 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.547 ' HB3' ' HB3' ' A' ' 26' ' ' ARG . 3.0 t-20 -85.37 0.38 52.31 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-O 121.197 0.522 . . . . 15.0 110.165 176.684 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 66.83 21.28 71.17 Favored Glycine 0 N--CA 1.446 -0.645 0 N-CA-C 109.259 -1.537 . . . . 15.0 109.259 -166.847 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.81 ' HG2' ' HE3' ' A' ' 39' ' ' TRP . 44.1 ttp180 -142.15 129.18 11.24 Favored Pre-proline 0 N--CA 1.442 -0.853 0 CA-C-N 113.934 -1.133 . . . . 15.0 109.219 -171.844 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 26' ' ' ARG . 18.0 Cg_endo -89.44 130.23 1.94 Allowed 'Trans proline' 0 N--CA 1.455 -0.771 0 C-N-CA 122.296 1.998 . . . . 15.0 112.286 176.845 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.569 ' CE1' ' HB3' ' A' ' 20' ' ' ARG . 9.8 p90 -93.49 136.58 33.63 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-O 121.546 0.689 . . . . 15.0 109.867 176.592 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 67.4 m-85 -89.96 130.7 36.13 Favored 'General case' 0 C--N 1.317 -0.804 0 CA-C-N 115.108 -0.951 . . . . 15.0 108.855 -178.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.974 ' HB ' ' HE2' ' B' ' 117' ' ' TYR . 19.5 pt -133.37 127.93 54.54 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.648 0 N-CA-C 115.296 1.591 . . . . 15.0 115.296 -173.147 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.487 ' HB2' ' CE2' ' A' ' 17' ' ' TRP . 9.8 t70 -93.77 132.87 37.73 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 114.252 -1.34 . . . . 15.0 110.154 176.025 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 50.7 m-70 -91.37 -10.22 41.99 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.246 -0.434 . . . . 15.0 111.572 -175.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 37.4 m-80 -81.81 -48.04 12.09 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.889 0.376 . . . . 15.0 111.052 -172.834 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.465 HG22 ' OD2' ' A' ' 31' ' ' ASP . 15.4 t -115.46 10.08 15.65 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.12 -0.491 . . . . 15.0 111.919 -173.517 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.828 ' HG3' ' HD1' ' B' ' 117' ' ' TYR . 9.9 mptt 53.69 83.5 0.07 Allowed 'General case' 0 CA--C 1.53 0.18 0 CA-C-O 121.193 0.52 . . . . 15.0 111.83 -177.699 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 89.7 m -145.64 132.74 20.38 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.231 -0.44 . . . . 15.0 111.434 179.571 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.724 HG21 ' HD2' ' B' ' 115' ' ' PRO . 18.0 m -114.95 130.07 56.85 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.589 -0.732 . . . . 15.0 109.825 176.476 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.682 ' OG1' ' HG2' ' A' ' 40' ' ' GLU . 14.8 t -142.05 150.08 40.78 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.626 -0.429 . . . . 15.0 111.677 -179.447 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.81 ' HE3' ' HG2' ' A' ' 26' ' ' ARG . 17.4 m95 -113.86 -6.08 13.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.24 -0.436 . . . . 15.0 110.132 179.48 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.682 ' HG2' ' OG1' ' A' ' 38' ' ' THR . 11.8 pt-20 -82.38 -7.4 59.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 15.0 111.51 -173.594 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.5 t70 66.2 105.2 0.03 OUTLIER Pre-proline 0 N--CA 1.469 0.478 0 O-C-N 123.983 0.802 . . . . 15.0 110.707 -179.21 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo . . . . . 0 C--N 1.341 0.177 0 C-N-CA 122.149 1.9 . . . . 15.0 113.023 -177.574 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 114' ' ' PRO . . . . . 0.487 ' HA ' ' HD3' ' B' ' 115' ' ' PRO . 8.1 Cg_endo . . . . . 0 C--O 1.231 0.165 0 CA-C-O 121.181 0.409 . . . . 15.0 112.961 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 115' ' ' PRO . . . . . 0.724 ' HD2' HG21 ' A' ' 37' ' ' THR . 4.0 Cg_exo -77.21 135.64 15.37 Favored 'Trans proline' 0 N--CA 1.459 -0.546 0 C-N-CA 123.415 2.743 . . . . 15.0 111.348 178.177 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 116' ' ' GLU . . . . . 0.446 ' CD ' ' H ' ' B' ' 116' ' ' GLU . 0.8 OUTLIER -57.98 120.23 8.17 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.324 -0.621 . . . . 15.0 109.324 177.132 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 117' ' ' TYR . . . . . 0.974 ' HE2' ' HB ' ' A' ' 30' ' ' ILE . 49.9 t80 -84.97 124.99 32.31 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 112.987 0.736 . . . . 15.0 112.987 -168.022 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 118' ' ' MET . . . . . . . . . . . . . 52.1 tpp -164.2 99.71 0.84 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 114.822 -1.081 . . . . 15.0 108.357 164.829 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 119' ' ' GLU . . . . . 0.443 ' O ' ' HG3' ' B' ' 119' ' ' GLU . 4.5 tp10 -130.08 20.09 5.4 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.491 -0.777 . . . . 15.0 109.372 -173.14 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.982 0 CA-C-N 115.327 -0.851 . . . . 15.0 110.254 -173.519 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 1.118 ' HG2' ' HB2' ' A' ' 42' ' ' PRO . 67.8 Cg_exo . . . . . 0 N--CA 1.475 0.433 0 N-CA-C 114.247 0.826 . . . . 15.0 114.247 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 36.1 ttmt -60.59 116.23 4.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.207 -0.906 . . . . 15.0 110.203 174.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 118.41 -19.37 10.73 Favored Glycine 0 N--CA 1.448 -0.511 0 N-CA-C 111.311 -0.716 . . . . 15.0 111.311 -177.563 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.549 ' CZ3' HG22 ' A' ' 38' ' ' THR . 68.8 m95 -100.87 127.54 47.29 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.227 0.537 . . . . 15.0 110.127 177.46 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.55 ' HB2' HG13 ' A' ' 30' ' ' ILE . 71.0 mm-40 -96.82 149.94 21.29 Favored 'General case' 0 C--N 1.311 -1.092 0 CA-C-N 115.42 -0.809 . . . . 15.0 109.584 176.773 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 13.9 p -101.38 114.16 39.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-O 121.591 0.71 . . . . 15.0 110.371 177.41 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.665 ' HD2' ' HZ ' ' A' ' 28' ' ' PHE . 12.9 ttm180 -118.6 141.48 48.55 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 108.623 -0.881 . . . . 15.0 108.623 178.195 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 6.7 t-80 -108.42 123.78 49.39 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 120.524 -0.47 . . . . 15.0 111.166 -174.613 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.474 ' HB1' ' HD2' ' A' ' 23' ' ' PRO . . . -86.76 177.11 2.99 Favored Pre-proline 0 C--N 1.323 -0.561 0 CA-C-N 115.612 -0.722 . . . . 15.0 109.818 176.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.474 ' HD2' ' HB1' ' A' ' 22' ' ' ALA . 32.3 Cg_exo -60.79 -18.91 58.98 Favored 'Trans proline' 0 C--N 1.354 0.856 0 C-N-CA 122.387 2.058 . . . . 15.0 111.613 169.594 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.526 ' ND2' ' HB3' ' A' ' 26' ' ' ARG . 65.4 t30 -62.55 137.33 58.24 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.255 -0.884 . . . . 15.0 109.152 170.178 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.13 55.27 0.82 Allowed Glycine 0 C--N 1.331 0.283 0 N-CA-C 110.984 -0.846 . . . . 15.0 110.984 174.158 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.526 ' HB3' ' ND2' ' A' ' 24' ' ' ASN . 31.0 tpt180 -163.82 132.96 2.94 Favored Pre-proline 0 N--CA 1.44 -0.948 0 CA-C-N 114.493 -0.854 . . . . 15.0 109.177 -170.048 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.481 ' HD2' ' HD2' ' A' ' 26' ' ' ARG . 1.7 Cg_endo -89.48 127.1 1.63 Allowed 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 122.251 1.967 . . . . 15.0 111.672 171.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.665 ' HZ ' ' HD2' ' A' ' 20' ' ' ARG . 38.1 p90 -93.98 138.59 31.91 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.112 0.482 . . . . 15.0 109.748 178.369 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.478 ' HE2' ' NH2' ' A' ' 26' ' ' ARG . 82.3 m-85 -90.23 140.4 29.71 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.702 -0.681 . . . . 15.0 110.186 -174.037 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.55 HG13 ' HB2' ' A' ' 18' ' ' GLU . 17.9 pt -135.67 123.5 36.74 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.768 0 N-CA-C 114.651 1.352 . . . . 15.0 114.651 -175.685 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.548 ' HB2' ' CE2' ' A' ' 17' ' ' TRP . 15.7 t70 -89.92 122.91 33.39 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.472 -0.785 . . . . 15.0 110.234 178.551 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 -90.47 -1.0 57.88 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.993 -0.549 . . . . 15.0 111.62 -176.325 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 45.9 m-80 -83.31 -50.07 8.74 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.831 0.348 . . . . 15.0 111.078 -176.377 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 14.8 t -118.96 5.91 11.37 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.988 0.423 . . . . 15.0 110.599 -179.226 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.411 ' HE3' ' O ' ' B' ' 119' ' ' GLU . 60.5 mmtt 58.6 83.14 0.13 Allowed 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 115.333 -0.848 . . . . 15.0 111.59 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 10.1 t -150.07 150.07 31.2 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.947 -0.57 . . . . 15.0 109.724 176.038 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.9 t -129.69 149.99 51.2 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.823 0.344 . . . . 15.0 110.886 -175.495 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.549 HG22 ' CZ3' ' A' ' 17' ' ' TRP . 7.2 t -144.46 145.72 32.04 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.241 -0.436 . . . . 15.0 111.054 -179.133 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.416 ' CE3' ' CG ' ' A' ' 26' ' ' ARG . 96.5 m95 -94.06 -4.12 50.01 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 109.306 -0.627 . . . . 15.0 109.306 173.383 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -101.8 119.84 39.42 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.902 -0.59 . . . . 15.0 109.545 175.26 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -49.9 114.3 4.13 Favored Pre-proline 0 C--N 1.329 -0.322 0 O-C-N 123.834 0.709 . . . . 15.0 111.365 -177.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 1.118 ' HB2' ' HG2' ' A' ' 14' ' ' PRO . 23.2 Cg_exo . . . . . 0 CA--C 1.537 0.652 0 C-N-CA 122.114 1.876 . . . . 15.0 113.906 -178.882 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 114' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo . . . . . 0 C--O 1.234 0.325 0 CA-C-O 120.731 0.221 . . . . 15.0 111.627 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 115' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.17 143.64 54.38 Favored 'Trans proline' 0 C--O 1.233 0.249 0 C-N-CA 122.88 2.387 . . . . 15.0 111.79 177.383 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 116' ' ' GLU . . . . . 0.489 ' CD ' ' H ' ' B' ' 116' ' ' GLU . 0.6 OUTLIER -58.5 125.4 23.19 Favored 'General case' 0 C--O 1.234 0.249 0 N-CA-C 109.195 -0.668 . . . . 15.0 109.195 177.708 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 117' ' ' TYR . . . . . 0.571 ' HD1' ' N ' ' B' ' 118' ' ' MET . 0.3 OUTLIER -108.96 123.67 49.47 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 112.282 0.475 . . . . 15.0 112.282 -168.215 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 118' ' ' MET . . . . . 0.571 ' N ' ' HD1' ' B' ' 117' ' ' TYR . 19.0 ptm -179.52 105.96 0.03 OUTLIER 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.283 -0.871 . . . . 15.0 110.253 167.809 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 119' ' ' GLU . . . . . 0.528 ' HG2' ' N ' ' B' ' 120' ' ' ALA . 0.0 OUTLIER -139.83 -170.11 2.87 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.991 -0.284 . . . . 15.0 110.521 175.522 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 120' ' ' ALA . . . . . 0.528 ' N ' ' HG2' ' B' ' 119' ' ' GLU . . . . . . . . 0 C--O 1.251 1.144 0 CA-C-O 118.682 -0.675 . . . . 15.0 110.272 177.631 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo . . . . . 0 CA--C 1.532 0.377 0 N-CA-C 113.104 0.386 . . . . 15.0 113.104 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.2 ptpm? -72.48 1.96 7.12 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.285 0.476 . . . . 15.0 112.285 -174.28 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -105.49 -8.03 36.01 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.67 -0.776 . . . . 15.0 112.38 178.421 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.69 ' CE2' ' HB2' ' A' ' 31' ' ' ASP . 74.1 m95 -110.82 124.88 52.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.451 0.643 . . . . 15.0 111.407 -176.412 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.694 ' HB2' HG13 ' A' ' 30' ' ' ILE . 33.9 mm-40 -91.76 144.73 25.21 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 114.981 -1.009 . . . . 15.0 109.491 175.38 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 21.3 t -104.88 104.6 17.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 120.95 0.405 . . . . 15.0 109.958 176.336 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.4 ttp85 -114.38 126.77 55.36 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.171 -0.468 . . . . 15.0 110.228 -178.425 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.628 ' HA ' ' HA ' ' A' ' 27' ' ' PRO . 29.0 t-80 -89.88 122.15 32.66 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.985 0.422 . . . . 15.0 110.805 -173.432 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.445 ' C ' ' H ' ' A' ' 24' ' ' ASN . . . -94.15 159.97 33.08 Favored Pre-proline 0 C--N 1.322 -0.606 0 CA-C-N 115.875 -0.602 . . . . 15.0 110.423 179.304 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_exo -67.72 12.0 0.22 Allowed 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 123.14 2.56 . . . . 15.0 112.419 176.135 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.445 ' H ' ' C ' ' A' ' 22' ' ' ALA . 4.9 m-20 -84.0 6.57 21.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.025 -0.534 . . . . 15.0 110.371 177.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 64.73 28.82 73.84 Favored Glycine 0 N--CA 1.447 -0.598 0 N-CA-C 109.424 -1.471 . . . . 15.0 109.424 -168.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.588 ' HG2' ' CE3' ' A' ' 39' ' ' TRP . 8.2 tpt180 -147.73 130.61 7.94 Favored Pre-proline 0 N--CA 1.445 -0.701 0 CA-C-N 114.515 -0.843 . . . . 15.0 111.063 -167.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.628 ' HA ' ' HA ' ' A' ' 21' ' ' HIS . 18.7 Cg_endo -89.87 128.7 1.66 Allowed 'Trans proline' 0 N--CA 1.451 -0.974 0 C-N-CA 122.829 2.353 . . . . 15.0 111.228 169.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.47 ' HD1' HG23 ' A' ' 30' ' ' ILE . 20.7 p90 -101.21 138.81 37.75 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.69 -0.485 . . . . 15.0 109.69 176.741 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.418 ' HB2' HG23 ' A' ' 38' ' ' THR . 97.8 m-85 -90.31 136.53 33.0 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.989 -0.551 . . . . 15.0 109.647 179.84 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.694 HG13 ' HB2' ' A' ' 18' ' ' GLU . 6.0 pt -135.32 123.02 37.53 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.564 0 N-CA-C 114.794 1.405 . . . . 15.0 114.794 -174.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.69 ' HB2' ' CE2' ' A' ' 17' ' ' TRP . 9.6 t70 -89.98 122.95 33.47 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-N 114.919 -1.037 . . . . 15.0 110.61 179.477 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 33.2 m80 -93.02 7.59 43.46 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.119 -0.491 . . . . 15.0 111.693 -178.077 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 45.2 m-80 -90.17 -37.82 13.91 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.925 0.393 . . . . 15.0 110.697 178.65 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -126.52 6.03 6.88 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.391 -0.368 . . . . 15.0 111.763 -176.592 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 62.3 mttp 50.07 68.96 0.67 Allowed 'General case' 0 CA--C 1.532 0.288 0 CA-C-O 121.812 0.815 . . . . 15.0 111.216 -173.54 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 26.5 m -137.42 142.92 41.65 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.083 -0.962 . . . . 15.0 109.348 179.347 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.0 t -124.65 149.98 46.55 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.825 0.345 . . . . 15.0 111.604 -175.895 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.679 HG22 ' CZ3' ' A' ' 17' ' ' TRP . 5.8 t -140.19 142.19 35.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.946 -0.57 . . . . 15.0 109.949 176.423 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.588 ' CE3' ' HG2' ' A' ' 26' ' ' ARG . 83.8 m95 -89.43 -4.62 57.92 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 120.95 0.405 . . . . 15.0 110.16 179.566 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -123.37 135.45 54.16 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.785 -0.643 . . . . 15.0 110.034 178.403 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.452 ' HA ' ' HD2' ' A' ' 42' ' ' PRO . 10.1 t70 -49.25 121.21 10.88 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-N 115.093 -0.958 . . . . 15.0 113.03 -170.044 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.452 ' HD2' ' HA ' ' A' ' 41' ' ' ASP . 26.4 Cg_endo . . . . . 0 C--N 1.349 0.586 0 C-N-CA 123.941 3.094 . . . . 15.0 115.488 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 114' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo . . . . . 0 C--O 1.232 0.222 0 CA-C-O 120.894 0.289 . . . . 15.0 112.465 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 115' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -73.97 128.61 12.48 Favored 'Trans proline' 0 N--CA 1.458 -0.559 0 C-N-CA 122.372 2.048 . . . . 15.0 110.686 176.649 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -60.67 119.98 9.16 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.435 0.636 . . . . 15.0 109.597 179.13 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 117' ' ' TYR . . . . . 0.526 ' CE2' ' HB ' ' A' ' 30' ' ' ILE . 0.3 OUTLIER -83.95 120.19 25.8 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.437 -0.801 . . . . 15.0 111.935 -168.468 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 118' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -168.42 105.07 0.45 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.195 -0.911 . . . . 15.0 108.828 167.379 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 119' ' ' GLU . . . . . 0.454 ' HG2' ' CE1' ' B' ' 117' ' ' TYR . 5.6 pt-20 -149.99 116.04 5.67 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 115.026 -0.988 . . . . 15.0 109.229 178.246 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.244 0.798 0 CA-C-O 118.355 -0.831 . . . . 15.0 110.396 -174.406 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.804 ' HG2' ' HG2' ' A' ' 42' ' ' PRO . 89.6 Cg_exo . . . . . 0 CA--C 1.517 -0.326 0 CA-C-O 119.499 -0.292 . . . . 15.0 112.576 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 60.9 mtpt 38.79 -90.79 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.517 0 O-C-N 124.474 1.109 . . . . 15.0 113.4 170.137 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -136.77 57.16 0.68 Allowed Glycine 0 N--CA 1.444 -0.791 0 C-N-CA 120.753 -0.737 . . . . 15.0 113.136 -177.022 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.568 ' CD1' ' HB2' ' A' ' 14' ' ' PRO . 74.7 m95 -108.82 127.18 53.8 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.5 0.666 . . . . 15.0 111.142 178.047 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.547 ' HB2' HG13 ' A' ' 30' ' ' ILE . 6.5 mm-40 -96.07 147.62 23.53 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 114.702 -1.135 . . . . 15.0 109.575 175.053 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 23.6 t -98.71 99.1 8.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 N-CA-C 109.757 -0.46 . . . . 15.0 109.757 178.141 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.9 tpp180 -104.53 125.38 50.64 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.411 -0.588 . . . . 15.0 109.411 -178.005 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.649 ' HA ' ' HA ' ' A' ' 27' ' ' PRO . 27.1 t-80 -89.77 126.61 35.74 Favored 'General case' 0 C--N 1.322 -0.595 0 O-C-N 122.017 -0.427 . . . . 15.0 111.112 -175.872 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.418 ' C ' ' H ' ' A' ' 24' ' ' ASN . . . -101.31 162.31 20.91 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-N 116.19 -0.459 . . . . 15.0 110.141 177.668 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_exo -65.23 6.27 0.41 Allowed 'Trans proline' 0 C--N 1.35 0.65 0 C-N-CA 123.244 2.629 . . . . 15.0 112.722 176.5 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.418 ' H ' ' C ' ' A' ' 22' ' ' ALA . 2.4 t-20 -77.36 5.54 8.5 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.596 -0.729 . . . . 15.0 110.435 178.27 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 64.31 22.45 67.36 Favored Glycine 0 CA--C 1.505 -0.555 0 N-CA-C 109.56 -1.416 . . . . 15.0 109.56 -171.094 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.487 ' HG2' ' HE3' ' A' ' 39' ' ' TRP . 28.8 ttp180 -145.17 135.69 12.08 Favored Pre-proline 0 N--CA 1.44 -0.929 0 CA-C-N 114.292 -0.954 . . . . 15.0 110.182 -170.812 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.649 ' HA ' ' HA ' ' A' ' 21' ' ' HIS . 12.2 Cg_endo -89.52 120.24 0.96 Allowed 'Trans proline' 0 N--CA 1.447 -1.207 0 C-N-CA 122.341 2.028 . . . . 15.0 111.635 170.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 27.7 p90 -90.07 139.47 30.59 Favored 'General case' 0 N--CA 1.446 -0.657 0 N-CA-C 108.878 -0.786 . . . . 15.0 108.878 177.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.494 ' HB2' ' OG1' ' A' ' 38' ' ' THR . 97.6 m-85 -89.99 138.74 31.25 Favored 'General case' 0 CA--C 1.502 -0.877 0 CA-C-N 116.265 -0.425 . . . . 15.0 110.748 -175.501 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.704 ' HB ' ' CE2' ' B' ' 117' ' ' TYR . 13.6 pt -133.49 124.22 47.94 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.913 0 N-CA-C 114.687 1.366 . . . . 15.0 114.687 -173.521 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.568 ' HB2' ' CE2' ' A' ' 17' ' ' TRP . 19.9 t70 -89.89 120.95 31.56 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 114.515 -1.221 . . . . 15.0 109.303 176.26 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 21.0 m-70 -83.4 -5.0 59.01 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.369 -0.378 . . . . 15.0 111.698 -175.778 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 39.6 m-80 -82.01 -57.61 3.33 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.095 0.474 . . . . 15.0 110.648 -178.074 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.0 m -105.43 1.01 27.35 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.996 -0.547 . . . . 15.0 110.958 -175.093 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 54.53 88.59 0.04 OUTLIER 'General case' 0 CA--C 1.535 0.392 0 CA-C-O 121.207 0.527 . . . . 15.0 111.075 -172.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 16.2 m -143.53 140.7 30.4 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 116.261 -0.427 . . . . 15.0 110.896 178.739 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.548 HG22 HG22 ' A' ' 30' ' ' ILE . 13.6 p -112.23 128.33 56.22 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 120.888 0.375 . . . . 15.0 111.731 -178.883 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.494 ' OG1' ' HB2' ' A' ' 29' ' ' PHE . 76.6 p -126.44 121.52 32.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.796 0.332 . . . . 15.0 111.791 177.817 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.487 ' HE3' ' HG2' ' A' ' 26' ' ' ARG . 98.6 m95 -72.7 -14.9 61.67 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.172 0.511 . . . . 15.0 109.944 175.434 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -103.34 147.07 27.54 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.54 -0.755 . . . . 15.0 109.71 174.895 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -65.23 121.55 75.1 Favored Pre-proline 0 C--N 1.326 -0.452 0 CA-C-N 116.229 -0.441 . . . . 15.0 110.408 -178.827 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.804 ' HG2' ' HG2' ' A' ' 14' ' ' PRO . 18.9 Cg_endo . . . . . 0 C--N 1.346 0.432 0 C-N-CA 123.488 2.792 . . . . 15.0 113.844 -178.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 114' ' ' PRO . . . . . 0.452 ' HA ' ' HD3' ' B' ' 115' ' ' PRO . 73.7 Cg_exo . . . . . 0 C--O 1.235 0.332 0 CA-C-O 120.781 0.242 . . . . 15.0 111.54 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 115' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' B' ' 114' ' ' PRO . 27.9 Cg_exo -62.03 135.13 53.28 Favored 'Trans proline' 0 N--CA 1.461 -0.42 0 C-N-CA 122.68 2.253 . . . . 15.0 112.507 -177.397 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 116' ' ' GLU . . . . . 0.509 ' H ' ' HG2' ' B' ' 116' ' ' GLU . 4.6 pt-20 -65.25 119.96 11.87 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.367 -0.833 . . . . 15.0 109.907 176.32 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 117' ' ' TYR . . . . . 0.818 ' HE1' ' HB2' ' B' ' 119' ' ' GLU . 0.5 OUTLIER -102.08 124.52 47.83 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.874 -0.603 . . . . 15.0 111.607 -169.211 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 118' ' ' MET . . . . . 0.61 ' N ' ' HD1' ' B' ' 117' ' ' TYR . 22.3 ptt? -153.62 98.85 2.26 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.608 0.718 . . . . 15.0 110.054 165.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 119' ' ' GLU . . . . . 0.818 ' HB2' ' HE1' ' B' ' 117' ' ' TYR . 47.2 mt-10 -136.45 132.44 35.4 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.204 -0.907 . . . . 15.0 109.383 178.03 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.072 0 O-C-N 124.154 0.909 . . . . 15.0 110.585 -177.763 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.654 ' HB2' ' CD1' ' A' ' 17' ' ' TRP . 66.0 Cg_exo . . . . . 0 CA--C 1.539 0.762 0 N-CA-C 114.624 0.971 . . . . 15.0 114.624 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 54.6 mttp 73.09 115.99 0.05 Allowed 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 123.589 0.755 . . . . 15.0 111.739 176.415 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.408 ' O ' ' HA ' ' A' ' 31' ' ' ASP . . . 100.3 -3.96 56.84 Favored Glycine 0 N--CA 1.446 -0.698 0 CA-C-N 115.112 -0.949 . . . . 15.0 111.051 -176.421 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.654 ' CD1' ' HB2' ' A' ' 14' ' ' PRO . 80.4 m95 -109.26 121.95 46.28 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.047 0.451 . . . . 15.0 110.713 -179.011 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.59 ' HB2' HG13 ' A' ' 30' ' ' ILE . 17.8 mm-40 -89.85 149.89 22.46 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.32 -0.855 . . . . 15.0 108.851 173.356 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 13.5 p -103.4 119.63 52.21 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 CA-C-O 121.267 0.556 . . . . 15.0 109.714 173.448 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.508 ' HD2' ' HZ ' ' A' ' 28' ' ' PHE . 43.6 ttm-85 -121.43 128.82 52.55 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.882 0.372 . . . . 15.0 110.016 179.566 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -95.28 122.25 37.79 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.048 -0.524 . . . . 15.0 110.344 -178.505 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.445 ' HB3' ' OD1' ' A' ' 24' ' ' ASN . . . -102.59 168.66 8.57 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 116.231 -0.44 . . . . 15.0 110.25 179.352 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_exo -64.98 2.08 1.55 Allowed 'Trans proline' 0 C--N 1.353 0.809 0 C-N-CA 123.105 2.536 . . . . 15.0 113.05 178.213 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.445 ' OD1' ' HB3' ' A' ' 22' ' ' ALA . 6.2 p30 -80.6 1.36 30.09 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.314 -0.403 . . . . 15.0 110.818 175.107 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.31 18.52 69.53 Favored Glycine 0 C--N 1.334 0.461 0 N-CA-C 110.237 -1.145 . . . . 15.0 110.237 -176.77 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.675 ' HG2' ' CE3' ' A' ' 39' ' ' TRP . 5.2 tpt180 -124.99 131.72 24.16 Favored Pre-proline 0 N--CA 1.441 -0.916 0 CA-C-N 114.197 -1.001 . . . . 15.0 110.416 -171.254 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_endo -89.76 113.9 0.56 Allowed 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 122.39 2.06 . . . . 15.0 111.428 170.708 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.518 ' HB3' ' CZ3' ' A' ' 39' ' ' TRP . 31.6 p90 -96.73 139.66 32.46 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.747 -0.464 . . . . 15.0 109.747 179.198 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -89.72 137.98 31.87 Favored 'General case' 0 CA--C 1.508 -0.652 0 CA-C-N 115.795 -0.639 . . . . 15.0 109.945 -175.22 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.62 ' O ' ' HA ' ' A' ' 17' ' ' TRP . 3.4 pt -136.0 119.37 23.39 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.691 0 N-CA-C 114.447 1.277 . . . . 15.0 114.447 -174.707 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.46 ' OD2' ' HB ' ' A' ' 34' ' ' THR . 0.0 OUTLIER -91.29 127.79 36.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 114.657 -1.156 . . . . 15.0 110.621 179.778 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 24.6 m-70 -94.61 -7.7 40.22 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 112.861 0.689 . . . . 15.0 112.861 -174.494 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -98.59 -17.12 18.82 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.228 -0.589 . . . . 15.0 111.027 -175.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.46 ' HB ' ' OD2' ' A' ' 31' ' ' ASP . 2.1 m -124.96 -5.71 7.38 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.356 -0.383 . . . . 15.0 110.907 176.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 48.3 mmtm 59.03 51.93 6.74 Favored 'General case' 0 N--CA 1.464 0.226 0 C-N-CA 123.056 0.543 . . . . 15.0 111.071 -179.168 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 27.3 m -126.13 140.98 52.13 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.893 0.378 . . . . 15.0 111.253 179.417 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 11.3 t -116.94 150.15 38.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 15.0 110.454 179.652 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.515 HG21 ' HG3' ' A' ' 42' ' ' PRO . 13.3 t -147.52 144.14 28.32 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.224 -0.444 . . . . 15.0 110.506 -177.763 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.675 ' CE3' ' HG2' ' A' ' 26' ' ' ARG . 55.7 m95 -99.72 -10.57 21.74 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.662 0.744 . . . . 15.0 109.398 178.34 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -101.09 120.16 39.81 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.303 -0.862 . . . . 15.0 109.378 171.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -47.15 120.5 6.72 Favored Pre-proline 0 N--CA 1.469 0.52 0 CA-C-N 115.832 -0.622 . . . . 15.0 111.194 -175.187 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.515 ' HG3' HG21 ' A' ' 38' ' ' THR . 33.8 Cg_exo . . . . . 0 C--N 1.345 0.374 0 C-N-CA 122.549 2.166 . . . . 15.0 113.48 -178.697 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 114' ' ' PRO . . . . . 0.506 ' HA ' ' HD3' ' B' ' 115' ' ' PRO . 32.9 Cg_exo . . . . . 0 C--O 1.232 0.218 0 CA-C-O 120.585 0.16 . . . . 15.0 112.089 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 115' ' ' PRO . . . . . 0.633 ' HD3' ' CZ2' ' A' ' 39' ' ' TRP . 10.3 Cg_exo -72.12 136.4 26.92 Favored 'Trans proline' 0 N--CA 1.463 -0.266 0 C-N-CA 123.067 2.511 . . . . 15.0 112.486 -177.77 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -58.02 119.95 7.69 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.657 -0.702 . . . . 15.0 109.786 175.579 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 117' ' ' TYR . . . . . 0.484 ' HD1' ' N ' ' B' ' 118' ' ' MET . 0.3 OUTLIER -97.01 123.8 40.82 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.335 -0.546 . . . . 15.0 111.846 -172.694 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 118' ' ' MET . . . . . 0.484 ' N ' ' HD1' ' B' ' 117' ' ' TYR . 19.9 ptm -171.5 59.53 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.236 -0.893 . . . . 15.0 109.718 167.903 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 119' ' ' GLU . . . . . 0.477 ' OE1' HD12 ' A' ' 30' ' ' ILE . 53.4 mt-10 -84.2 113.46 21.1 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.244 -0.889 . . . . 15.0 110.098 179.359 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.969 0 O-C-N 124.08 0.863 . . . . 15.0 112.01 175.825 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.581 ' HB2' ' CD1' ' A' ' 17' ' ' TRP . 6.0 Cg_exo . . . . . 0 CA--C 1.532 0.386 0 N-CA-C 114.067 0.757 . . . . 15.0 114.067 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.569 ' H ' ' HD1' ' A' ' 17' ' ' TRP . 20.7 pttp 178.56 102.46 0.02 OUTLIER 'General case' 0 C--N 1.334 -0.066 0 CA-C-O 121.603 0.716 . . . . 15.0 110.203 -176.911 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 68.93 18.19 72.35 Favored Glycine 0 C--N 1.311 -0.826 0 C-N-CA 120.383 -0.913 . . . . 15.0 113.379 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.609 ' HA ' ' O ' ' A' ' 30' ' ' ILE . 81.2 m95 -95.97 131.62 42.15 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.861 -0.422 . . . . 15.0 109.861 178.573 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.579 ' O ' HG12 ' A' ' 30' ' ' ILE . 15.2 tp10 -105.81 141.96 36.35 Favored 'General case' 0 C--N 1.315 -0.896 0 N-CA-C 108.661 -0.866 . . . . 15.0 108.661 176.35 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 4.2 m -101.57 98.94 7.46 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-O 121.404 0.621 . . . . 15.0 111.164 179.647 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.672 ' HD2' ' HZ ' ' A' ' 28' ' ' PHE . 21.6 ttm180 -92.24 119.08 31.51 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.588 -0.893 . . . . 15.0 108.588 176.722 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 7.9 t-80 -89.97 115.42 27.25 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.024 0.44 . . . . 15.0 110.953 -173.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.464 ' HB1' ' HD2' ' A' ' 23' ' ' PRO . . . -77.16 176.24 3.69 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-N 115.574 -0.739 . . . . 15.0 109.736 175.889 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.464 ' HD2' ' HB1' ' A' ' 22' ' ' ALA . 32.1 Cg_exo -60.57 -18.56 55.29 Favored 'Trans proline' 0 C--N 1.353 0.777 0 C-N-CA 122.208 1.939 . . . . 15.0 111.755 173.017 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.405 ' C ' ' H ' ' A' ' 26' ' ' ARG . 14.7 m120 -63.92 146.61 53.72 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.202 -0.908 . . . . 15.0 110.015 172.186 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -71.73 48.18 1.01 Allowed Glycine 0 CA--C 1.518 0.223 0 N-CA-C 110.388 -1.085 . . . . 15.0 110.388 169.801 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.469 ' HG2' ' CE3' ' A' ' 39' ' ' TRP . 11.8 tpt180 -154.02 122.68 3.08 Favored Pre-proline 0 N--CA 1.44 -0.951 0 CA-C-N 114.577 -0.811 . . . . 15.0 109.808 -169.654 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 8.4 Cg_endo -89.71 125.57 1.39 Allowed 'Trans proline' 0 N--CA 1.45 -1.086 0 C-N-CA 122.406 2.071 . . . . 15.0 111.108 171.562 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.672 ' HZ ' ' HD2' ' A' ' 20' ' ' ARG . 52.5 p90 -90.03 135.24 33.77 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.106 -0.702 . . . . 15.0 109.106 176.605 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -89.77 134.9 33.94 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.622 -0.717 . . . . 15.0 110.387 -171.761 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.878 ' HB ' ' CE2' ' B' ' 117' ' ' TYR . 12.5 pt -130.85 125.65 58.61 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.592 0 N-CA-C 113.689 0.996 . . . . 15.0 113.689 -178.167 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.458 ' HB2' ' CE2' ' A' ' 17' ' ' TRP . 5.8 t70 -89.83 118.53 29.48 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 114.795 -1.093 . . . . 15.0 110.81 -177.784 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 24.9 m-70 -89.93 14.96 10.81 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.704 -0.68 . . . . 15.0 111.068 -178.138 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 46.9 m-80 -96.39 -39.48 9.58 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.672 0.272 . . . . 15.0 110.889 -179.147 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.9 t -142.62 28.05 1.64 Allowed 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 112.257 0.466 . . . . 15.0 112.257 -177.347 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.447 ' HE2' ' HA ' ' B' ' 118' ' ' MET . 2.6 mmmm 51.66 72.63 0.36 Allowed 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 122.482 0.313 . . . . 15.0 111.162 177.253 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 26.7 m -145.45 140.18 27.4 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 110.294 -0.261 . . . . 15.0 110.294 179.453 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.2 t -130.64 148.39 52.43 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.866 0.365 . . . . 15.0 111.363 -177.043 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 8.2 t -149.89 150.03 31.31 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 115.975 -0.557 . . . . 15.0 110.56 176.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.469 ' CE3' ' HG2' ' A' ' 26' ' ' ARG . 86.4 m95 -87.38 -13.07 44.43 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.861 0.363 . . . . 15.0 110.091 177.152 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -90.04 126.0 35.61 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.872 -0.604 . . . . 15.0 109.697 179.389 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -58.93 115.23 11.13 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 123.456 0.472 . . . . 15.0 110.355 -178.431 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.475 ' HB2' ' HB3' ' A' ' 14' ' ' PRO . 32.0 Cg_exo . . . . . 0 CA--C 1.533 0.439 0 C-N-CA 123.035 2.49 . . . . 15.0 113.756 -178.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 114' ' ' PRO . . . . . 0.443 ' HA ' ' HD2' ' B' ' 115' ' ' PRO . 83.6 Cg_endo . . . . . 0 N--CA 1.46 -0.48 0 CA-C-O 120.686 0.202 . . . . 15.0 112.127 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 115' ' ' PRO . . . . . 0.443 ' HD2' ' HA ' ' B' ' 114' ' ' PRO . 19.3 Cg_endo -60.29 135.61 62.9 Favored 'Trans proline' 0 C--O 1.233 0.226 0 C-N-CA 122.917 2.411 . . . . 15.0 111.929 176.662 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 116' ' ' GLU . . . . . 0.416 ' HG3' ' H ' ' B' ' 116' ' ' GLU . 0.0 OUTLIER -59.09 120.06 8.46 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 121.269 0.556 . . . . 15.0 110.322 177.899 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 117' ' ' TYR . . . . . 0.878 ' CE2' ' HB ' ' A' ' 30' ' ' ILE . 1.5 t80 -85.11 121.44 27.88 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.139 -0.482 . . . . 15.0 112.117 -170.414 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 118' ' ' MET . . . . . 0.447 ' HA ' ' HE2' ' A' ' 35' ' ' LYS . 51.8 ttm -175.42 108.34 0.1 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.04 -0.982 . . . . 15.0 108.866 169.571 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -119.35 128.67 54.31 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.595 0.236 . . . . 15.0 110.56 -176.602 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.975 0 CA-C-O 118.447 -0.787 . . . . 15.0 110.458 179.582 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 1.004 ' HG2' ' HB2' ' A' ' 42' ' ' PRO . 0.3 OUTLIER . . . . . 0 CA--C 1.53 0.282 0 N-CA-C 114.143 0.786 . . . . 15.0 114.143 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt -48.05 111.69 0.47 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.317 -0.856 . . . . 15.0 111.286 179.114 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 115.26 -24.67 10.41 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.797 -0.716 . . . . 15.0 112.566 179.397 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.61 ' CE2' ' HB2' ' A' ' 31' ' ' ASP . 85.4 m95 -96.34 130.6 43.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.456 0.646 . . . . 15.0 111.37 -176.533 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -113.06 150.13 32.45 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 114.858 -1.065 . . . . 15.0 109.035 176.782 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 7.1 p -94.14 112.01 26.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 121.608 0.718 . . . . 15.0 111.052 179.781 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 21.9 tpp180 -111.15 120.58 42.77 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.304 -0.628 . . . . 15.0 109.304 177.442 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 15.3 t-80 -93.68 114.59 26.93 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 120.56 -0.456 . . . . 15.0 110.752 -176.351 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.457 ' HB1' ' HD2' ' A' ' 23' ' ' PRO . . . -75.72 175.14 4.47 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 115.862 -0.608 . . . . 15.0 110.147 177.177 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.457 ' HD2' ' HB1' ' A' ' 22' ' ' ALA . 36.4 Cg_exo -61.0 -19.91 65.19 Favored 'Trans proline' 0 C--N 1.353 0.763 0 C-N-CA 122.053 1.835 . . . . 15.0 110.801 169.314 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.425 ' C ' ' H ' ' A' ' 26' ' ' ARG . 11.4 t-20 -59.74 139.1 57.53 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 114.68 -1.145 . . . . 15.0 108.96 170.649 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -71.37 48.69 0.94 Allowed Glycine 0 C--N 1.33 0.241 0 N-CA-C 110.342 -1.103 . . . . 15.0 110.342 170.308 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.751 ' HG2' ' HE3' ' A' ' 39' ' ' TRP . 52.5 ttp180 -160.18 122.13 1.8 Allowed Pre-proline 0 N--CA 1.439 -0.99 0 N-CA-C 107.807 -1.183 . . . . 15.0 107.807 -171.112 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -89.66 127.19 1.58 Allowed 'Trans proline' 0 N--CA 1.449 -1.122 0 C-N-CA 121.55 1.5 . . . . 15.0 111.337 177.86 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 34.5 p90 -89.96 133.47 34.77 Favored 'General case' 0 N--CA 1.443 -0.793 0 N-CA-C 108.969 -0.752 . . . . 15.0 108.969 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -89.66 137.5 32.28 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 115.219 -0.9 . . . . 15.0 109.553 -172.869 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 1.104 ' HB ' ' HE2' ' B' ' 117' ' ' TYR . 21.6 pt -135.24 124.23 41.18 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.69 0 N-CA-C 115.197 1.555 . . . . 15.0 115.197 -172.638 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.61 ' HB2' ' CE2' ' A' ' 17' ' ' TRP . 10.6 t70 -91.05 128.72 36.98 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 114.784 -1.098 . . . . 15.0 110.081 178.2 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 78.0 m-70 -86.17 -20.81 28.05 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 112.475 0.546 . . . . 15.0 112.475 -174.851 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.3 p30 -95.92 -6.16 39.78 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.252 -0.579 . . . . 15.0 111.186 -170.893 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.1 m -122.93 -8.88 8.32 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.247 -0.433 . . . . 15.0 111.413 178.645 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.575 ' HA ' ' CD1' ' B' ' 117' ' ' TYR . 49.8 mmtt 52.29 68.32 0.84 Allowed 'General case' 0 CA--C 1.531 0.241 0 CA-C-O 121.04 0.448 . . . . 15.0 110.461 -171.668 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 28.5 m -150.14 150.08 31.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 15.0 110.706 -177.588 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.557 ' HB ' HG22 ' A' ' 30' ' ' ILE . 9.3 t -133.01 150.1 52.18 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-O 120.895 0.379 . . . . 15.0 111.294 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 12.3 t -145.12 150.07 36.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.977 -0.556 . . . . 15.0 110.034 178.389 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.751 ' HE3' ' HG2' ' A' ' 26' ' ' ARG . 90.2 m95 -94.91 -6.94 41.44 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.778 -0.369 . . . . 15.0 111.043 -178.566 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.471 ' H ' ' HG3' ' A' ' 40' ' ' GLU . 1.1 pp20? -102.17 130.79 48.91 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.832 -0.432 . . . . 15.0 109.832 175.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -61.1 124.82 81.98 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 115.79 -0.641 . . . . 15.0 112.225 -170.754 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 1.004 ' HB2' ' HG2' ' A' ' 14' ' ' PRO . 39.0 Cg_exo . . . . . 0 CA--C 1.532 0.39 0 C-N-CA 123.331 2.687 . . . . 15.0 112.858 176.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 114' ' ' PRO . . . . . 0.484 ' HA ' ' HD3' ' B' ' 115' ' ' PRO . 65.5 Cg_exo . . . . . 0 CA--C 1.529 0.243 0 CA-C-O 120.734 0.223 . . . . 15.0 112.115 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 115' ' ' PRO . . . . . 0.484 ' HD3' ' HA ' ' B' ' 114' ' ' PRO . 34.4 Cg_exo -61.76 139.64 81.52 Favored 'Trans proline' 0 C--O 1.232 0.225 0 C-N-CA 123.117 2.545 . . . . 15.0 112.044 -178.786 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -66.16 138.26 57.58 Favored 'General case' 0 CA--C 1.508 -0.662 0 CA-C-O 121.693 0.759 . . . . 15.0 109.795 176.588 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 117' ' ' TYR . . . . . 1.104 ' HE2' ' HB ' ' A' ' 30' ' ' ILE . 13.2 t80 -109.22 119.8 40.59 Favored 'General case' 0 C--N 1.305 -1.353 0 CA-C-N 114.433 -1.258 . . . . 15.0 112.477 -168.395 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 118' ' ' MET . . . . . . . . . . . . . 61.3 mtt -151.63 89.87 1.52 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.616 -0.72 . . . . 15.0 109.1 168.806 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -131.08 126.65 36.37 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.054 -0.521 . . . . 15.0 110.368 -179.751 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.002 0 O-C-N 124.04 0.837 . . . . 15.0 110.766 179.786 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.8 ' HG2' ' HG2' ' A' ' 42' ' ' PRO . 28.0 Cg_exo . . . . . 0 CA--C 1.519 -0.274 0 N-CA-C 113.854 0.674 . . . . 15.0 113.854 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 58.9 mtpt 35.87 -90.45 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.436 0 O-C-N 124.492 1.12 . . . . 15.0 113.991 173.316 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -122.64 23.3 7.12 Favored Glycine 0 N--CA 1.442 -0.955 0 C-N-CA 121.037 -0.601 . . . . 15.0 113.331 -172.226 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.562 ' HA ' ' O ' ' A' ' 30' ' ' ILE . 85.5 m95 -89.97 127.43 36.03 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.149 0.5 . . . . 15.0 110.31 179.69 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -106.69 150.01 26.69 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.625 -0.716 . . . . 15.0 109.147 176.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 10.8 p -100.59 112.33 33.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 121.586 0.708 . . . . 15.0 110.608 179.62 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.55 ' HB3' ' CE1' ' A' ' 28' ' ' PHE . 14.0 tpp180 -114.67 122.86 47.77 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.582 -0.525 . . . . 15.0 109.582 179.459 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 8.5 t-80 -94.32 128.76 41.02 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.319 -0.4 . . . . 15.0 110.461 -176.269 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.452 ' HB3' ' ND2' ' A' ' 24' ' ' ASN . . . -115.89 171.8 4.32 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 116.356 -0.384 . . . . 15.0 110.818 -178.118 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_exo -63.96 0.61 1.96 Allowed 'Trans proline' 0 C--N 1.358 1.077 0 C-N-CA 123.284 2.656 . . . . 15.0 113.376 178.822 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.452 ' ND2' ' HB3' ' A' ' 22' ' ' ALA . 5.1 p30 -76.47 0.26 20.43 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.049 -0.523 . . . . 15.0 110.937 174.746 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 65.21 19.17 65.91 Favored Glycine 0 CA--C 1.504 -0.636 0 N-CA-C 110.031 -1.228 . . . . 15.0 110.031 -176.019 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.62 ' HD2' ' HD2' ' A' ' 27' ' ' PRO . 29.5 tpt180 -131.05 134.4 25.87 Favored Pre-proline 0 N--CA 1.436 -1.137 0 CA-C-N 114.267 -0.967 . . . . 15.0 110.171 -170.607 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.62 ' HD2' ' HD2' ' A' ' 26' ' ' ARG . 6.0 Cg_endo -89.61 115.23 0.63 Allowed 'Trans proline' 0 N--CA 1.448 -1.158 0 C-N-CA 121.852 1.702 . . . . 15.0 110.886 170.07 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.55 ' CE1' ' HB3' ' A' ' 20' ' ' ARG . 5.6 p90 -90.0 142.86 27.3 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 120.309 -0.556 . . . . 15.0 109.608 178.504 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 65.9 m-85 -93.18 129.94 39.03 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.622 -0.717 . . . . 15.0 109.67 -175.721 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 1.073 ' HB ' ' HE2' ' B' ' 117' ' ' TYR . 16.1 pt -133.7 125.91 50.34 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.467 0 N-CA-C 114.177 1.177 . . . . 15.0 114.177 -175.913 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.508 ' HB2' ' CE2' ' A' ' 17' ' ' TRP . 7.2 t70 -89.95 125.6 35.43 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.032 -0.985 . . . . 15.0 110.423 -179.317 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.405 ' HA ' ' OH ' ' B' ' 117' ' ' TYR . 47.2 m-70 -92.85 11.79 25.89 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.04 -0.527 . . . . 15.0 111.744 -177.091 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 57.2 m-80 -94.59 -43.79 8.14 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 121.076 -0.25 . . . . 15.0 110.915 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 11.0 t -126.51 13.66 7.58 Favored 'General case' 0 CA--C 1.536 0.422 0 N-CA-C 112.561 0.578 . . . . 15.0 112.561 -174.494 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.514 ' HA ' ' CE1' ' B' ' 117' ' ' TYR . 14.3 mptt 58.3 77.1 0.31 Allowed 'General case' 0 N--CA 1.469 0.491 0 CA-C-O 120.671 0.272 . . . . 15.0 111.631 -178.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 40.4 m -150.2 145.26 26.14 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 122.28 -0.263 . . . . 15.0 111.12 178.825 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.596 ' HB ' HG22 ' A' ' 30' ' ' ILE . 9.0 t -125.69 149.73 48.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.287 -0.415 . . . . 15.0 110.495 178.537 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.508 HG22 ' CZ3' ' A' ' 17' ' ' TRP . 10.1 t -149.86 150.14 31.5 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.062 0.458 . . . . 15.0 111.182 177.552 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.525 ' HZ2' ' HD3' ' B' ' 115' ' ' PRO . 12.2 m95 -105.08 1.57 28.62 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.943 -0.762 . . . . 15.0 108.943 175.693 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -81.26 -19.14 43.71 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.793 -0.64 . . . . 15.0 111.441 -175.783 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 16.0 t0 68.16 118.08 0.03 OUTLIER Pre-proline 0 N--CA 1.468 0.446 0 O-C-N 124.032 0.832 . . . . 15.0 112.416 -178.818 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.8 ' HG2' ' HG2' ' A' ' 14' ' ' PRO . 58.3 Cg_endo . . . . . 0 N--CA 1.461 -0.402 0 C-N-CA 122.521 2.147 . . . . 15.0 112.977 176.55 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 114' ' ' PRO . . . . . 0.474 ' HA ' ' HD3' ' B' ' 115' ' ' PRO . 25.3 Cg_exo . . . . . 0 C--O 1.235 0.355 0 CA-C-O 120.884 0.285 . . . . 15.0 112.643 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 115' ' ' PRO . . . . . 0.525 ' HD3' ' HZ2' ' A' ' 39' ' ' TRP . 14.3 Cg_exo -69.26 147.85 67.02 Favored 'Trans proline' 0 C--O 1.233 0.229 0 C-N-CA 123.279 2.653 . . . . 15.0 110.875 177.549 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -67.7 119.9 13.19 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.073 0.463 . . . . 15.0 109.963 -179.66 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 117' ' ' TYR . . . . . 1.073 ' HE2' ' HB ' ' A' ' 30' ' ' ILE . 2.9 t80 -92.7 126.9 37.99 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.88 -0.6 . . . . 15.0 110.436 -175.805 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 118' ' ' MET . . . . . . . . . . . . . 22.6 ptt? -179.59 58.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.588 0.709 . . . . 15.0 111.031 174.795 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 119' ' ' GLU . . . . . 0.403 ' HB2' ' H ' ' B' ' 120' ' ' ALA . 1.7 mp0 -91.05 -80.91 0.33 Allowed 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 115.315 -0.857 . . . . 15.0 109.151 175.775 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 120' ' ' ALA . . . . . 0.403 ' H ' ' HB2' ' B' ' 119' ' ' GLU . . . . . . . . 0 C--O 1.251 1.133 0 CA-C-O 118.3 -0.857 . . . . 15.0 109.703 177.587 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.76 ' HB2' ' CD1' ' A' ' 17' ' ' TRP . 9.2 Cg_endo . . . . . 0 N--CA 1.462 -0.364 0 N-CA-C 110.731 -0.527 . . . . 15.0 110.731 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.7 mmmm -52.84 101.91 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 113.057 0.762 . . . . 15.0 113.057 -172.491 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.09 30.44 42.31 Favored Glycine 0 N--CA 1.45 -0.372 0 CA-C-N 115.729 -0.669 . . . . 15.0 114.582 169.543 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.76 ' CD1' ' HB2' ' A' ' 14' ' ' PRO . 73.4 m95 -105.88 132.94 51.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 117.815 0.807 . . . . 15.0 111.29 177.476 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.407 ' O ' HG12 ' A' ' 30' ' ' ILE . 8.9 tp10 -108.83 149.91 28.41 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.268 -0.878 . . . . 15.0 109.056 175.671 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.417 ' O ' HG13 ' A' ' 19' ' ' VAL . 6.3 p -102.83 96.59 4.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-O 121.586 0.707 . . . . 15.0 110.283 179.203 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.515 ' HD2' ' CZ ' ' A' ' 28' ' ' PHE . 24.0 ttm180 -95.03 128.61 42.0 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.753 -0.832 . . . . 15.0 108.753 178.356 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 10.0 t-80 -89.9 113.91 25.61 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 120.884 0.373 . . . . 15.0 110.663 -175.865 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -88.19 157.72 50.43 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-N 115.956 -0.565 . . . . 15.0 110.716 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 21.9 Cg_exo -66.59 3.5 1.41 Allowed 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 123.126 2.55 . . . . 15.0 112.451 176.531 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 23.6 m120 -77.66 8.52 4.33 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.056 -0.52 . . . . 15.0 110.975 178.487 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 61.31 30.66 74.68 Favored Glycine 0 CA--C 1.504 -0.617 0 N-CA-C 109.514 -1.434 . . . . 15.0 109.514 -169.805 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.748 ' HG2' ' CE3' ' A' ' 39' ' ' TRP . 17.0 tpt180 -144.41 130.75 9.97 Favored Pre-proline 0 N--CA 1.439 -0.981 0 CA-C-N 114.089 -1.055 . . . . 15.0 110.666 -168.868 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_endo -89.56 122.18 1.13 Allowed 'Trans proline' 0 N--CA 1.455 -0.761 0 C-N-CA 122.65 2.233 . . . . 15.0 111.122 168.576 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.515 ' CZ ' ' HD2' ' A' ' 20' ' ' ARG . 39.3 p90 -101.81 140.14 36.51 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.752 -0.462 . . . . 15.0 109.752 179.557 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -89.91 136.95 32.73 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.833 -0.622 . . . . 15.0 110.391 -174.798 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.859 ' HB ' ' CE2' ' B' ' 117' ' ' TYR . 27.2 pt -134.45 126.31 48.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 N-CA-C 114.885 1.439 . . . . 15.0 114.885 -175.52 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -90.08 125.01 35.27 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 114.739 -1.119 . . . . 15.0 110.461 175.879 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 59.6 m-70 -92.7 -1.23 57.02 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.149 -0.478 . . . . 15.0 111.107 -175.574 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 45.1 m-80 -82.8 -44.14 15.87 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 121.017 -0.273 . . . . 15.0 110.632 -177.641 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 29.4 p -126.32 12.97 7.65 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 111.777 0.288 . . . . 15.0 111.777 -176.783 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.513 ' HD3' ' HA ' ' B' ' 118' ' ' MET . 37.2 mttm 49.56 78.62 0.09 Allowed 'General case' 0 CA--C 1.531 0.232 0 CA-C-O 121.33 0.586 . . . . 15.0 112.096 -176.382 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.8 t -142.24 149.96 40.31 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.767 -0.651 . . . . 15.0 109.666 176.219 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 11.3 t -137.36 150.03 47.42 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.952 0.406 . . . . 15.0 111.248 -173.838 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.41 HG22 ' CZ3' ' A' ' 17' ' ' TRP . 4.1 t -145.22 146.44 31.72 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.994 -0.548 . . . . 15.0 110.793 179.714 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.748 ' CE3' ' HG2' ' A' ' 26' ' ' ARG . 77.8 m95 -83.77 -32.25 25.51 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 109.883 -0.414 . . . . 15.0 109.883 175.166 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -82.25 139.97 33.92 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 109.245 -0.65 . . . . 15.0 109.245 178.109 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 45.2 t0 -68.15 115.91 33.71 Favored Pre-proline 0 C--N 1.321 -0.648 0 CA-C-N 115.756 -0.656 . . . . 15.0 112.431 -171.497 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.449 ' HG2' ' HG3' ' A' ' 14' ' ' PRO . 72.4 Cg_endo . . . . . 0 C--N 1.347 0.466 0 C-N-CA 123.093 2.529 . . . . 15.0 112.115 176.054 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 114' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_endo . . . . . 0 C--O 1.234 0.276 0 CA-C-O 120.839 0.266 . . . . 15.0 111.88 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 115' ' ' PRO . . . . . 0.426 ' HD3' ' CZ2' ' A' ' 39' ' ' TRP . 41.8 Cg_endo -66.64 134.19 34.45 Favored 'Trans proline' 0 C--O 1.234 0.295 0 C-N-CA 122.758 2.305 . . . . 15.0 112.162 -177.429 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -58.35 119.96 7.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.215 0.531 . . . . 15.0 109.863 176.412 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 117' ' ' TYR . . . . . 0.859 ' CE2' ' HB ' ' A' ' 30' ' ' ILE . 0.3 OUTLIER -89.43 120.66 30.95 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.035 -0.529 . . . . 15.0 111.133 -174.341 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 118' ' ' MET . . . . . 0.513 ' HA ' ' HD3' ' A' ' 35' ' ' LYS . 54.8 ttp -172.19 106.02 0.19 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.052 -0.976 . . . . 15.0 109.175 169.783 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -104.68 -83.48 0.5 Allowed 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.231 -0.655 . . . . 15.0 109.231 179.002 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.97 0 CA-C-O 118.472 -0.775 . . . . 15.0 109.183 175.619 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.743 ' HG2' ' HG2' ' A' ' 42' ' ' PRO . 36.8 Cg_exo . . . . . 0 C--O 1.235 0.341 0 N-CA-C 113.56 0.562 . . . . 15.0 113.56 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 43.9 tttm -60.82 113.18 2.36 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.54 -0.754 . . . . 15.0 110.852 179.231 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 125.64 -20.08 6.53 Favored Glycine 0 N--CA 1.449 -0.494 0 CA-C-N 115.795 -0.639 . . . . 15.0 112.23 -178.523 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.621 ' HA ' ' O ' ' A' ' 30' ' ' ILE . 83.4 m95 -103.54 128.72 50.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.177 0.513 . . . . 15.0 111.276 -179.189 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.544 ' O ' HG12 ' A' ' 30' ' ' ILE . 23.7 mt-10 -100.39 143.85 30.09 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.545 -0.752 . . . . 15.0 109.602 172.082 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 24.8 t -93.98 105.6 17.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-O 120.918 0.389 . . . . 15.0 110.246 178.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.494 ' HD2' ' CZ ' ' A' ' 28' ' ' PHE . 60.3 ttm-85 -107.52 122.26 46.29 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.282 -0.636 . . . . 15.0 109.282 179.181 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.655 ' HA ' ' HA ' ' A' ' 27' ' ' PRO . 36.1 t-80 -89.8 123.54 33.87 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.077 0.465 . . . . 15.0 110.298 -173.304 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -94.66 163.68 21.88 Favored Pre-proline 0 C--N 1.322 -0.594 0 CA-C-N 115.737 -0.665 . . . . 15.0 110.992 -177.087 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo -69.17 6.26 1.18 Allowed 'Trans proline' 0 C--N 1.349 0.59 0 C-N-CA 123.072 2.515 . . . . 15.0 112.077 173.465 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.522 HD21 ' HH2' ' A' ' 39' ' ' TRP . 94.2 m-20 -81.19 13.68 2.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.743 -0.662 . . . . 15.0 110.671 176.726 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 56.39 30.2 58.15 Favored Glycine 0 C--N 1.337 0.606 0 N-CA-C 109.95 -1.26 . . . . 15.0 109.95 -171.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.644 ' HG2' ' CE3' ' A' ' 39' ' ' TRP . 17.1 ttt180 -149.78 136.94 11.21 Favored Pre-proline 0 N--CA 1.44 -0.968 0 CA-C-N 114.525 -0.837 . . . . 15.0 110.571 -169.916 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.655 ' HA ' ' HA ' ' A' ' 21' ' ' HIS . 13.1 Cg_endo -89.52 128.45 1.75 Allowed 'Trans proline' 0 N--CA 1.452 -0.915 0 C-N-CA 122.523 2.149 . . . . 15.0 111.606 171.605 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.494 ' CZ ' ' HD2' ' A' ' 20' ' ' ARG . 8.0 p90 -102.44 142.9 32.89 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-O 121.338 0.59 . . . . 15.0 109.673 174.411 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.418 ' O ' ' HA ' ' A' ' 37' ' ' THR . 98.7 m-85 -90.07 137.53 32.27 Favored 'General case' 0 CA--C 1.502 -0.869 0 CA-C-N 115.521 -0.763 . . . . 15.0 110.382 -177.267 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.771 ' HB ' ' CE2' ' B' ' 117' ' ' TYR . 26.2 pt -127.45 125.18 65.23 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.926 0 N-CA-C 114.414 1.265 . . . . 15.0 114.414 -175.689 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.473 ' HB2' ' CE2' ' A' ' 17' ' ' TRP . 5.1 t70 -97.74 126.8 43.28 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 114.034 -1.439 . . . . 15.0 110.896 -179.141 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 83.4 m-70 -91.13 -2.11 57.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.911 -0.586 . . . . 15.0 111.406 -178.77 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 38.1 m-80 -87.47 -54.26 4.38 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.69 0.281 . . . . 15.0 111.672 -175.166 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.41 ' O ' HG22 ' A' ' 34' ' ' THR . 7.1 m -116.85 16.0 15.25 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.134 0.492 . . . . 15.0 111.321 -172.454 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.497 ' HE2' ' HA ' ' B' ' 118' ' ' MET . 10.8 mmmm 55.54 73.69 0.41 Allowed 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.098 -0.501 . . . . 15.0 111.453 -179.705 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 7.3 p -144.59 150.19 37.04 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 112.366 0.506 . . . . 15.0 112.366 -177.258 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.469 ' OG1' ' HB2' ' B' ' 117' ' ' TYR . 98.8 m -132.53 137.03 47.0 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.547 -0.752 . . . . 15.0 110.206 177.805 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.538 HG22 ' CZ3' ' A' ' 17' ' ' TRP . 4.8 t -135.21 141.45 45.83 Favored 'General case' 0 C--O 1.224 -0.281 0 CA-C-O 121.027 0.441 . . . . 15.0 111.231 179.587 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.644 ' CE3' ' HG2' ' A' ' 26' ' ' ARG . 96.1 m95 -84.48 -11.84 55.4 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.156 -0.474 . . . . 15.0 110.205 178.424 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -114.66 134.5 55.02 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.638 -0.71 . . . . 15.0 109.705 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.434 ' HA ' ' HD2' ' A' ' 42' ' ' PRO . 25.4 t0 -48.53 118.53 7.02 Favored Pre-proline 0 N--CA 1.465 0.32 0 O-C-N 123.91 0.756 . . . . 15.0 111.165 -176.202 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.743 ' HG2' ' HG2' ' A' ' 14' ' ' PRO . 10.0 Cg_endo . . . . . 0 C--N 1.349 0.568 0 C-N-CA 123.571 2.848 . . . . 15.0 114.689 178.483 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 114' ' ' PRO . . . . . 0.452 ' HA ' ' HD3' ' B' ' 115' ' ' PRO . 31.2 Cg_endo . . . . . 0 C--O 1.235 0.347 0 CA-C-O 121.243 0.435 . . . . 15.0 113.019 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 115' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' B' ' 114' ' ' PRO . 6.5 Cg_endo -88.64 134.55 2.81 Favored 'Trans proline' 0 N--CA 1.452 -0.958 0 C-N-CA 123.436 2.758 . . . . 15.0 111.64 177.4 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -70.53 121.71 18.32 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.507 -0.553 . . . . 15.0 109.507 176.382 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 117' ' ' TYR . . . . . 0.771 ' CE2' ' HB ' ' A' ' 30' ' ' ILE . 38.8 t80 -86.83 119.8 27.44 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 120.643 -0.423 . . . . 15.0 111.454 -175.591 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 118' ' ' MET . . . . . 0.497 ' HA ' ' HE2' ' A' ' 35' ' ' LYS . 25.5 mmt -151.7 64.84 0.86 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.904 -0.589 . . . . 15.0 109.721 171.633 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -97.25 4.64 50.89 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.226 -0.443 . . . . 15.0 110.876 -179.523 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 120' ' ' ALA . . . . . 0.45 ' H ' ' HE3' ' A' ' 35' ' ' LYS . . . . . . . . 0 C--O 1.248 0.983 0 CA-C-O 118.714 -0.66 . . . . 15.0 110.241 179.357 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 51.8 t80 . . . . . 0 N--CA 1.477 0.922 0 CA-C-O 120.61 0.243 . . . . 15.0 110.351 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.442 HD23 ' N ' ' A' ' 13' ' ' LEU . 2.0 pt? -154.9 152.81 26.34 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 116.452 -0.34 . . . . 15.0 110.49 -179.592 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.687 ' HG2' ' HG2' ' A' ' 42' ' ' PRO . 9.3 Cg_exo -35.93 139.95 0.14 Allowed 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 124.774 3.649 . . . . 15.0 114.921 177.335 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 23.4 tptm -58.72 117.53 4.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 114.842 -1.072 . . . . 15.0 110.924 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 114.13 -22.37 14.12 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.848 -0.692 . . . . 15.0 112.185 179.542 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.612 ' CD1' ' HB2' ' A' ' 14' ' ' PRO . 76.5 m95 -89.91 136.73 32.87 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.884 0.85 . . . . 15.0 111.217 -177.36 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.42 ' O ' HG12 ' A' ' 30' ' ' ILE . 7.8 tt0 -101.14 144.75 29.65 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 114.226 -1.352 . . . . 15.0 108.941 177.384 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 9.9 p -106.87 119.61 56.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.509 0.671 . . . . 15.0 109.6 172.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.505 ' HB2' HD11 ' A' ' 30' ' ' ILE . 26.7 ttm180 -124.02 133.28 53.7 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 109.3 -0.63 . . . . 15.0 109.3 -178.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 4.0 t-80 -92.95 114.42 26.97 Favored 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 120.75 -0.38 . . . . 15.0 110.275 -177.286 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -93.51 163.06 25.85 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 115.909 -0.587 . . . . 15.0 110.692 -178.379 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_exo -64.28 -0.59 2.97 Favored 'Trans proline' 0 C--N 1.35 0.632 0 C-N-CA 123.059 2.506 . . . . 15.0 112.432 177.373 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -75.03 5.66 5.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.837 -0.619 . . . . 15.0 111.012 175.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 61.12 27.2 66.94 Favored Glycine 0 CA--C 1.505 -0.551 0 N-CA-C 109.375 -1.49 . . . . 15.0 109.375 -171.152 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.715 ' HG2' ' CE3' ' A' ' 39' ' ' TRP . 26.8 tpt180 -136.72 132.83 18.67 Favored Pre-proline 0 N--CA 1.441 -0.878 0 CA-C-N 114.221 -0.99 . . . . 15.0 110.849 -168.445 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 8.3 Cg_endo -89.62 112.35 0.52 Allowed 'Trans proline' 0 N--CA 1.449 -1.13 0 C-N-CA 122.445 2.097 . . . . 15.0 110.736 168.079 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.528 ' H ' ' HD1' ' A' ' 28' ' ' PHE . 0.9 OUTLIER -95.5 139.47 31.73 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.21 -0.663 . . . . 15.0 109.21 179.303 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.651 ' HB2' ' OG1' ' A' ' 38' ' ' THR . 92.2 m-85 -89.75 131.13 35.86 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.003 -0.544 . . . . 15.0 110.169 -174.316 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.646 ' HB ' ' CE1' ' B' ' 117' ' ' TYR . 0.0 OUTLIER -139.62 112.81 6.03 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.405 0 N-CA-C 115.029 1.492 . . . . 15.0 115.029 -172.738 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.464 ' HB2' ' CD2' ' A' ' 17' ' ' TRP . 9.9 t0 -89.99 129.45 36.32 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.571 -0.74 . . . . 15.0 110.81 178.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 62.0 m-70 -88.98 -18.64 26.99 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.472 -0.785 . . . . 15.0 111.723 -176.149 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -91.61 -20.09 22.02 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.35 -0.54 . . . . 15.0 111.854 -171.576 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.0 m -117.23 -4.01 11.44 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.84 -0.344 . . . . 15.0 111.04 176.584 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 48.3 mmtm 58.32 73.57 0.47 Allowed 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 122.88 0.472 . . . . 15.0 111.315 -176.591 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.9 p -146.52 150.09 34.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.398 -0.365 . . . . 15.0 111.439 -178.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.429 HG21 ' O ' ' B' ' 115' ' ' PRO . 9.0 t -131.74 147.87 52.53 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.078 -0.51 . . . . 15.0 109.94 177.123 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.651 ' OG1' ' HB2' ' A' ' 29' ' ' PHE . 34.2 p -144.08 149.99 37.46 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.303 -0.408 . . . . 15.0 110.454 -176.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.715 ' CE3' ' HG2' ' A' ' 26' ' ' ARG . 95.1 m95 -95.38 -33.87 12.34 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.337 -0.616 . . . . 15.0 109.337 171.356 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -88.56 140.57 29.32 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.614 -0.721 . . . . 15.0 109.656 174.678 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.422 ' HA ' ' HD2' ' A' ' 42' ' ' PRO . 9.8 t70 -54.48 121.9 35.22 Favored Pre-proline 0 C--N 1.327 -0.381 0 O-C-N 123.501 0.501 . . . . 15.0 110.508 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.687 ' HG2' ' HG2' ' A' ' 14' ' ' PRO . 11.2 Cg_endo -56.07 -10.08 3.97 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 123.714 2.943 . . . . 15.0 114.609 -177.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.53 ' HG3' ' HD3' ' A' ' 14' ' ' PRO . 77.3 mtm180 -68.55 -31.73 71.17 Favored 'General case' 0 C--N 1.328 -0.366 0 O-C-N 121.809 -0.557 . . . . 15.0 109.939 173.54 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.405 HD23 ' HB3' ' A' ' 41' ' ' ASP . 3.7 mm? -80.41 -27.31 38.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.763 -0.653 . . . . 15.0 111.193 178.335 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 57.5 mttp -128.62 97.54 4.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.861 0.362 . . . . 15.0 110.767 178.298 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 8.1 tt . . . . . 0 C--O 1.246 0.919 0 CA-C-O 118.122 -0.942 . . . . 15.0 110.311 178.811 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 15.9 p . . . . . 0 N--CA 1.476 0.873 0 N-CA-C 110.699 -0.111 . . . . 15.0 110.699 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 113' ' ' ALA . . . . . . . . . . . . . . . 72.45 97.77 0.04 OUTLIER Pre-proline 0 N--CA 1.467 0.375 0 C-N-CA 123.272 0.629 . . . . 15.0 111.656 177.602 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 114' ' ' PRO . . . . . 0.479 ' HA ' ' HD3' ' B' ' 115' ' ' PRO . 73.7 Cg_endo -75.01 132.32 15.26 Favored 'Trans proline' 0 C--O 1.234 0.321 0 C-N-CA 122.773 2.315 . . . . 15.0 112.366 -178.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 115' ' ' PRO . . . . . 0.479 ' HD3' ' HA ' ' B' ' 114' ' ' PRO . 6.3 Cg_exo -79.41 135.48 11.9 Favored 'Trans proline' 0 N--CA 1.461 -0.43 0 C-N-CA 123.117 2.545 . . . . 15.0 111.788 178.18 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -65.27 136.53 56.7 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.395 -0.965 . . . . 15.0 108.395 174.137 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 117' ' ' TYR . . . . . 0.646 ' CE1' ' HB ' ' A' ' 30' ' ' ILE . 45.3 t80 -104.25 126.17 51.13 Favored 'General case' 0 C--N 1.316 -0.878 0 C-N-CA 120.11 -0.636 . . . . 15.0 112.623 -170.526 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 118' ' ' MET . . . . . . . . . . . . . 12.7 tpt -163.35 91.53 0.7 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.13 -0.941 . . . . 15.0 109.111 166.764 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 -125.99 109.31 12.29 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 114.585 -1.189 . . . . 15.0 110.308 -175.389 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.97 0 CA-C-O 118.475 -0.774 . . . . 15.0 110.003 -179.482 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 8.3 p90 . . . . . 0 N--CA 1.48 1.041 0 CA-C-O 120.533 0.206 . . . . 15.0 111.52 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.6 pp -83.77 152.97 63.92 Favored Pre-proline 0 C--O 1.235 0.312 0 C-N-CA 120.707 -0.397 . . . . 15.0 110.451 175.321 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.723 ' HG2' ' HB2' ' A' ' 42' ' ' PRO . 15.3 Cg_exo -42.0 135.44 3.83 Favored 'Trans proline' 0 CA--C 1.529 0.242 0 C-N-CA 123.823 3.015 . . . . 15.0 112.611 173.862 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -76.08 11.82 1.35 Allowed 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 112.925 0.713 . . . . 15.0 112.925 -169.529 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.502 ' O ' ' HA ' ' A' ' 31' ' ' ASP . . . -114.14 -6.89 19.93 Favored Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 120.384 -0.912 . . . . 15.0 111.887 175.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.657 ' CE2' ' HB2' ' A' ' 31' ' ' ASP . 65.0 m95 -111.19 129.5 55.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.399 0.619 . . . . 15.0 112.183 -171.473 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -94.68 147.87 22.86 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.005 -0.998 . . . . 15.0 110.325 173.803 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.453 ' O ' HG13 ' A' ' 19' ' ' VAL . 7.4 p -97.77 90.96 2.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 121.652 0.739 . . . . 15.0 110.044 177.182 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' A' ' 20' ' ' ARG . 3.7 tpp180 -96.4 125.59 41.0 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.555 -0.535 . . . . 15.0 109.555 -178.083 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.471 ' HA ' ' HA ' ' A' ' 27' ' ' PRO . 7.7 t-80 -90.2 128.46 36.38 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.8 0.333 . . . . 15.0 110.744 -174.54 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -108.98 160.72 26.36 Favored Pre-proline 0 C--N 1.327 -0.405 0 CA-C-N 116.182 -0.463 . . . . 15.0 110.375 178.008 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_exo -64.36 3.65 0.77 Allowed 'Trans proline' 0 C--N 1.35 0.651 0 C-N-CA 123.185 2.59 . . . . 15.0 112.79 176.535 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -71.14 -3.15 18.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.827 -0.624 . . . . 15.0 111.105 175.085 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 69.73 12.86 68.1 Favored Glycine 0 N--CA 1.448 -0.517 0 N-CA-C 109.358 -1.497 . . . . 15.0 109.358 -168.222 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.478 ' HG2' ' HE3' ' A' ' 39' ' ' TRP . 19.5 ttp180 -130.56 132.62 24.1 Favored Pre-proline 0 N--CA 1.44 -0.937 0 CA-C-N 113.884 -1.158 . . . . 15.0 109.803 -172.463 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.471 ' HA ' ' HA ' ' A' ' 21' ' ' HIS . 7.0 Cg_endo -89.66 119.08 0.84 Allowed 'Trans proline' 0 N--CA 1.445 -1.348 0 C-N-CA 121.976 1.784 . . . . 15.0 110.695 170.242 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 49.0 p90 -89.69 137.59 32.2 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 108.944 -0.761 . . . . 15.0 108.944 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.436 ' O ' ' HA ' ' A' ' 37' ' ' THR . 96.8 m-85 -90.1 139.39 30.67 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 116.077 -0.51 . . . . 15.0 110.214 -175.684 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.604 ' HB ' ' CE2' ' B' ' 117' ' ' TYR . 10.4 pt -138.17 126.29 30.37 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.491 0 N-CA-C 114.016 1.117 . . . . 15.0 114.016 -177.69 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.657 ' HB2' ' CE2' ' A' ' 17' ' ' TRP . 15.9 t70 -89.82 132.25 35.35 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 115.175 -0.92 . . . . 15.0 109.891 179.459 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 61.6 m-70 -95.17 -22.65 17.71 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 113.109 0.781 . . . . 15.0 113.109 -174.132 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -81.76 -30.01 32.58 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 120.26 -0.576 . . . . 15.0 109.884 -177.576 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 18.0 p -134.9 103.7 5.7 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 108.174 -1.047 . . . . 15.0 108.174 170.189 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.536 ' HB3' ' CD1' ' B' ' 117' ' ' TYR . 11.7 mmmt -57.68 97.19 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 116.523 -0.308 . . . . 15.0 111.669 -166.895 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.7 p -145.03 150.0 36.1 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.838 -0.619 . . . . 15.0 110.622 -179.6 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.436 ' HA ' ' O ' ' A' ' 29' ' ' PHE . 10.2 t -129.03 144.94 51.35 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-O 120.685 0.279 . . . . 15.0 111.287 -177.475 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.523 ' HB ' ' OE2' ' A' ' 40' ' ' GLU . 66.4 p -133.01 150.06 52.18 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.229 -0.441 . . . . 15.0 110.695 178.314 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.478 ' HE3' ' HG2' ' A' ' 26' ' ' ARG . 99.8 m95 -93.85 -19.93 20.53 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.058 0.456 . . . . 15.0 109.974 174.616 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.523 ' OE2' ' HB ' ' A' ' 38' ' ' THR . 0.0 OUTLIER -103.8 144.5 31.41 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.734 -0.666 . . . . 15.0 110.159 175.674 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.423 ' HA ' ' HD2' ' A' ' 42' ' ' PRO . 7.2 t70 -58.52 123.15 65.42 Favored Pre-proline 0 C--N 1.324 -0.536 0 CA-C-N 115.37 -0.832 . . . . 15.0 111.392 -172.822 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.723 ' HB2' ' HG2' ' A' ' 14' ' ' PRO . 12.0 Cg_endo -58.23 -9.44 6.5 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.926 2.417 . . . . 15.0 114.05 177.251 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 78.5 mtm180 -62.67 -11.2 15.64 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 118.329 0.513 . . . . 15.0 110.221 172.091 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 92.4 mt -77.85 -16.96 57.9 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.965 -0.561 . . . . 15.0 110.915 173.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.439 ' O ' ' HG2' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -147.43 107.57 4.04 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-O 121.909 0.861 . . . . 15.0 110.668 175.587 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.538 HD13 ' H ' ' A' ' 46' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--O 1.248 1.008 0 CA-C-N 115.601 -0.727 . . . . 15.0 110.964 -176.668 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 8.1 t . . . . . 0 N--CA 1.479 0.989 0 N-CA-C 110.026 -0.361 . . . . 15.0 110.026 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 113' ' ' ALA . . . . . 0.424 ' HA ' ' HD3' ' B' ' 114' ' ' PRO . . . -151.75 131.88 7.14 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-N 116.551 -0.295 . . . . 15.0 111.647 -177.619 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 114' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' B' ' 113' ' ' ALA . 21.1 Cg_exo -65.08 130.56 26.05 Favored 'Trans proline' 0 C--O 1.235 0.372 0 C-N-CA 122.805 2.337 . . . . 15.0 110.929 173.884 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 115' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -60.14 130.17 33.22 Favored 'Trans proline' 0 N--CA 1.461 -0.4 0 C-N-CA 122.624 2.216 . . . . 15.0 112.194 -178.198 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 116' ' ' GLU . . . . . 0.519 ' CD ' ' H ' ' B' ' 116' ' ' GLU . 1.3 mp0 -56.07 133.98 52.31 Favored 'General case' 0 CA--C 1.516 -0.362 0 N-CA-C 108.664 -0.865 . . . . 15.0 108.664 175.043 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 117' ' ' TYR . . . . . 0.604 ' CE2' ' HB ' ' A' ' 30' ' ' ILE . 0.3 OUTLIER -107.3 119.88 40.61 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-O 121.377 0.608 . . . . 15.0 111.227 -169.89 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 118' ' ' MET . . . . . 0.426 ' N ' ' HD1' ' B' ' 117' ' ' TYR . 12.1 tmm? -160.03 105.75 1.56 Allowed 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 106.83 -1.545 . . . . 15.0 106.83 166.306 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 18.6 tp10 -173.49 123.52 0.37 Allowed 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.511 -0.768 . . . . 15.0 109.136 -168.357 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.875 0 CA-C-O 118.673 -0.679 . . . . 15.0 111.174 -179.056 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 22.0 p90 . . . . . 0 N--CA 1.482 1.143 0 CA-C-O 120.73 0.3 . . . . 15.0 110.897 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.5 ' HB2' ' HD2' ' A' ' 14' ' ' PRO . 0.9 OUTLIER -110.19 168.55 7.47 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 116.452 -0.34 . . . . 15.0 111.397 -173.637 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.917 ' HG2' ' HB2' ' A' ' 42' ' ' PRO . 67.4 Cg_exo -45.85 130.94 13.21 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 123.494 2.796 . . . . 15.0 113.326 175.417 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 54.5 mttm -65.64 120.72 13.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.682 -0.69 . . . . 15.0 110.676 -178.612 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 116.74 -15.21 14.3 Favored Glycine 0 N--CA 1.449 -0.46 0 N-CA-C 111.437 -0.665 . . . . 15.0 111.437 -177.4 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.648 ' CD1' ' HB2' ' A' ' 14' ' ' PRO . 69.6 m95 -99.34 128.95 45.51 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.31 0.576 . . . . 15.0 110.503 178.758 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.416 ' HB2' HG13 ' A' ' 30' ' ' ILE . 48.7 mm-40 -95.92 142.61 27.95 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 115.625 -0.716 . . . . 15.0 110.028 175.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 9.9 p -96.52 107.72 20.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.7 0.762 . . . . 15.0 110.068 175.082 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 21.9 tpp180 -109.36 126.01 52.97 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.996 -0.742 . . . . 15.0 108.996 -179.59 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.402 ' HA ' ' HA ' ' A' ' 27' ' ' PRO . 7.7 t-80 -91.95 120.16 32.35 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.89 0.376 . . . . 15.0 110.999 -174.574 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.452 ' HB1' ' HD2' ' A' ' 23' ' ' PRO . . . -92.59 161.62 31.69 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-N 115.832 -0.622 . . . . 15.0 110.841 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.452 ' HD2' ' HB1' ' A' ' 22' ' ' ALA . 42.3 Cg_endo -67.67 5.85 0.9 Allowed 'Trans proline' 0 C--N 1.351 0.695 0 C-N-CA 122.923 2.415 . . . . 15.0 112.478 176.768 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.51 ' HB3' ' HB3' ' A' ' 26' ' ' ARG . 64.1 t30 -80.93 4.09 20.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.721 -0.672 . . . . 15.0 109.787 176.505 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 63.1 33.28 86.83 Favored Glycine 0 CA--C 1.505 -0.564 0 N-CA-C 109.277 -1.529 . . . . 15.0 109.277 -170.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.705 ' HG2' ' CE3' ' A' ' 39' ' ' TRP . 8.7 tpt180 -142.92 130.73 11.15 Favored Pre-proline 0 N--CA 1.443 -0.776 0 CA-C-N 114.06 -1.07 . . . . 15.0 110.236 -168.343 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 26' ' ' ARG . 8.1 Cg_endo -89.76 124.38 1.27 Allowed 'Trans proline' 0 N--CA 1.453 -0.896 0 C-N-CA 122.178 1.919 . . . . 15.0 111.284 170.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 46.9 p90 -100.31 136.94 39.43 Favored 'General case' 0 N--CA 1.448 -0.531 0 N-CA-C 109.627 -0.509 . . . . 15.0 109.627 177.473 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.482 ' HB2' HG23 ' A' ' 38' ' ' THR . 80.8 m-85 -89.49 133.45 34.56 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.582 -0.735 . . . . 15.0 110.179 -175.199 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.881 ' HB ' ' HE2' ' B' ' 117' ' ' TYR . 15.1 pt -136.02 127.5 44.14 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.643 0 N-CA-C 114.756 1.391 . . . . 15.0 114.756 -174.211 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.64 ' HB2' ' CE2' ' A' ' 17' ' ' TRP . 11.2 t70 -98.03 129.56 44.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 114.936 -1.029 . . . . 15.0 111.0 -179.124 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.425 ' HE1' ' OE1' ' B' ' 119' ' ' GLU . 93.7 m-70 -87.07 -17.6 32.51 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.196 -0.456 . . . . 15.0 111.164 -179.205 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 43.6 m-80 -71.91 -59.07 2.94 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.069 0.461 . . . . 15.0 110.799 -175.766 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -100.36 0.49 40.07 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.773 -0.649 . . . . 15.0 111.719 -171.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.409 ' HA ' ' CD1' ' B' ' 117' ' ' TYR . 47.7 mmtm 57.71 81.12 0.15 Allowed 'General case' 0 C--O 1.232 0.143 0 CA-C-O 120.998 0.428 . . . . 15.0 110.237 -174.614 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 28.0 m -149.73 145.41 26.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.346 -0.388 . . . . 15.0 111.363 -175.079 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.687 HG21 ' HG2' ' B' ' 115' ' ' PRO . 25.6 m -124.81 140.16 53.18 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 116.07 -0.514 . . . . 15.0 110.3 179.368 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.532 HG22 ' CZ3' ' A' ' 17' ' ' TRP . 5.2 t -147.3 139.82 24.73 Favored 'General case' 0 C--O 1.223 -0.315 0 CA-C-O 120.796 0.332 . . . . 15.0 110.882 177.056 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.705 ' CE3' ' HG2' ' A' ' 26' ' ' ARG . 74.7 m95 -87.49 -15.1 38.55 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.725 -0.472 . . . . 15.0 109.725 175.821 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 57.1 mm-40 -94.5 132.86 38.74 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.459 -0.791 . . . . 15.0 109.665 176.802 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.57 ' HB3' HD23 ' A' ' 44' ' ' LEU . 11.5 t0 -57.39 120.07 37.22 Favored Pre-proline 0 C--N 1.326 -0.417 0 O-C-N 123.614 0.571 . . . . 15.0 110.337 -179.505 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.917 ' HB2' ' HG2' ' A' ' 14' ' ' PRO . 45.9 Cg_exo -58.63 -10.04 8.42 Favored 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 122.979 2.453 . . . . 15.0 114.126 -177.673 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.774 ' HG3' ' HD3' ' A' ' 14' ' ' PRO . 63.0 mtm180 -72.67 -20.56 61.22 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.752 -0.379 . . . . 15.0 110.544 175.874 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.57 HD23 ' HB3' ' A' ' 41' ' ' ASP . 3.9 mm? -79.65 -10.39 59.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.214 0.531 . . . . 15.0 110.274 176.208 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.501 ' O ' ' HD2' ' A' ' 45' ' ' LYS . 0.1 OUTLIER -85.45 -14.61 45.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.375 -0.83 . . . . 15.0 109.309 179.286 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 56.0 mt . . . . . 0 C--O 1.247 0.936 0 CA-C-O 118.675 -0.678 . . . . 15.0 110.12 -179.814 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 50.7 m . . . . . 0 N--CA 1.473 0.703 0 CA-C-O 120.977 0.418 . . . . 15.0 110.261 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 113' ' ' ALA . . . . . . . . . . . . . . . -150.39 160.86 32.21 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 115.674 -0.693 . . . . 15.0 109.813 -178.401 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 114' ' ' PRO . . . . . 0.45 ' HA ' ' HD2' ' B' ' 115' ' ' PRO . 50.0 Cg_exo -56.66 124.66 16.79 Favored 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 122.451 2.101 . . . . 15.0 112.266 176.493 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 115' ' ' PRO . . . . . 0.687 ' HG2' HG21 ' A' ' 37' ' ' THR . 21.2 Cg_endo -61.15 132.7 42.89 Favored 'Trans proline' 0 C--O 1.237 0.431 0 C-N-CA 122.878 2.385 . . . . 15.0 112.308 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 116' ' ' GLU . . . . . 0.472 ' H ' ' CD ' ' B' ' 116' ' ' GLU . 1.2 pm0 -63.22 119.87 10.44 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.083 -0.71 . . . . 15.0 109.083 176.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 117' ' ' TYR . . . . . 0.881 ' HE2' ' HB ' ' A' ' 30' ' ' ILE . 36.7 t80 -90.23 129.0 36.54 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 112.952 0.723 . . . . 15.0 112.952 -168.174 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 118' ' ' MET . . . . . 0.409 ' O ' ' HG3' ' B' ' 118' ' ' MET . 14.8 ptm -162.46 103.65 1.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.904 -1.044 . . . . 15.0 108.718 165.451 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 119' ' ' GLU . . . . . 0.425 ' OE1' ' HE1' ' A' ' 32' ' ' HIS . 0.5 OUTLIER -156.87 111.15 2.72 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.136 -0.69 . . . . 15.0 109.136 -175.117 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.281 -0.866 . . . . 15.0 110.839 -177.161 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 43.8 p90 . . . . . 0 N--CA 1.476 0.856 0 N-CA-C 110.321 -0.251 . . . . 15.0 110.321 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.2 pp -123.39 154.99 66.01 Favored Pre-proline 0 C--N 1.322 -0.597 0 N-CA-C 110.004 -0.369 . . . . 15.0 110.004 169.518 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.413 ' HB2' ' CD1' ' A' ' 17' ' ' TRP . 10.4 Cg_exo -44.31 127.48 7.3 Favored 'Trans proline' 0 N--CA 1.463 -0.291 0 C-N-CA 123.418 2.745 . . . . 15.0 111.845 176.132 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.665 ' HA ' ' HE3' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -74.52 10.52 1.3 Allowed 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.965 0.728 . . . . 15.0 112.965 -171.334 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.596 ' O ' ' HA ' ' A' ' 31' ' ' ASP . . . -101.38 -14.9 29.08 Favored Glycine 0 N--CA 1.444 -0.801 0 C-N-CA 120.377 -0.916 . . . . 15.0 111.445 172.869 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.718 ' CE2' ' HB2' ' A' ' 31' ' ' ASP . 75.8 m95 -105.64 131.82 52.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.318 0.58 . . . . 15.0 111.989 -171.499 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -109.27 149.68 29.07 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.158 -0.928 . . . . 15.0 109.097 174.551 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 20.5 t -103.25 105.39 18.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 120.869 0.366 . . . . 15.0 110.291 -178.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.439 ' HD2' ' CZ ' ' A' ' 28' ' ' PHE . 40.4 ttm180 -109.9 127.39 54.7 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.993 -0.373 . . . . 15.0 109.993 179.71 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.652 ' HA ' ' HA ' ' A' ' 27' ' ' PRO . 35.8 t-80 -89.85 119.84 30.58 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.052 0.453 . . . . 15.0 110.266 -176.079 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.404 ' C ' ' H ' ' A' ' 24' ' ' ASN . . . -98.5 163.74 18.46 Favored Pre-proline 0 C--N 1.322 -0.621 0 CA-C-N 115.64 -0.709 . . . . 15.0 110.978 -176.48 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_exo -67.33 10.64 0.24 Allowed 'Trans proline' 0 C--N 1.35 0.617 0 C-N-CA 123.311 2.674 . . . . 15.0 112.752 177.108 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.404 ' H ' ' C ' ' A' ' 22' ' ' ALA . 5.9 m-20 -80.1 6.52 11.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 15.0 110.321 174.686 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 62.29 25.73 66.99 Favored Glycine 0 N--CA 1.446 -0.665 0 N-CA-C 109.773 -1.331 . . . . 15.0 109.773 -168.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.586 ' HG2' ' HE3' ' A' ' 39' ' ' TRP . 47.3 ttt180 -149.66 135.95 10.47 Favored Pre-proline 0 N--CA 1.441 -0.889 0 CA-C-N 114.63 -0.785 . . . . 15.0 110.873 -168.897 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.652 ' HA ' ' HA ' ' A' ' 21' ' ' HIS . 32.4 Cg_endo -89.87 127.73 1.57 Allowed 'Trans proline' 0 N--CA 1.454 -0.836 0 C-N-CA 122.554 2.169 . . . . 15.0 111.836 173.51 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.439 ' CZ ' ' HD2' ' A' ' 20' ' ' ARG . 2.6 p90 -99.09 146.52 26.0 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-O 121.298 0.57 . . . . 15.0 109.955 176.248 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -96.03 135.47 37.76 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 115.41 -0.813 . . . . 15.0 109.641 -178.567 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.802 ' HB ' ' CE2' ' B' ' 117' ' ' TYR . 18.0 pt -136.67 121.36 25.33 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.576 0 N-CA-C 114.448 1.277 . . . . 15.0 114.448 -174.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.718 ' HB2' ' CE2' ' A' ' 17' ' ' TRP . 8.5 t70 -90.1 131.49 35.93 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.706 -0.679 . . . . 15.0 110.8 178.668 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 49.6 m-70 -92.72 -10.88 35.51 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 113.738 1.014 . . . . 15.0 113.738 -173.573 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -108.68 -13.02 14.87 Favored 'General case' 0 N--CA 1.465 0.325 0 C-N-CA 119.677 -0.809 . . . . 15.0 111.946 -175.807 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.7 m -118.3 -8.39 10.58 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.108 -0.496 . . . . 15.0 110.634 178.325 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.526 ' HA ' ' CE1' ' B' ' 117' ' ' TYR . 14.2 mptt 56.02 78.13 0.21 Allowed 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 115.734 -0.666 . . . . 15.0 111.932 -177.869 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.2 p -149.94 150.2 31.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.028 -0.533 . . . . 15.0 111.431 -178.138 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 35.8 m -131.48 134.52 46.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.048 -0.524 . . . . 15.0 110.387 177.397 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.552 HG22 ' CZ3' ' A' ' 17' ' ' TRP . 8.8 t -138.48 149.21 45.19 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.843 0.354 . . . . 15.0 110.259 176.541 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.586 ' HE3' ' HG2' ' A' ' 26' ' ' ARG . 86.0 m95 -95.65 -7.17 38.31 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.149 0.499 . . . . 15.0 109.918 179.715 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -102.37 132.66 48.22 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.744 -0.662 . . . . 15.0 109.745 176.14 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.483 ' OD2' ' HD3' ' A' ' 43' ' ' ARG . 67.4 t0 -56.35 116.94 14.12 Favored Pre-proline 0 C--N 1.323 -0.557 0 CA-C-N 115.679 -0.692 . . . . 15.0 111.619 -176.475 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -60.1 -10.27 12.26 Favored 'Trans proline' 0 C--N 1.352 0.748 0 C-N-CA 122.993 2.462 . . . . 15.0 113.654 179.372 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.483 ' HD3' ' OD2' ' A' ' 41' ' ' ASP . 37.1 mtp-105 -64.58 -20.83 66.48 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.969 0.414 . . . . 15.0 110.526 175.574 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 88.5 mt -80.19 -15.29 57.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.008 -0.542 . . . . 15.0 110.883 179.509 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -91.61 -6.31 52.49 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.291 -0.413 . . . . 15.0 111.503 -175.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 11.4 tt . . . . . 0 C--O 1.251 1.165 0 CA-C-N 116.438 -0.346 . . . . 15.0 110.32 -179.822 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 9.2 m . . . . . 0 N--CA 1.472 0.631 0 CA-C-O 120.958 0.409 . . . . 15.0 109.998 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 113' ' ' ALA . . . . . . . . . . . . . . . -158.1 160.64 29.72 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 115.982 -0.554 . . . . 15.0 109.801 -177.339 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 114' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_exo -57.58 125.75 19.72 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.596 2.197 . . . . 15.0 112.289 176.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 115' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -71.55 139.86 35.11 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.761 2.307 . . . . 15.0 111.623 177.728 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.0 122.49 16.17 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.589 -0.523 . . . . 15.0 109.589 177.577 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 117' ' ' TYR . . . . . 0.802 ' CE2' ' HB ' ' A' ' 30' ' ' ILE . 38.8 t80 -96.5 121.29 38.16 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.095 0.474 . . . . 15.0 112.036 -170.033 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 118' ' ' MET . . . . . . . . . . . . . 14.5 tpt -152.38 48.87 0.76 Allowed 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 123.05 1.405 . . . . 15.0 108.565 170.624 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 119' ' ' GLU . . . . . 0.598 ' HB2' ' CZ ' ' B' ' 117' ' ' TYR . 9.8 mm-40 -90.66 120.35 31.65 Favored 'General case' 0 C--N 1.307 -1.268 0 CA-C-N 112.685 -2.052 . . . . 15.0 109.745 -179.099 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.647 -0.692 . . . . 15.0 110.089 176.7 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 45.2 p90 . . . . . 0 N--CA 1.48 1.049 0 CA-C-O 120.912 0.387 . . . . 15.0 110.468 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.5 HD13 ' N ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -154.48 158.61 32.32 Favored Pre-proline 0 C--N 1.326 -0.414 0 CA-C-N 116.114 -0.494 . . . . 15.0 110.791 177.111 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.858 ' HD3' ' HD3' ' A' ' 43' ' ' ARG . 58.9 Cg_exo -41.19 150.3 0.16 Allowed 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 124.513 3.475 . . . . 15.0 114.681 179.475 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 23.3 ttmm -69.34 -22.45 63.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.286 -0.87 . . . . 15.0 110.5 177.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -82.55 -22.77 57.81 Favored Glycine 0 N--CA 1.447 -0.611 0 CA-C-N 115.684 -0.689 . . . . 15.0 112.882 -178.521 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.689 ' CE2' ' HB2' ' A' ' 31' ' ' ASP . 77.0 m95 -103.48 133.3 48.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.103 0.478 . . . . 15.0 110.6 -178.895 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -114.02 149.58 35.18 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 109.125 -0.695 . . . . 15.0 109.125 176.138 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 21.8 t -105.09 96.77 4.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-O 120.789 0.328 . . . . 15.0 110.377 -178.218 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 40.5 ttm180 -104.5 146.2 29.21 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.584 -0.524 . . . . 15.0 109.584 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.473 ' HA ' ' HA ' ' A' ' 27' ' ' PRO . 12.1 t-80 -96.18 128.26 42.93 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 120.84 -0.344 . . . . 15.0 110.21 -179.73 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.484 ' HB1' ' HD2' ' A' ' 23' ' ' PRO . . . -104.18 162.98 18.25 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-N 116.087 -0.506 . . . . 15.0 110.805 -179.05 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.484 ' HD2' ' HB1' ' A' ' 22' ' ' ALA . 36.8 Cg_endo -66.22 6.15 0.56 Allowed 'Trans proline' 0 C--N 1.352 0.748 0 C-N-CA 123.105 2.536 . . . . 15.0 112.453 175.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.536 ' OD1' ' HA ' ' B' ' 112' ' ' THR . 39.9 m-80 -79.81 11.34 3.31 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.602 -0.726 . . . . 15.0 110.553 176.528 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 57.98 34.15 71.3 Favored Glycine 0 CA--C 1.504 -0.628 0 N-CA-C 109.886 -1.286 . . . . 15.0 109.886 -173.363 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.545 ' HG2' ' CE3' ' A' ' 39' ' ' TRP . 9.1 ttt180 -155.05 142.63 13.99 Favored Pre-proline 0 N--CA 1.441 -0.891 0 CA-C-N 114.824 -0.688 . . . . 15.0 111.04 -167.703 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.473 ' HA ' ' HA ' ' A' ' 21' ' ' HIS . 1.9 Cg_endo -89.4 132.15 2.14 Favored 'Trans proline' 0 N--CA 1.459 -0.556 0 C-N-CA 122.592 2.195 . . . . 15.0 111.301 169.455 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.457 ' CE1' ' HB2' ' A' ' 22' ' ' ALA . 8.4 p90 -112.9 138.52 49.64 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.962 -0.563 . . . . 15.0 109.777 -179.839 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.409 ' O ' ' HA ' ' A' ' 37' ' ' THR . 89.4 m-85 -89.65 136.9 32.76 Favored 'General case' 0 CA--C 1.509 -0.619 0 CA-C-N 115.812 -0.631 . . . . 15.0 109.635 -177.12 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 1.029 ' HB ' ' HE2' ' B' ' 117' ' ' TYR . 21.2 pt -136.85 124.34 32.04 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.501 0 N-CA-C 115.286 1.587 . . . . 15.0 115.286 -173.638 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.689 ' HB2' ' CE2' ' A' ' 17' ' ' TRP . 14.7 t70 -94.07 125.61 38.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 114.676 -1.147 . . . . 15.0 110.828 179.276 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 -85.13 -7.03 59.26 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.318 -0.401 . . . . 15.0 111.672 -178.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 48.8 m-80 -83.33 -40.19 19.79 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 111.924 0.342 . . . . 15.0 111.924 -171.799 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.3 m -122.52 6.85 9.51 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.642 -0.254 . . . . 15.0 111.432 -175.123 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.492 ' HA ' ' CD1' ' B' ' 117' ' ' TYR . 38.3 mmtm 59.54 73.48 0.48 Allowed 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 116.456 -0.338 . . . . 15.0 110.378 -172.597 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -137.29 150.12 47.56 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.649 -0.25 . . . . 15.0 110.997 -175.59 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.409 ' HA ' ' O ' ' A' ' 29' ' ' PHE . 9.3 t -142.06 145.45 34.36 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.778 0.323 . . . . 15.0 110.631 178.199 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.402 ' OG1' ' HB2' ' A' ' 29' ' ' PHE . 80.8 p -135.56 145.21 46.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.363 -0.381 . . . . 15.0 110.919 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.545 ' CE3' ' HG2' ' A' ' 26' ' ' ARG . 97.9 m95 -88.94 -12.87 40.4 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.599 0.714 . . . . 15.0 109.273 172.786 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -107.69 140.84 40.12 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 114.809 -1.087 . . . . 15.0 109.499 178.675 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -65.91 117.09 38.81 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-N 116.609 -0.269 . . . . 15.0 110.499 176.16 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -69.3 -9.99 27.73 Favored 'Trans proline' 0 C--O 1.218 -0.484 0 C-N-CA 122.405 2.07 . . . . 15.0 113.031 179.42 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.858 ' HD3' ' HD3' ' A' ' 14' ' ' PRO . 13.4 mmm180 -74.53 -9.8 58.93 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.278 0.561 . . . . 15.0 110.458 178.174 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 91.8 mt -76.51 -12.75 60.08 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 115.351 -0.84 . . . . 15.0 110.271 168.633 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.449 ' O ' ' HB ' ' A' ' 46' ' ' ILE . 97.6 mttt -129.68 126.06 37.44 Favored 'General case' 0 CA--C 1.526 0.053 0 C-N-CA 120.749 -0.38 . . . . 15.0 111.565 -178.16 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.449 ' HB ' ' O ' ' A' ' 45' ' ' LYS . 50.5 mm . . . . . 0 C--O 1.249 1.078 0 CA-C-N 115.873 -0.603 . . . . 15.0 110.235 -177.444 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 112' ' ' THR . . . . . 0.536 ' HA ' ' OD1' ' A' ' 24' ' ' ASN . 11.7 p . . . . . 0 N--CA 1.477 0.879 0 CA-C-O 120.606 0.241 . . . . 15.0 110.404 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 113' ' ' ALA . . . . . . . . . . . . . . . -140.53 135.87 16.18 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.583 -0.281 . . . . 15.0 110.852 -178.229 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 114' ' ' PRO . . . . . 0.528 ' HA ' ' HD3' ' B' ' 115' ' ' PRO . 30.2 Cg_endo -63.42 128.76 23.32 Favored 'Trans proline' 0 C--O 1.234 0.296 0 C-N-CA 122.905 2.404 . . . . 15.0 112.245 178.524 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 115' ' ' PRO . . . . . 0.528 ' HD3' ' HA ' ' B' ' 114' ' ' PRO . 3.5 Cg_exo -80.68 136.51 10.85 Favored 'Trans proline' 0 N--CA 1.46 -0.458 0 C-N-CA 123.09 2.526 . . . . 15.0 112.166 -179.017 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -66.27 122.96 18.65 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.422 -0.584 . . . . 15.0 109.422 173.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 117' ' ' TYR . . . . . 1.029 ' HE2' ' HB ' ' A' ' 30' ' ' ILE . 18.8 t80 -88.12 121.13 30.16 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 120.293 -0.563 . . . . 15.0 111.797 -172.656 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 118' ' ' MET . . . . . . . . . . . . . 56.9 ttp -155.19 88.38 1.16 Allowed 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.271 -0.877 . . . . 15.0 109.279 165.681 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 68.7 mm-40 -128.82 105.56 8.32 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 114.603 -1.18 . . . . 15.0 110.242 -176.772 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.876 0 CA-C-O 118.403 -0.808 . . . . 15.0 110.291 178.871 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 25.8 p90 . . . . . 0 N--CA 1.479 1.001 0 CA-C-O 121.011 0.434 . . . . 15.0 110.36 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.876 HD11 ' HB ' ' A' ' 19' ' ' VAL . 61.3 mt -131.4 161.39 62.32 Favored Pre-proline 0 C--N 1.323 -0.545 0 CA-C-N 116.574 -0.285 . . . . 15.0 110.366 -179.667 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.812 ' HG2' ' HB2' ' A' ' 42' ' ' PRO . 19.4 Cg_exo -40.68 128.44 2.59 Favored 'Trans proline' 0 N--CA 1.463 -0.279 0 C-N-CA 123.42 2.747 . . . . 15.0 111.966 167.367 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.7 tppp? -52.76 111.32 0.64 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.945 0.402 . . . . 15.0 111.004 -178.199 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 123.25 -19.58 7.65 Favored Glycine 0 N--CA 1.446 -0.668 0 CA-C-N 115.699 -0.682 . . . . 15.0 111.612 -178.741 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.655 ' HA ' ' O ' ' A' ' 30' ' ' ILE . 75.1 m95 -100.91 129.63 46.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.331 0.586 . . . . 15.0 111.239 179.493 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.44 ' O ' HG12 ' A' ' 30' ' ' ILE . 21.3 mt-10 -108.05 150.11 27.58 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.006 -0.997 . . . . 15.0 109.473 175.099 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.876 ' HB ' HD11 ' A' ' 13' ' ' LEU . 8.9 p -108.47 118.01 55.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 C-N-CA 120.063 -0.655 . . . . 15.0 110.784 177.728 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.551 ' HD2' ' CZ ' ' A' ' 28' ' ' PHE . 9.1 ttm180 -118.08 136.8 53.35 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.037 -0.727 . . . . 15.0 109.037 176.696 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 5.3 t-80 -90.13 123.7 34.19 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 120.619 -0.432 . . . . 15.0 110.07 -178.494 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.49 ' HB1' ' HD2' ' A' ' 23' ' ' PRO . . . -86.81 176.41 3.55 Favored Pre-proline 0 C--N 1.323 -0.575 0 CA-C-N 115.604 -0.725 . . . . 15.0 110.852 -177.842 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.49 ' HD2' ' HB1' ' A' ' 22' ' ' ALA . 32.9 Cg_exo -59.5 -23.0 68.96 Favored 'Trans proline' 0 C--N 1.355 0.872 0 C-N-CA 122.057 1.838 . . . . 15.0 110.912 168.869 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.403 ' C ' ' H ' ' A' ' 26' ' ' ARG . 42.2 m-80 -60.35 145.58 47.29 Favored 'General case' 0 CA--C 1.515 -0.368 0 CA-C-N 114.937 -1.029 . . . . 15.0 109.957 169.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.88 46.49 1.17 Allowed Glycine 0 N--CA 1.453 -0.226 0 N-CA-C 110.112 -1.195 . . . . 15.0 110.112 170.41 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.566 ' HG2' ' HE3' ' A' ' 39' ' ' TRP . 44.6 ttt180 -158.28 131.99 4.9 Favored Pre-proline 0 N--CA 1.44 -0.971 0 CA-C-N 114.426 -0.887 . . . . 15.0 109.502 -168.879 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 26' ' ' ARG . 8.4 Cg_endo -89.45 131.44 2.05 Favored 'Trans proline' 0 N--CA 1.456 -0.724 0 C-N-CA 122.373 2.049 . . . . 15.0 111.617 172.686 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.551 ' CZ ' ' HD2' ' A' ' 20' ' ' ARG . 7.4 p90 -94.55 145.83 24.53 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.269 -0.573 . . . . 15.0 109.885 177.291 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -96.82 133.52 41.31 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.511 -0.768 . . . . 15.0 109.671 -178.383 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.655 ' O ' ' HA ' ' A' ' 17' ' ' TRP . 7.2 pt -132.35 123.78 50.75 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.539 0 N-CA-C 115.287 1.588 . . . . 15.0 115.287 -173.422 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.602 ' HB2' ' CE2' ' A' ' 17' ' ' TRP . 8.1 t70 -90.14 128.21 36.28 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 114.437 -1.256 . . . . 15.0 110.258 176.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 55.6 m-70 -91.68 -2.02 57.2 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.18 0.437 . . . . 15.0 112.18 -178.31 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 49.7 m-80 -81.34 -44.43 17.64 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.733 0.302 . . . . 15.0 110.375 -176.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 13.4 t -121.92 -0.19 9.6 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.188 -0.46 . . . . 15.0 110.782 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.83 ' HD3' ' HA ' ' B' ' 118' ' ' MET . 61.0 mttp 55.21 89.82 0.03 OUTLIER 'General case' 0 CA--C 1.526 0.055 0 CA-C-N 115.635 -0.711 . . . . 15.0 112.138 -176.301 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 39.1 m -146.46 134.03 20.95 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.58 -0.737 . . . . 15.0 110.693 176.56 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.771 HG21 ' HG2' ' B' ' 115' ' ' PRO . 37.8 p -96.87 129.07 44.37 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.456 -0.338 . . . . 15.0 111.277 178.448 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 68.7 p -122.56 135.59 54.67 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.884 -0.413 . . . . 15.0 109.884 174.301 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.566 ' HE3' ' HG2' ' A' ' 26' ' ' ARG . 97.1 m95 -87.72 -11.73 47.36 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.451 0.643 . . . . 15.0 109.305 174.655 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.7 mp0 -95.74 131.21 42.26 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.967 -1.015 . . . . 15.0 109.272 174.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -62.11 122.34 71.84 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 116.411 -0.359 . . . . 15.0 110.194 179.208 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.812 ' HB2' ' HG2' ' A' ' 14' ' ' PRO . 52.9 Cg_exo -56.81 -18.14 26.13 Favored 'Trans proline' 0 CA--C 1.535 0.544 0 C-N-CA 123.063 2.508 . . . . 15.0 114.463 -176.661 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 27.1 mtp180 -80.22 -19.46 46.89 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.801 -0.36 . . . . 15.0 110.741 178.505 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 92.9 mt -80.41 -11.53 59.68 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.288 -0.414 . . . . 15.0 110.914 178.445 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.405 ' HD3' ' HA ' ' A' ' 45' ' ' LYS . 25.9 mmtp -101.04 108.26 19.92 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.262 0.553 . . . . 15.0 111.027 179.181 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 5.8 tt . . . . . 0 C--O 1.25 1.102 0 CA-C-N 115.411 -0.813 . . . . 15.0 109.48 176.991 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 7.5 t . . . . . 0 N--CA 1.477 0.919 0 CA-C-O 120.811 0.339 . . . . 15.0 110.47 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 113' ' ' ALA . . . . . 0.788 ' HB3' ' HD3' ' B' ' 114' ' ' PRO . . . -65.89 -55.09 24.04 Favored Pre-proline 0 CA--C 1.534 0.354 0 CA-C-N 116.317 -0.401 . . . . 15.0 110.849 177.692 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 114' ' ' PRO . . . . . 0.788 ' HD3' ' HB3' ' B' ' 113' ' ' ALA . 2.0 Cg_endo -83.73 120.04 2.68 Favored 'Trans proline' 0 C--N 1.353 0.776 0 C-N-CA 122.386 2.057 . . . . 15.0 111.272 173.405 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 115' ' ' PRO . . . . . 0.771 ' HG2' HG21 ' A' ' 37' ' ' THR . 41.0 Cg_endo -68.97 143.99 56.64 Favored 'Trans proline' 0 C--O 1.236 0.378 0 C-N-CA 122.623 2.215 . . . . 15.0 111.999 179.003 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 116' ' ' GLU . . . . . 0.502 ' CD ' ' H ' ' B' ' 116' ' ' GLU . 1.4 pm0 -66.62 120.0 12.7 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.639 -0.504 . . . . 15.0 109.639 178.011 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 117' ' ' TYR . . . . . 0.636 ' CE2' ' HB ' ' A' ' 30' ' ' ILE . 1.0 OUTLIER -103.96 120.26 40.67 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.283 0.563 . . . . 15.0 112.244 -168.443 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 118' ' ' MET . . . . . 0.83 ' HA ' ' HD3' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -162.23 95.45 0.94 Allowed 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 115.251 -0.886 . . . . 15.0 109.632 165.451 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 119' ' ' GLU . . . . . 0.405 ' OE1' HD12 ' A' ' 30' ' ' ILE . 49.3 mt-10 -105.91 -87.37 0.46 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.438 0.637 . . . . 15.0 109.339 177.053 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.883 0 CA-C-N 114.916 -1.038 . . . . 15.0 108.47 176.348 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 37.5 p90 . . . . . 0 N--CA 1.484 1.242 0 CA-C-O 120.83 0.348 . . . . 15.0 111.076 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.595 HD23 ' H ' ' A' ' 13' ' ' LEU . 1.1 pt? -114.5 144.02 31.02 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-O 120.603 0.24 . . . . 15.0 111.02 -175.541 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.441 ' HG2' ' HB2' ' A' ' 42' ' ' PRO . 1.4 Cg_exo -33.15 131.57 0.11 Allowed 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 125.202 3.934 . . . . 15.0 114.942 176.163 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.3 tmmm? -62.07 118.7 7.67 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.032 -0.729 . . . . 15.0 109.032 172.114 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 121.49 -13.22 9.45 Favored Glycine 0 N--CA 1.446 -0.666 0 N-CA-C 111.349 -0.7 . . . . 15.0 111.349 -176.455 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.501 ' HA ' ' O ' ' A' ' 30' ' ' ILE . 73.1 m95 -108.92 121.95 46.19 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.419 0.628 . . . . 15.0 110.548 176.88 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.68 ' HB2' HG13 ' A' ' 30' ' ' ILE . 0.4 OUTLIER -89.96 150.09 22.3 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 114.572 -1.194 . . . . 15.0 110.276 178.497 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 10.3 p -100.64 106.59 19.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 122.255 1.026 . . . . 15.0 109.995 171.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.49 ' HB3' ' CE1' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -105.03 121.14 43.16 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 114.6 -1.182 . . . . 15.0 109.21 -177.971 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.427 ' HA ' ' HA ' ' A' ' 27' ' ' PRO . 9.0 t-80 -90.17 120.41 31.32 Favored 'General case' 0 C--N 1.317 -0.841 0 C-N-CA 120.105 -0.638 . . . . 15.0 110.728 -176.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.445 ' C ' ' H ' ' A' ' 24' ' ' ASN . . . -98.37 161.19 26.11 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-N 116.115 -0.493 . . . . 15.0 110.854 -179.495 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -68.58 14.1 0.2 Allowed 'Trans proline' 0 C--N 1.349 0.582 0 C-N-CA 123.107 2.538 . . . . 15.0 112.459 174.627 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.63 ' OD1' ' HA ' ' B' ' 112' ' ' THR . 43.1 m-80 -84.05 8.61 14.84 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.537 -0.756 . . . . 15.0 109.896 174.717 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 60.15 27.77 65.59 Favored Glycine 0 CA--C 1.505 -0.59 0 N-CA-C 109.702 -1.359 . . . . 15.0 109.702 -171.113 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.595 ' HG2' ' HE3' ' A' ' 39' ' ' TRP . 55.7 ttt180 -150.08 137.74 11.77 Favored Pre-proline 0 N--CA 1.44 -0.934 0 CA-C-N 114.866 -0.667 . . . . 15.0 110.577 -168.403 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.427 ' HA ' ' HA ' ' A' ' 21' ' ' HIS . 10.0 Cg_endo -89.51 125.73 1.47 Allowed 'Trans proline' 0 N--CA 1.454 -0.84 0 C-N-CA 122.479 2.12 . . . . 15.0 112.19 172.612 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.49 ' CE1' ' HB3' ' A' ' 20' ' ' ARG . 27.0 p90 -97.74 140.09 32.64 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.148 -0.686 . . . . 15.0 109.148 175.543 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -90.05 137.48 32.31 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.979 -0.555 . . . . 15.0 110.126 -174.5 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.68 HG13 ' HB2' ' A' ' 18' ' ' GLU . 3.6 pt -132.95 123.98 49.41 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.583 0 N-CA-C 116.758 2.133 . . . . 15.0 116.758 -171.006 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.08 130.96 36.18 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 114.098 -1.41 . . . . 15.0 109.54 172.641 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 45.1 m-70 -99.56 -1.9 37.1 Favored 'General case' 0 C--N 1.317 -0.812 0 C-N-CA 120.648 -0.421 . . . . 15.0 111.85 -178.347 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 37.0 m-80 -78.9 -42.5 27.01 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 120.729 0.3 . . . . 15.0 111.053 -176.101 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.7 t -127.44 11.78 6.89 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.658 0.266 . . . . 15.0 110.685 179.624 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.463 ' HD2' ' CE1' ' B' ' 117' ' ' TYR . 47.5 mmtm 54.13 72.58 0.44 Allowed 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 115.716 -0.675 . . . . 15.0 111.738 -177.781 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 15.9 p -135.2 147.53 49.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.936 -0.575 . . . . 15.0 110.493 175.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.1 t -136.52 150.09 48.47 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.722 0.296 . . . . 15.0 111.291 -174.348 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -143.65 149.97 38.06 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.356 -0.609 . . . . 15.0 109.356 177.656 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.595 ' HE3' ' HG2' ' A' ' 26' ' ' ARG . 83.8 m95 -97.4 -10.5 25.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.861 0.362 . . . . 15.0 111.132 -177.257 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 20.4 mp0 -78.34 -93.94 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.877 -0.601 . . . . 15.0 109.819 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.496 ' O ' ' HG ' ' A' ' 44' ' ' LEU . 6.5 p-10 -177.02 122.82 0.28 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 115.714 -0.676 . . . . 15.0 109.244 173.054 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.441 ' HB2' ' HG2' ' A' ' 14' ' ' PRO . 12.1 Cg_endo -56.56 -9.47 3.86 Favored 'Trans proline' 0 C--O 1.22 -0.376 0 C-N-CA 123.692 2.928 . . . . 15.0 114.738 -177.146 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 86.1 mtm180 -57.65 -20.14 31.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 118.037 0.38 . . . . 15.0 110.84 179.324 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.496 ' HG ' ' O ' ' A' ' 41' ' ' ASP . 3.9 pp -80.02 -13.87 58.99 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.29 -0.414 . . . . 15.0 111.956 177.228 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 55.9 tttp -142.52 118.96 10.92 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 121.329 0.585 . . . . 15.0 112.226 -177.604 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 5.8 tp . . . . . 0 C--O 1.247 0.932 0 CA-C-N 115.411 -0.813 . . . . 15.0 109.363 175.385 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 112' ' ' THR . . . . . 0.63 ' HA ' ' OD1' ' A' ' 24' ' ' ASN . 15.0 t . . . . . 0 N--CA 1.478 0.936 0 N-CA-C 109.702 -0.481 . . . . 15.0 109.702 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 113' ' ' ALA . . . . . . . . . . . . . . . -156.41 138.97 10.49 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-O 120.787 0.327 . . . . 15.0 111.595 -177.361 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 114' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_endo -67.88 129.97 20.79 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.92 2.413 . . . . 15.0 111.963 176.546 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 115' ' ' PRO . . . . . 0.484 ' HD3' ' HZ2' ' A' ' 39' ' ' TRP . 91.1 Cg_endo -79.52 143.11 16.84 Favored 'Trans proline' 0 C--O 1.235 0.346 0 C-N-CA 122.684 2.256 . . . . 15.0 111.939 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 116' ' ' GLU . . . . . 0.457 ' CD ' ' H ' ' B' ' 116' ' ' GLU . 1.2 pm0 -66.38 120.04 12.64 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.285 -0.635 . . . . 15.0 109.285 176.344 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 117' ' ' TYR . . . . . 0.607 ' HD1' ' N ' ' B' ' 118' ' ' MET . 0.6 OUTLIER -84.49 119.89 25.68 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.295 0.569 . . . . 15.0 111.843 -170.917 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 118' ' ' MET . . . . . 0.607 ' N ' ' HD1' ' B' ' 117' ' ' TYR . 51.3 tpp -170.05 95.45 0.26 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 114.753 -1.112 . . . . 15.0 109.231 164.349 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -158.97 123.35 4.01 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.194 -0.912 . . . . 15.0 109.664 -177.557 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.93 0 CA-C-O 118.419 -0.8 . . . . 15.0 111.597 179.9 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 37.5 p90 . . . . . 0 N--CA 1.478 0.966 0 CA-C-O 121.08 0.467 . . . . 15.0 109.961 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -141.53 155.75 66.95 Favored Pre-proline 0 C--N 1.321 -0.649 0 CA-C-N 116.383 -0.371 . . . . 15.0 111.244 -177.848 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.983 ' HD3' ' HB3' ' A' ' 43' ' ' ARG . 46.8 Cg_exo -40.22 131.92 2.24 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 124.264 3.309 . . . . 15.0 113.848 175.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.634 ' HD3' ' H ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -61.58 121.43 12.73 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.829 -0.623 . . . . 15.0 110.672 176.668 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 116.97 -18.02 12.65 Favored Glycine 0 N--CA 1.447 -0.602 0 N-CA-C 111.084 -0.806 . . . . 15.0 111.084 -175.394 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.655 ' CD1' ' HB2' ' A' ' 14' ' ' PRO . 62.3 m95 -102.43 134.52 45.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.332 0.587 . . . . 15.0 110.602 179.62 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.448 ' HB2' HG13 ' A' ' 30' ' ' ILE . 53.8 mm-40 -102.23 149.62 24.12 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.076 -0.966 . . . . 15.0 109.615 174.357 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 8.9 p -104.72 127.25 59.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-O 121.417 0.627 . . . . 15.0 109.459 171.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 43.4 ttm180 -130.65 133.54 46.21 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 109.12 -0.696 . . . . 15.0 109.12 178.621 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 5.7 t-80 -89.83 116.19 27.73 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-O 120.904 0.383 . . . . 15.0 110.255 -176.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.427 ' C ' ' H ' ' A' ' 24' ' ' ASN . . . -91.81 160.51 35.99 Favored Pre-proline 0 C--N 1.322 -0.609 0 CA-C-N 115.837 -0.619 . . . . 15.0 110.532 -178.845 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_exo -62.2 2.77 0.56 Allowed 'Trans proline' 0 C--N 1.352 0.736 0 C-N-CA 123.042 2.495 . . . . 15.0 112.412 175.14 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.437 ' HB3' ' HB3' ' A' ' 26' ' ' ARG . 3.6 t-20 -71.8 -5.05 31.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.558 -0.747 . . . . 15.0 110.406 175.153 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 69.27 28.93 72.17 Favored Glycine 0 N--CA 1.446 -0.69 0 N-CA-C 109.278 -1.529 . . . . 15.0 109.278 -170.068 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.515 ' HG2' ' HE3' ' A' ' 39' ' ' TRP . 36.7 ttt180 -149.39 139.37 13.27 Favored Pre-proline 0 N--CA 1.44 -0.93 0 CA-C-N 114.55 -0.825 . . . . 15.0 110.835 -169.273 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 26' ' ' ARG . 9.8 Cg_endo -89.52 126.15 1.51 Allowed 'Trans proline' 0 N--CA 1.453 -0.889 0 C-N-CA 122.485 2.123 . . . . 15.0 111.589 172.42 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 12.7 p90 -103.2 137.58 41.16 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.779 -0.452 . . . . 15.0 109.779 178.654 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -89.65 135.7 33.46 Favored 'General case' 0 CA--C 1.51 -0.584 0 CA-C-N 115.845 -0.616 . . . . 15.0 109.747 -175.668 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 1.059 ' HB ' ' HE2' ' B' ' 117' ' ' TYR . 19.2 pt -137.49 123.16 26.0 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.522 0 N-CA-C 115.346 1.61 . . . . 15.0 115.346 -172.816 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.604 ' HB2' ' CE2' ' A' ' 17' ' ' TRP . 8.8 t70 -90.05 126.11 35.65 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 115.087 -0.96 . . . . 15.0 110.84 178.237 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 67.9 m-70 -87.4 -14.49 40.47 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.36 -0.382 . . . . 15.0 111.197 -178.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 51.7 m-80 -72.49 -60.4 2.25 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.775 0.321 . . . . 15.0 111.185 -174.65 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 73.4 p -103.32 2.85 34.65 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.814 -0.63 . . . . 15.0 111.225 -174.497 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.401 ' HE2' ' SD ' ' B' ' 118' ' ' MET . 48.5 mmtm 60.49 76.42 0.37 Allowed 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 115.93 -0.577 . . . . 15.0 110.966 -179.062 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 14.4 t -149.95 150.39 31.78 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 116.118 -0.492 . . . . 15.0 110.684 -179.612 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.2 t -134.38 150.05 50.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.034 0.445 . . . . 15.0 111.376 -177.175 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.527 HG22 ' CZ3' ' A' ' 17' ' ' TRP . 4.4 t -145.95 142.95 29.19 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.862 -0.608 . . . . 15.0 110.547 177.686 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.515 ' HE3' ' HG2' ' A' ' 26' ' ' ARG . 85.7 m95 -86.88 -14.38 42.13 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.035 0.445 . . . . 15.0 110.1 177.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -104.84 138.44 41.09 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.569 -0.741 . . . . 15.0 109.716 178.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -52.93 115.46 7.41 Favored Pre-proline 0 N--CA 1.465 0.296 0 O-C-N 123.615 0.572 . . . . 15.0 112.033 -178.52 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.621 ' HG2' ' HG2' ' A' ' 14' ' ' PRO . 37.8 Cg_endo -71.32 -12.27 29.61 Favored 'Trans proline' 0 N--CA 1.461 -0.427 0 C-N-CA 121.605 1.537 . . . . 15.0 112.026 173.524 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.983 ' HB3' ' HD3' ' A' ' 14' ' ' PRO . 4.9 ppt_? -80.1 -16.0 55.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.349 0.595 . . . . 15.0 109.54 173.277 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.434 HD13 ' O ' ' A' ' 44' ' ' LEU . 3.2 tm? -79.93 -36.58 36.1 Favored 'General case' 0 N--CA 1.444 -0.772 0 CA-C-N 115.273 -0.876 . . . . 15.0 108.969 174.292 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.55 98.82 9.37 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 120.163 -0.615 . . . . 15.0 110.992 -177.592 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 66.7 mt . . . . . 0 C--O 1.247 0.963 0 CA-C-O 118.166 -0.921 . . . . 15.0 109.45 177.303 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 1.7 p . . . . . 0 N--CA 1.475 0.813 0 CA-C-O 121.056 0.455 . . . . 15.0 110.512 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 113' ' ' ALA . . . . . . . . . . . . . . . -131.81 129.21 21.89 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 116.132 -0.485 . . . . 15.0 110.913 -177.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 114' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -66.3 122.82 10.39 Favored 'Trans proline' 0 C--O 1.234 0.31 0 C-N-CA 122.696 2.264 . . . . 15.0 111.998 177.756 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 115' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -69.07 133.63 27.34 Favored 'Trans proline' 0 C--O 1.234 0.322 0 C-N-CA 122.777 2.318 . . . . 15.0 112.252 -179.34 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -56.72 122.37 11.96 Favored 'General case' 0 C--O 1.233 0.197 0 N-CA-C 109.26 -0.644 . . . . 15.0 109.26 173.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 117' ' ' TYR . . . . . 1.059 ' HE2' ' HB ' ' A' ' 30' ' ' ILE . 9.2 t80 -95.41 123.09 38.77 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 112.902 0.704 . . . . 15.0 112.902 -166.634 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 118' ' ' MET . . . . . 0.401 ' SD ' ' HE2' ' A' ' 35' ' ' LYS . 14.1 tpt -161.45 80.53 0.59 Allowed 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 114.835 -1.075 . . . . 15.0 108.214 162.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 40.8 mm-40 -119.01 124.77 47.79 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 114.082 -1.417 . . . . 15.0 111.235 -170.411 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.058 0 CA-C-N 115.408 -0.815 . . . . 15.0 108.893 174.08 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 69.1 t80 . . . . . 0 N--CA 1.479 0.979 0 CA-C-O 120.847 0.356 . . . . 15.0 110.836 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.648 ' HB2' ' HD2' ' A' ' 14' ' ' PRO . 1.5 pp -137.47 171.53 8.35 Favored Pre-proline 0 C--N 1.327 -0.37 0 O-C-N 122.298 -0.251 . . . . 15.0 110.749 -179.085 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.648 ' HD2' ' HB2' ' A' ' 13' ' ' LEU . 25.3 Cg_exo -40.5 136.67 1.74 Allowed 'Trans proline' 0 C--N 1.353 0.768 0 C-N-CA 123.673 2.916 . . . . 15.0 113.609 177.343 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.8 ptpp? -68.27 -13.07 61.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.274 -0.421 . . . . 15.0 111.05 -179.392 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -82.53 -20.84 61.18 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.94 -0.647 . . . . 15.0 112.155 178.089 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.567 ' HA ' ' O ' ' A' ' 30' ' ' ILE . 74.3 m95 -108.31 142.5 38.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.204 0.526 . . . . 15.0 110.344 -178.529 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -115.57 149.97 37.38 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 109.093 -0.706 . . . . 15.0 109.093 174.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.445 ' O ' HG13 ' A' ' 19' ' ' VAL . 7.5 p -103.17 91.61 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-O 121.768 0.794 . . . . 15.0 110.449 179.588 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.606 ' HD2' ' CZ ' ' A' ' 28' ' ' PHE . 11.6 ttm180 -95.24 123.6 38.84 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.858 -0.793 . . . . 15.0 108.858 179.254 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.455 ' HA ' ' HA ' ' A' ' 27' ' ' PRO . 18.6 t-80 -89.94 127.65 36.07 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.072 0.463 . . . . 15.0 110.838 -172.831 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.408 ' C ' ' H ' ' A' ' 24' ' ' ASN . . . -101.63 161.32 23.89 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 115.785 -0.643 . . . . 15.0 110.974 -178.038 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_exo -66.99 6.86 0.51 Allowed 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 123.147 2.565 . . . . 15.0 111.973 173.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.408 ' H ' ' C ' ' A' ' 22' ' ' ALA . 2.7 t-20 -74.66 0.54 14.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.756 -0.656 . . . . 15.0 110.112 175.402 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 65.17 26.37 71.51 Favored Glycine 0 N--CA 1.445 -0.723 0 N-CA-C 109.377 -1.489 . . . . 15.0 109.377 -170.731 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.558 ' HG2' ' CE3' ' A' ' 39' ' ' TRP . 15.8 ttp180 -145.51 138.89 14.36 Favored Pre-proline 0 N--CA 1.443 -0.81 0 CA-C-N 114.25 -0.975 . . . . 15.0 110.507 -171.732 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.455 ' HA ' ' HA ' ' A' ' 21' ' ' HIS . 4.9 Cg_endo -89.54 123.41 1.24 Allowed 'Trans proline' 0 N--CA 1.452 -0.967 0 C-N-CA 122.442 2.095 . . . . 15.0 111.452 169.679 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.606 ' CZ ' ' HD2' ' A' ' 20' ' ' ARG . 14.9 p90 -94.58 140.19 30.18 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 120.127 -0.629 . . . . 15.0 109.473 176.54 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.401 ' HB2' ' OG1' ' A' ' 38' ' ' THR . 78.9 m-85 -90.6 132.53 35.68 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.035 -0.53 . . . . 15.0 109.938 -177.223 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.882 ' HB ' ' HE2' ' B' ' 117' ' ' TYR . 15.2 pt -133.57 126.4 51.59 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 N-CA-C 114.644 1.35 . . . . 15.0 114.644 -175.765 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.489 ' HB2' ' CE2' ' A' ' 17' ' ' TRP . 17.0 t70 -90.28 128.47 36.43 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-N 115.205 -0.907 . . . . 15.0 110.155 178.254 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 80.4 m-70 -88.25 -12.09 44.67 Favored 'General case' 0 N--CA 1.462 0.16 0 O-C-N 124.032 0.832 . . . . 15.0 111.464 -176.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 34.1 m-80 -78.82 -33.92 45.69 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.675 0.75 . . . . 15.0 109.602 -176.125 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 41.0 m -149.76 110.78 4.35 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 114.762 -1.108 . . . . 15.0 108.236 172.48 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.574 ' HB3' ' HB3' ' B' ' 117' ' ' TYR . 61.3 mttp -34.91 98.98 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.265 0 O-C-N 124.304 1.003 . . . . 15.0 113.009 -174.582 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.407 ' O ' ' HA ' ' A' ' 30' ' ' ILE . 38.1 m -138.59 137.51 37.04 Favored 'General case' 0 CA--C 1.531 0.245 0 N-CA-C 112.103 0.409 . . . . 15.0 112.103 178.504 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.507 HG22 HG22 ' A' ' 30' ' ' ILE . 10.8 p -119.9 127.25 52.52 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.893 -0.594 . . . . 15.0 110.826 176.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.401 ' OG1' ' HB2' ' A' ' 29' ' ' PHE . 71.7 p -128.59 144.34 51.13 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 121.133 -0.227 . . . . 15.0 110.497 175.364 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.558 ' CE3' ' HG2' ' A' ' 26' ' ' ARG . 94.7 m95 -93.73 -11.28 31.79 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 108.719 -0.845 . . . . 15.0 108.719 173.489 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -108.3 138.64 44.25 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.635 -1.166 . . . . 15.0 109.603 177.227 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.438 ' OD1' ' HB2' ' A' ' 43' ' ' ARG . 12.8 t70 -63.2 123.18 79.55 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-N 116.255 -0.429 . . . . 15.0 111.446 -175.801 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -71.59 -10.08 26.1 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 123.404 2.736 . . . . 15.0 114.536 -175.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.438 ' HB2' ' OD1' ' A' ' 41' ' ' ASP . 79.6 mtm180 -65.26 -15.83 62.91 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 118.229 0.468 . . . . 15.0 110.63 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 95.3 mt -80.07 -11.77 59.74 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.955 -0.566 . . . . 15.0 110.751 174.378 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.2 tppp? -103.08 -19.28 14.61 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.06 0.457 . . . . 15.0 110.938 -178.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 14.9 pt . . . . . 0 C--O 1.25 1.095 0 CA-C-O 118.107 -0.949 . . . . 15.0 110.981 -179.302 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 39.5 m . . . . . 0 N--CA 1.475 0.786 0 CA-C-O 120.847 0.356 . . . . 15.0 110.245 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 113' ' ' ALA . . . . . . . . . . . . . . . -132.88 159.31 73.11 Favored Pre-proline 0 C--N 1.325 -0.481 0 CA-C-N 116.195 -0.457 . . . . 15.0 110.94 -176.632 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 114' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -60.16 126.19 19.54 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.639 2.226 . . . . 15.0 111.808 175.162 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 115' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -66.35 139.78 55.82 Favored 'Trans proline' 0 N--CA 1.465 -0.189 0 C-N-CA 122.662 2.242 . . . . 15.0 111.774 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 116' ' ' GLU . . . . . 0.47 ' CD ' ' H ' ' B' ' 116' ' ' GLU . 0.8 OUTLIER -67.21 120.03 13.09 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.955 0.407 . . . . 15.0 110.023 178.19 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 117' ' ' TYR . . . . . 0.882 ' HE2' ' HB ' ' A' ' 30' ' ' ILE . 0.9 OUTLIER -74.31 119.68 18.84 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.424 -0.353 . . . . 15.0 110.116 -177.36 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 118' ' ' MET . . . . . . . . . . . . . 86.4 mmm -156.13 104.71 2.28 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.445 -0.798 . . . . 15.0 109.364 173.435 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -122.49 -14.2 7.85 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 109.112 -0.699 . . . . 15.0 109.112 173.593 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.244 0.807 0 CA-C-N 114.946 -1.024 . . . . 15.0 109.323 -178.981 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 66.8 t80 . . . . . 0 N--CA 1.478 0.926 0 CA-C-O 121.019 0.438 . . . . 15.0 110.572 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.561 ' HB3' ' HD2' ' A' ' 14' ' ' PRO . 4.1 mp -145.4 177.94 1.6 Allowed Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 108.987 -0.745 . . . . 15.0 108.987 178.472 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 1.07 ' HG2' ' HG2' ' A' ' 42' ' ' PRO . 12.0 Cg_exo -43.75 -131.35 0.0 OUTLIER 'Trans proline' 0 CA--C 1.545 1.027 0 C-N-CA 123.891 3.06 . . . . 15.0 114.216 160.382 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.9 tmtm? -144.06 118.05 9.42 Favored 'General case' 0 C--N 1.329 -0.313 0 O-C-N 121.76 -0.588 . . . . 15.0 109.549 176.696 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 100.32 1.23 55.71 Favored Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 120.798 -0.715 . . . . 15.0 111.836 179.256 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.536 ' HA ' ' O ' ' A' ' 30' ' ' ILE . 89.1 m95 -104.83 125.56 51.0 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.369 0.604 . . . . 15.0 110.907 -179.486 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.548 ' HB2' HG13 ' A' ' 30' ' ' ILE . 32.9 mm-40 -97.39 149.95 21.56 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 115.008 -0.996 . . . . 15.0 109.342 175.119 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 7.3 p -99.09 108.44 22.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-O 121.607 0.717 . . . . 15.0 110.351 177.662 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.59 ' HD2' ' CZ ' ' A' ' 28' ' ' PHE . 37.2 ttm-85 -109.69 126.9 54.18 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.926 -0.579 . . . . 15.0 109.688 179.079 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -93.83 124.09 37.6 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.321 -0.4 . . . . 15.0 110.519 -176.659 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.507 ' HB1' ' HD2' ' A' ' 23' ' ' PRO . . . -83.25 179.31 1.98 Allowed Pre-proline 0 C--N 1.325 -0.458 0 CA-C-N 115.979 -0.555 . . . . 15.0 110.288 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.507 ' HD2' ' HB1' ' A' ' 22' ' ' ALA . 31.9 Cg_exo -61.1 -14.08 31.46 Favored 'Trans proline' 0 C--N 1.353 0.812 0 C-N-CA 121.967 1.778 . . . . 15.0 111.092 167.598 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 43.3 t-20 -77.69 137.93 38.78 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 114.941 -1.027 . . . . 15.0 108.348 170.341 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.38 -15.09 14.79 Favored Glycine 0 C--N 1.335 0.483 0 N-CA-C 110.964 -0.854 . . . . 15.0 110.964 173.148 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.536 ' HG2' ' CE3' ' A' ' 39' ' ' TRP . 9.7 tpt180 -72.65 129.9 86.33 Favored Pre-proline 0 N--CA 1.44 -0.927 0 CA-C-N 114.314 -0.943 . . . . 15.0 111.449 173.058 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 26' ' ' ARG . 2.2 Cg_endo -89.59 135.92 2.6 Favored 'Trans proline' 0 N--CA 1.461 -0.383 0 C-N-CA 122.844 2.362 . . . . 15.0 111.356 168.033 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.59 ' CZ ' ' HD2' ' A' ' 20' ' ' ARG . 52.3 p90 -110.6 150.07 29.49 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 120.658 -0.417 . . . . 15.0 110.081 178.025 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 74.5 m-85 -97.84 141.3 31.0 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.831 -0.622 . . . . 15.0 110.99 -172.376 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.733 ' HB ' ' CE2' ' B' ' 117' ' ' TYR . 10.7 pt -134.05 126.35 49.88 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.319 0 N-CA-C 114.579 1.325 . . . . 15.0 114.579 -177.169 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -94.59 130.01 41.21 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 114.695 -1.139 . . . . 15.0 111.318 179.531 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 43.4 m-70 -96.61 3.92 52.26 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.722 -0.672 . . . . 15.0 111.867 -177.507 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 48.5 m-80 -86.46 -40.71 15.06 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.768 -0.373 . . . . 15.0 111.148 -177.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.8 t -138.18 21.76 2.79 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 116.725 -0.216 . . . . 15.0 111.55 -176.245 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 58.5 mttp 49.93 70.75 0.46 Allowed 'General case' 0 C--O 1.233 0.22 0 CA-C-O 121.302 0.572 . . . . 15.0 112.146 -178.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 21.6 p -132.31 150.06 52.23 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.626 -0.715 . . . . 15.0 110.323 178.552 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.1 t -137.61 149.95 47.04 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.999 0.428 . . . . 15.0 110.858 -177.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 7.7 t -150.06 146.31 26.88 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.95 -0.568 . . . . 15.0 109.876 179.416 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.536 ' CE3' ' HG2' ' A' ' 26' ' ' ARG . 92.4 m95 -88.0 -36.3 17.11 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 109.957 -0.386 . . . . 15.0 109.957 178.714 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.634 ' HB3' HD21 ' A' ' 44' ' ' LEU . 74.1 mm-40 -82.57 131.34 35.21 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.709 -0.848 . . . . 15.0 108.709 173.523 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.752 ' O ' ' HG ' ' A' ' 44' ' ' LEU . 11.4 t0 -52.61 122.93 28.61 Favored Pre-proline 0 C--N 1.33 -0.275 0 O-C-N 123.542 0.526 . . . . 15.0 110.621 -176.85 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 1.07 ' HG2' ' HG2' ' A' ' 14' ' ' PRO . 15.0 Cg_endo -57.47 -9.85 5.83 Favored 'Trans proline' 0 CA--C 1.528 0.211 0 C-N-CA 123.692 2.928 . . . . 15.0 114.2 -177.505 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.571 ' HG3' ' HD3' ' A' ' 14' ' ' PRO . 61.9 mtt180 -61.09 -31.11 70.8 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.573 -0.451 . . . . 15.0 110.754 174.852 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.752 ' HG ' ' O ' ' A' ' 41' ' ' ASP . 4.2 pp -80.3 -15.6 56.55 Favored 'General case' 0 C--O 1.233 0.233 0 C-N-CA 120.918 -0.313 . . . . 15.0 111.396 178.174 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.479 ' HB3' ' HE2' ' A' ' 45' ' ' LYS . 32.5 ttpt -173.94 112.26 0.18 Allowed 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.477 -0.328 . . . . 15.0 110.68 -178.645 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 4.3 tp . . . . . 0 C--O 1.248 1.016 0 CA-C-N 116.189 -0.459 . . . . 15.0 110.03 177.249 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 14.7 t . . . . . 0 N--CA 1.475 0.812 0 N-CA-C 110.218 -0.29 . . . . 15.0 110.218 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 113' ' ' ALA . . . . . 0.679 ' HB3' ' HD3' ' B' ' 114' ' ' PRO . . . -72.34 -54.32 5.54 Favored Pre-proline 0 CA--C 1.537 0.444 0 N-CA-C 111.993 0.368 . . . . 15.0 111.993 -178.017 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 114' ' ' PRO . . . . . 0.679 ' HD3' ' HB3' ' B' ' 113' ' ' ALA . 17.4 Cg_exo -67.83 119.95 6.96 Favored 'Trans proline' 0 C--N 1.355 0.917 0 C-N-CA 121.788 1.659 . . . . 15.0 112.121 178.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 115' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -79.11 143.6 17.96 Favored 'Trans proline' 0 N--CA 1.463 -0.307 0 C-N-CA 122.849 2.366 . . . . 15.0 112.236 179.573 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 116' ' ' GLU . . . . . 0.462 ' CD ' ' H ' ' B' ' 116' ' ' GLU . 1.0 OUTLIER -70.1 133.79 47.52 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 108.93 -0.767 . . . . 15.0 108.93 176.29 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 117' ' ' TYR . . . . . 0.733 ' CE2' ' HB ' ' A' ' 30' ' ' ILE . 0.8 OUTLIER -100.05 123.43 44.28 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 121.046 0.45 . . . . 15.0 111.402 -175.461 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 118' ' ' MET . . . . . . . . . . . . . 13.1 tpt -170.99 99.64 0.21 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.293 -0.867 . . . . 15.0 109.654 169.463 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -113.22 -54.94 2.58 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.191 -0.67 . . . . 15.0 109.191 175.06 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.066 0 CA-C-N 115.134 -0.939 . . . . 15.0 109.085 175.569 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 88.0 t80 . . . . . 0 N--CA 1.478 0.972 0 CA-C-O 121.108 0.48 . . . . 15.0 111.037 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.696 ' HB2' ' HD2' ' A' ' 14' ' ' PRO . 0.8 OUTLIER -163.79 176.82 2.05 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-N 115.221 -0.9 . . . . 15.0 108.583 174.234 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.696 ' HD2' ' HB2' ' A' ' 13' ' ' LEU . 42.9 Cg_exo -43.84 126.4 5.82 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.671 2.248 . . . . 15.0 112.131 173.668 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -69.45 -3.8 15.95 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.448 -0.342 . . . . 15.0 111.852 -173.437 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -92.39 -16.49 49.56 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 121.145 -0.55 . . . . 15.0 112.208 176.04 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.528 ' HA ' ' O ' ' A' ' 30' ' ' ILE . 64.2 m95 -100.27 135.16 42.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.144 0.497 . . . . 15.0 110.26 179.26 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.477 ' O ' HG12 ' A' ' 30' ' ' ILE . 18.5 mm-40 -100.62 130.77 46.72 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 116.086 -0.506 . . . . 15.0 110.023 175.611 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.458 ' O ' HG13 ' A' ' 19' ' ' VAL . 8.3 p -89.73 96.69 6.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-O 121.656 0.741 . . . . 15.0 109.751 175.002 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.569 ' HB3' ' CE1' ' A' ' 28' ' ' PHE . 4.4 tpp180 -99.53 126.61 45.52 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.867 -0.606 . . . . 15.0 109.824 -177.296 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 8.8 t-80 -89.94 110.94 21.87 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.199 0.523 . . . . 15.0 110.381 -173.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -89.51 161.29 39.94 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 115.508 -0.769 . . . . 15.0 111.033 -176.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_exo -67.48 12.53 0.19 Allowed 'Trans proline' 0 C--N 1.352 0.725 0 C-N-CA 123.457 2.771 . . . . 15.0 113.136 178.469 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.547 ' HB3' ' HB3' ' A' ' 26' ' ' ARG . 3.0 t-20 -85.37 0.38 52.31 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-O 121.197 0.522 . . . . 15.0 110.165 176.684 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 66.83 21.28 71.17 Favored Glycine 0 N--CA 1.446 -0.645 0 N-CA-C 109.259 -1.537 . . . . 15.0 109.259 -166.847 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.81 ' HG2' ' HE3' ' A' ' 39' ' ' TRP . 44.1 ttp180 -142.15 129.18 11.24 Favored Pre-proline 0 N--CA 1.442 -0.853 0 CA-C-N 113.934 -1.133 . . . . 15.0 109.219 -171.844 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 26' ' ' ARG . 18.0 Cg_endo -89.44 130.23 1.94 Allowed 'Trans proline' 0 N--CA 1.455 -0.771 0 C-N-CA 122.296 1.998 . . . . 15.0 112.286 176.845 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.569 ' CE1' ' HB3' ' A' ' 20' ' ' ARG . 9.8 p90 -93.49 136.58 33.63 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-O 121.546 0.689 . . . . 15.0 109.867 176.592 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 67.4 m-85 -89.96 130.7 36.13 Favored 'General case' 0 C--N 1.317 -0.804 0 CA-C-N 115.108 -0.951 . . . . 15.0 108.855 -178.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.974 ' HB ' ' HE2' ' B' ' 117' ' ' TYR . 19.5 pt -133.37 127.93 54.54 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.648 0 N-CA-C 115.296 1.591 . . . . 15.0 115.296 -173.147 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.487 ' HB2' ' CE2' ' A' ' 17' ' ' TRP . 9.8 t70 -93.77 132.87 37.73 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 114.252 -1.34 . . . . 15.0 110.154 176.025 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 50.7 m-70 -91.37 -10.22 41.99 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.246 -0.434 . . . . 15.0 111.572 -175.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 37.4 m-80 -81.81 -48.04 12.09 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.889 0.376 . . . . 15.0 111.052 -172.834 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.465 HG22 ' OD2' ' A' ' 31' ' ' ASP . 15.4 t -115.46 10.08 15.65 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.12 -0.491 . . . . 15.0 111.919 -173.517 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.828 ' HG3' ' HD1' ' B' ' 117' ' ' TYR . 9.9 mptt 53.69 83.5 0.07 Allowed 'General case' 0 CA--C 1.53 0.18 0 CA-C-O 121.193 0.52 . . . . 15.0 111.83 -177.699 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 89.7 m -145.64 132.74 20.38 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.231 -0.44 . . . . 15.0 111.434 179.571 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.724 HG21 ' HD2' ' B' ' 115' ' ' PRO . 18.0 m -114.95 130.07 56.85 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.589 -0.732 . . . . 15.0 109.825 176.476 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.682 ' OG1' ' HG2' ' A' ' 40' ' ' GLU . 14.8 t -142.05 150.08 40.78 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.626 -0.429 . . . . 15.0 111.677 -179.447 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.81 ' HE3' ' HG2' ' A' ' 26' ' ' ARG . 17.4 m95 -113.86 -6.08 13.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.24 -0.436 . . . . 15.0 110.132 179.48 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.682 ' HG2' ' OG1' ' A' ' 38' ' ' THR . 11.8 pt-20 -82.38 -7.4 59.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 15.0 111.51 -173.594 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.432 ' OD1' ' HB2' ' A' ' 43' ' ' ARG . 11.5 t70 66.2 105.2 0.03 OUTLIER Pre-proline 0 N--CA 1.469 0.478 0 O-C-N 123.983 0.802 . . . . 15.0 110.707 -179.21 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -69.96 -11.76 31.2 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.149 1.9 . . . . 15.0 113.023 -177.574 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.678 ' HD3' ' HD3' ' A' ' 14' ' ' PRO . 27.7 mmm180 -77.65 -12.63 59.99 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.328 -0.619 . . . . 15.0 109.328 178.201 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -80.05 -14.33 58.62 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.222 -0.899 . . . . 15.0 110.391 170.136 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.442 ' HD2' ' N ' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -90.42 -7.52 52.91 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 120.38 -0.528 . . . . 15.0 112.291 -177.565 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.953 0 CA-C-O 119.235 -0.412 . . . . 15.0 110.259 171.32 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 38.3 m . . . . . 0 N--CA 1.477 0.905 0 CA-C-O 120.97 0.415 . . . . 15.0 110.574 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 113' ' ' ALA . . . . . 0.609 ' HB1' ' HD2' ' B' ' 114' ' ' PRO . . . -83.49 168.18 23.99 Favored Pre-proline 0 C--N 1.323 -0.555 0 CA-C-N 115.768 -0.651 . . . . 15.0 110.183 179.441 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 114' ' ' PRO . . . . . 0.609 ' HD2' ' HB1' ' B' ' 113' ' ' ALA . 8.1 Cg_endo -51.07 120.07 6.23 Favored 'Trans proline' 0 C--N 1.351 0.675 0 C-N-CA 122.708 2.272 . . . . 15.0 112.961 176.48 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 115' ' ' PRO . . . . . 0.724 ' HD2' HG21 ' A' ' 37' ' ' THR . 4.0 Cg_exo -77.21 135.64 15.37 Favored 'Trans proline' 0 N--CA 1.459 -0.546 0 C-N-CA 123.415 2.743 . . . . 15.0 111.348 178.177 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 116' ' ' GLU . . . . . 0.446 ' CD ' ' H ' ' B' ' 116' ' ' GLU . 0.8 OUTLIER -57.98 120.23 8.17 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.324 -0.621 . . . . 15.0 109.324 177.132 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 117' ' ' TYR . . . . . 0.974 ' HE2' ' HB ' ' A' ' 30' ' ' ILE . 49.9 t80 -84.97 124.99 32.31 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 112.987 0.736 . . . . 15.0 112.987 -168.022 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 118' ' ' MET . . . . . . . . . . . . . 52.1 tpp -164.2 99.71 0.84 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 114.822 -1.081 . . . . 15.0 108.357 164.829 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 119' ' ' GLU . . . . . 0.443 ' O ' ' HG3' ' B' ' 119' ' ' GLU . 4.5 tp10 -130.08 20.09 5.4 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.491 -0.777 . . . . 15.0 109.372 -173.14 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.982 0 CA-C-N 115.327 -0.851 . . . . 15.0 110.254 -173.519 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 48.2 t80 . . . . . 0 N--CA 1.478 0.932 0 CA-C-O 120.985 0.421 . . . . 15.0 110.036 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.488 HD13 ' N ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -135.5 162.96 54.13 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.441 -0.345 . . . . 15.0 110.903 -177.276 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 1.118 ' HG2' ' HB2' ' A' ' 42' ' ' PRO . 67.8 Cg_exo -49.65 139.19 31.48 Favored 'Trans proline' 0 N--CA 1.475 0.433 0 C-N-CA 123.748 2.965 . . . . 15.0 114.247 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 36.1 ttmt -60.59 116.23 4.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.207 -0.906 . . . . 15.0 110.203 174.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 118.41 -19.37 10.73 Favored Glycine 0 N--CA 1.448 -0.511 0 N-CA-C 111.311 -0.716 . . . . 15.0 111.311 -177.563 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.549 ' CZ3' HG22 ' A' ' 38' ' ' THR . 68.8 m95 -100.87 127.54 47.29 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.227 0.537 . . . . 15.0 110.127 177.46 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.55 ' HB2' HG13 ' A' ' 30' ' ' ILE . 71.0 mm-40 -96.82 149.94 21.29 Favored 'General case' 0 C--N 1.311 -1.092 0 CA-C-N 115.42 -0.809 . . . . 15.0 109.584 176.773 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 13.9 p -101.38 114.16 39.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-O 121.591 0.71 . . . . 15.0 110.371 177.41 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.665 ' HD2' ' HZ ' ' A' ' 28' ' ' PHE . 12.9 ttm180 -118.6 141.48 48.55 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 108.623 -0.881 . . . . 15.0 108.623 178.195 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 6.7 t-80 -108.42 123.78 49.39 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 120.524 -0.47 . . . . 15.0 111.166 -174.613 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.474 ' HB1' ' HD2' ' A' ' 23' ' ' PRO . . . -86.76 177.11 2.99 Favored Pre-proline 0 C--N 1.323 -0.561 0 CA-C-N 115.612 -0.722 . . . . 15.0 109.818 176.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.474 ' HD2' ' HB1' ' A' ' 22' ' ' ALA . 32.3 Cg_exo -60.79 -18.91 58.98 Favored 'Trans proline' 0 C--N 1.354 0.856 0 C-N-CA 122.387 2.058 . . . . 15.0 111.613 169.594 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.526 ' ND2' ' HB3' ' A' ' 26' ' ' ARG . 65.4 t30 -62.55 137.33 58.24 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.255 -0.884 . . . . 15.0 109.152 170.178 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.13 55.27 0.82 Allowed Glycine 0 C--N 1.331 0.283 0 N-CA-C 110.984 -0.846 . . . . 15.0 110.984 174.158 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.526 ' HB3' ' ND2' ' A' ' 24' ' ' ASN . 31.0 tpt180 -163.82 132.96 2.94 Favored Pre-proline 0 N--CA 1.44 -0.948 0 CA-C-N 114.493 -0.854 . . . . 15.0 109.177 -170.048 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.481 ' HD2' ' HD2' ' A' ' 26' ' ' ARG . 1.7 Cg_endo -89.48 127.1 1.63 Allowed 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 122.251 1.967 . . . . 15.0 111.672 171.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.665 ' HZ ' ' HD2' ' A' ' 20' ' ' ARG . 38.1 p90 -93.98 138.59 31.91 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.112 0.482 . . . . 15.0 109.748 178.369 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.478 ' HE2' ' NH2' ' A' ' 26' ' ' ARG . 82.3 m-85 -90.23 140.4 29.71 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.702 -0.681 . . . . 15.0 110.186 -174.037 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.55 HG13 ' HB2' ' A' ' 18' ' ' GLU . 17.9 pt -135.67 123.5 36.74 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.768 0 N-CA-C 114.651 1.352 . . . . 15.0 114.651 -175.685 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.548 ' HB2' ' CE2' ' A' ' 17' ' ' TRP . 15.7 t70 -89.92 122.91 33.39 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.472 -0.785 . . . . 15.0 110.234 178.551 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 -90.47 -1.0 57.88 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.993 -0.549 . . . . 15.0 111.62 -176.325 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 45.9 m-80 -83.31 -50.07 8.74 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.831 0.348 . . . . 15.0 111.078 -176.377 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 14.8 t -118.96 5.91 11.37 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.988 0.423 . . . . 15.0 110.599 -179.226 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.411 ' HE3' ' O ' ' B' ' 119' ' ' GLU . 60.5 mmtt 58.6 83.14 0.13 Allowed 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 115.333 -0.848 . . . . 15.0 111.59 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 10.1 t -150.07 150.07 31.2 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.947 -0.57 . . . . 15.0 109.724 176.038 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.9 t -129.69 149.99 51.2 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.823 0.344 . . . . 15.0 110.886 -175.495 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.549 HG22 ' CZ3' ' A' ' 17' ' ' TRP . 7.2 t -144.46 145.72 32.04 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.241 -0.436 . . . . 15.0 111.054 -179.133 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.416 ' CE3' ' CG ' ' A' ' 26' ' ' ARG . 96.5 m95 -94.06 -4.12 50.01 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 109.306 -0.627 . . . . 15.0 109.306 173.383 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -101.8 119.84 39.42 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.902 -0.59 . . . . 15.0 109.545 175.26 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -49.9 114.3 4.13 Favored Pre-proline 0 C--N 1.329 -0.322 0 O-C-N 123.834 0.709 . . . . 15.0 111.365 -177.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 1.118 ' HB2' ' HG2' ' A' ' 14' ' ' PRO . 23.2 Cg_exo -59.92 -15.03 30.56 Favored 'Trans proline' 0 CA--C 1.537 0.652 0 C-N-CA 122.114 1.876 . . . . 15.0 113.906 -178.882 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.918 ' HG3' ' HD3' ' A' ' 14' ' ' PRO . 85.9 mtt-85 -80.33 -33.92 37.08 Favored 'General case' 0 N--CA 1.464 0.243 0 C-N-CA 120.355 -0.538 . . . . 15.0 110.858 174.453 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.412 HD13 ' HA ' ' A' ' 44' ' ' LEU . 4.5 mm? -80.09 -17.11 53.49 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.128 -0.487 . . . . 15.0 110.685 -179.831 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -143.06 105.02 4.38 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.964 -0.562 . . . . 15.0 109.503 175.503 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.849 HD13 ' H ' ' A' ' 46' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--O 1.247 0.939 0 CA-C-O 118.387 -0.816 . . . . 15.0 110.221 177.463 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 9.0 t . . . . . 0 N--CA 1.476 0.839 0 CA-C-O 120.963 0.411 . . . . 15.0 110.709 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 113' ' ' ALA . . . . . 0.633 ' HB3' ' HD3' ' B' ' 114' ' ' PRO . . . -88.69 -49.55 0.41 Allowed Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 115.957 -0.565 . . . . 15.0 111.009 175.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 114' ' ' PRO . . . . . 0.633 ' HD3' ' HB3' ' B' ' 113' ' ' ALA . 17.3 Cg_exo -68.6 131.21 22.39 Favored 'Trans proline' 0 C--N 1.354 0.841 0 C-N-CA 121.984 1.79 . . . . 15.0 111.627 173.535 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 115' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.17 143.64 54.38 Favored 'Trans proline' 0 C--O 1.233 0.249 0 C-N-CA 122.88 2.387 . . . . 15.0 111.79 177.383 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 116' ' ' GLU . . . . . 0.489 ' CD ' ' H ' ' B' ' 116' ' ' GLU . 0.6 OUTLIER -58.5 125.4 23.19 Favored 'General case' 0 C--O 1.234 0.249 0 N-CA-C 109.195 -0.668 . . . . 15.0 109.195 177.708 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 117' ' ' TYR . . . . . 0.571 ' HD1' ' N ' ' B' ' 118' ' ' MET . 0.3 OUTLIER -108.96 123.67 49.47 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 112.282 0.475 . . . . 15.0 112.282 -168.215 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 118' ' ' MET . . . . . 0.571 ' N ' ' HD1' ' B' ' 117' ' ' TYR . 19.0 ptm -179.52 105.96 0.03 OUTLIER 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.283 -0.871 . . . . 15.0 110.253 167.809 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 119' ' ' GLU . . . . . 0.528 ' HG2' ' N ' ' B' ' 120' ' ' ALA . 0.0 OUTLIER -139.83 -170.11 2.87 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.991 -0.284 . . . . 15.0 110.521 175.522 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 120' ' ' ALA . . . . . 0.528 ' N ' ' HG2' ' B' ' 119' ' ' GLU . . . . . . . . 0 C--O 1.251 1.144 0 CA-C-O 118.682 -0.675 . . . . 15.0 110.272 177.631 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.424 ' HB3' HD13 ' A' ' 13' ' ' LEU . 65.6 t80 . . . . . 0 N--CA 1.481 1.105 0 CA-C-O 121.051 0.453 . . . . 15.0 109.866 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.734 ' HB2' ' HD2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -92.73 175.07 3.47 Favored Pre-proline 0 C--N 1.326 -0.432 0 N-CA-C 109.387 -0.597 . . . . 15.0 109.387 172.957 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.734 ' HD2' ' HB2' ' A' ' 13' ' ' LEU . 16.6 Cg_exo -41.15 136.19 2.39 Favored 'Trans proline' 0 C--N 1.351 0.687 0 C-N-CA 123.09 2.527 . . . . 15.0 113.104 175.713 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.2 ptpm? -72.48 1.96 7.12 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.285 0.476 . . . . 15.0 112.285 -174.28 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -105.49 -8.03 36.01 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.67 -0.776 . . . . 15.0 112.38 178.421 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.69 ' CE2' ' HB2' ' A' ' 31' ' ' ASP . 74.1 m95 -110.82 124.88 52.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.451 0.643 . . . . 15.0 111.407 -176.412 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.694 ' HB2' HG13 ' A' ' 30' ' ' ILE . 33.9 mm-40 -91.76 144.73 25.21 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 114.981 -1.009 . . . . 15.0 109.491 175.38 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 21.3 t -104.88 104.6 17.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 120.95 0.405 . . . . 15.0 109.958 176.336 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.4 ttp85 -114.38 126.77 55.36 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.171 -0.468 . . . . 15.0 110.228 -178.425 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.628 ' HA ' ' HA ' ' A' ' 27' ' ' PRO . 29.0 t-80 -89.88 122.15 32.66 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.985 0.422 . . . . 15.0 110.805 -173.432 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.445 ' C ' ' H ' ' A' ' 24' ' ' ASN . . . -94.15 159.97 33.08 Favored Pre-proline 0 C--N 1.322 -0.606 0 CA-C-N 115.875 -0.602 . . . . 15.0 110.423 179.304 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_exo -67.72 12.0 0.22 Allowed 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 123.14 2.56 . . . . 15.0 112.419 176.135 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.595 ' OD1' ' HA ' ' B' ' 112' ' ' THR . 0.8 OUTLIER -84.0 6.57 21.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.025 -0.534 . . . . 15.0 110.371 177.977 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 64.73 28.82 73.84 Favored Glycine 0 N--CA 1.447 -0.598 0 N-CA-C 109.424 -1.471 . . . . 15.0 109.424 -168.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.588 ' HG2' ' CE3' ' A' ' 39' ' ' TRP . 8.2 tpt180 -147.73 130.61 7.94 Favored Pre-proline 0 N--CA 1.445 -0.701 0 CA-C-N 114.515 -0.843 . . . . 15.0 111.063 -167.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.628 ' HA ' ' HA ' ' A' ' 21' ' ' HIS . 18.7 Cg_endo -89.87 128.7 1.66 Allowed 'Trans proline' 0 N--CA 1.451 -0.974 0 C-N-CA 122.829 2.353 . . . . 15.0 111.228 169.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.47 ' HD1' HG23 ' A' ' 30' ' ' ILE . 20.7 p90 -101.21 138.81 37.75 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.69 -0.485 . . . . 15.0 109.69 176.741 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.418 ' HB2' HG23 ' A' ' 38' ' ' THR . 97.8 m-85 -90.31 136.53 33.0 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.989 -0.551 . . . . 15.0 109.647 179.84 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.694 HG13 ' HB2' ' A' ' 18' ' ' GLU . 6.0 pt -135.32 123.02 37.53 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.564 0 N-CA-C 114.794 1.405 . . . . 15.0 114.794 -174.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.69 ' HB2' ' CE2' ' A' ' 17' ' ' TRP . 9.6 t70 -89.98 122.95 33.47 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-N 114.919 -1.037 . . . . 15.0 110.61 179.477 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 33.2 m80 -93.02 7.59 43.46 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.119 -0.491 . . . . 15.0 111.693 -178.077 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 45.2 m-80 -90.17 -37.82 13.91 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.925 0.393 . . . . 15.0 110.697 178.65 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -126.52 6.03 6.88 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.391 -0.368 . . . . 15.0 111.763 -176.592 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 62.3 mttp 50.07 68.96 0.67 Allowed 'General case' 0 CA--C 1.532 0.288 0 CA-C-O 121.812 0.815 . . . . 15.0 111.216 -173.54 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 26.5 m -137.42 142.92 41.65 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.083 -0.962 . . . . 15.0 109.348 179.347 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.0 t -124.65 149.98 46.55 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.825 0.345 . . . . 15.0 111.604 -175.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.679 HG22 ' CZ3' ' A' ' 17' ' ' TRP . 5.8 t -140.19 142.19 35.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.946 -0.57 . . . . 15.0 109.949 176.423 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.588 ' CE3' ' HG2' ' A' ' 26' ' ' ARG . 83.8 m95 -89.43 -4.62 57.92 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 120.95 0.405 . . . . 15.0 110.16 179.566 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -123.37 135.45 54.16 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.785 -0.643 . . . . 15.0 110.034 178.403 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.452 ' HA ' ' HD2' ' A' ' 42' ' ' PRO . 10.1 t70 -49.25 121.21 10.88 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-N 115.093 -0.958 . . . . 15.0 113.03 -170.044 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.452 ' HD2' ' HA ' ' A' ' 41' ' ' ASP . 26.4 Cg_endo -61.14 -9.61 12.93 Favored 'Trans proline' 0 C--N 1.349 0.586 0 C-N-CA 123.941 3.094 . . . . 15.0 115.488 -179.747 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.471 ' HG3' ' HD3' ' A' ' 14' ' ' PRO . 72.4 mtm180 -61.49 -21.36 64.12 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 118.702 0.683 . . . . 15.0 111.006 178.035 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 77.8 mt -79.89 -10.15 59.75 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.88 0.371 . . . . 15.0 110.941 175.589 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 32.4 mmmt -90.05 2.17 55.5 Favored 'General case' 0 CA--C 1.521 -0.168 0 CA-C-O 121.259 0.552 . . . . 15.0 110.327 177.327 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 61.3 mt . . . . . 0 C--O 1.247 0.97 0 CA-C-N 115.385 -0.825 . . . . 15.0 109.71 177.577 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 112' ' ' THR . . . . . 0.595 ' HA ' ' OD1' ' A' ' 24' ' ' ASN . 10.5 m . . . . . 0 N--CA 1.473 0.72 0 CA-C-O 120.936 0.398 . . . . 15.0 110.11 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 113' ' ' ALA . . . . . . . . . . . . . . . -130.15 136.62 29.3 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 116.179 -0.464 . . . . 15.0 110.259 -178.526 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 114' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -61.25 121.45 9.65 Favored 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.865 2.377 . . . . 15.0 112.465 -178.685 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 115' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -73.97 128.61 12.48 Favored 'Trans proline' 0 N--CA 1.458 -0.559 0 C-N-CA 122.372 2.048 . . . . 15.0 110.686 176.649 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -60.67 119.98 9.16 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.435 0.636 . . . . 15.0 109.597 179.13 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 117' ' ' TYR . . . . . 0.526 ' CE2' ' HB ' ' A' ' 30' ' ' ILE . 0.3 OUTLIER -83.95 120.19 25.8 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.437 -0.801 . . . . 15.0 111.935 -168.468 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 118' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -168.42 105.07 0.45 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.195 -0.911 . . . . 15.0 108.828 167.379 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 119' ' ' GLU . . . . . 0.454 ' HG2' ' CE1' ' B' ' 117' ' ' TYR . 5.6 pt-20 -149.99 116.04 5.67 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 115.026 -0.988 . . . . 15.0 109.229 178.246 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.244 0.798 0 CA-C-O 118.355 -0.831 . . . . 15.0 110.396 -174.406 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 25.9 p90 . . . . . 0 N--CA 1.477 0.888 0 N-CA-C 109.917 -0.401 . . . . 15.0 109.917 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.538 ' HB3' ' HD2' ' A' ' 14' ' ' PRO . 77.9 mt -121.88 166.45 16.71 Favored Pre-proline 0 C--N 1.322 -0.627 0 N-CA-C 109.388 -0.597 . . . . 15.0 109.388 177.068 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.804 ' HG2' ' HG2' ' A' ' 42' ' ' PRO . 89.6 Cg_exo -46.36 113.86 0.73 Allowed 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.818 2.345 . . . . 15.0 112.576 174.458 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 60.9 mtpt 38.79 -90.79 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.517 0 O-C-N 124.474 1.109 . . . . 15.0 113.4 170.137 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -136.77 57.16 0.68 Allowed Glycine 0 N--CA 1.444 -0.791 0 C-N-CA 120.753 -0.737 . . . . 15.0 113.136 -177.022 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.568 ' CD1' ' HB2' ' A' ' 14' ' ' PRO . 74.7 m95 -108.82 127.18 53.8 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.5 0.666 . . . . 15.0 111.142 178.047 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.547 ' HB2' HG13 ' A' ' 30' ' ' ILE . 6.5 mm-40 -96.07 147.62 23.53 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 114.702 -1.135 . . . . 15.0 109.575 175.053 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 23.6 t -98.71 99.1 8.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 N-CA-C 109.757 -0.46 . . . . 15.0 109.757 178.141 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.9 tpp180 -104.53 125.38 50.64 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.411 -0.588 . . . . 15.0 109.411 -178.005 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.649 ' HA ' ' HA ' ' A' ' 27' ' ' PRO . 27.1 t-80 -89.77 126.61 35.74 Favored 'General case' 0 C--N 1.322 -0.595 0 O-C-N 122.017 -0.427 . . . . 15.0 111.112 -175.872 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.418 ' C ' ' H ' ' A' ' 24' ' ' ASN . . . -101.31 162.31 20.91 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-N 116.19 -0.459 . . . . 15.0 110.141 177.668 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_exo -65.23 6.27 0.41 Allowed 'Trans proline' 0 C--N 1.35 0.65 0 C-N-CA 123.244 2.629 . . . . 15.0 112.722 176.5 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.418 ' H ' ' C ' ' A' ' 22' ' ' ALA . 2.4 t-20 -77.36 5.54 8.5 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.596 -0.729 . . . . 15.0 110.435 178.27 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 64.31 22.45 67.36 Favored Glycine 0 CA--C 1.505 -0.555 0 N-CA-C 109.56 -1.416 . . . . 15.0 109.56 -171.094 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.487 ' HG2' ' HE3' ' A' ' 39' ' ' TRP . 28.8 ttp180 -145.17 135.69 12.08 Favored Pre-proline 0 N--CA 1.44 -0.929 0 CA-C-N 114.292 -0.954 . . . . 15.0 110.182 -170.812 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.649 ' HA ' ' HA ' ' A' ' 21' ' ' HIS . 12.2 Cg_endo -89.52 120.24 0.96 Allowed 'Trans proline' 0 N--CA 1.447 -1.207 0 C-N-CA 122.341 2.028 . . . . 15.0 111.635 170.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 27.7 p90 -90.07 139.47 30.59 Favored 'General case' 0 N--CA 1.446 -0.657 0 N-CA-C 108.878 -0.786 . . . . 15.0 108.878 177.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.494 ' HB2' ' OG1' ' A' ' 38' ' ' THR . 97.6 m-85 -89.99 138.74 31.25 Favored 'General case' 0 CA--C 1.502 -0.877 0 CA-C-N 116.265 -0.425 . . . . 15.0 110.748 -175.501 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.704 ' HB ' ' CE2' ' B' ' 117' ' ' TYR . 13.6 pt -133.49 124.22 47.94 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.913 0 N-CA-C 114.687 1.366 . . . . 15.0 114.687 -173.521 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.568 ' HB2' ' CE2' ' A' ' 17' ' ' TRP . 19.9 t70 -89.89 120.95 31.56 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 114.515 -1.221 . . . . 15.0 109.303 176.26 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 21.0 m-70 -83.4 -5.0 59.01 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.369 -0.378 . . . . 15.0 111.698 -175.778 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 39.6 m-80 -82.01 -57.61 3.33 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.095 0.474 . . . . 15.0 110.648 -178.074 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.0 m -105.43 1.01 27.35 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.996 -0.547 . . . . 15.0 110.958 -175.093 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 54.53 88.59 0.04 OUTLIER 'General case' 0 CA--C 1.535 0.392 0 CA-C-O 121.207 0.527 . . . . 15.0 111.075 -172.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 16.2 m -143.53 140.7 30.4 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 116.261 -0.427 . . . . 15.0 110.896 178.739 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.548 HG22 HG22 ' A' ' 30' ' ' ILE . 13.6 p -112.23 128.33 56.22 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 120.888 0.375 . . . . 15.0 111.731 -178.883 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.494 ' OG1' ' HB2' ' A' ' 29' ' ' PHE . 76.6 p -126.44 121.52 32.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.796 0.332 . . . . 15.0 111.791 177.817 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.487 ' HE3' ' HG2' ' A' ' 26' ' ' ARG . 98.6 m95 -72.7 -14.9 61.67 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.172 0.511 . . . . 15.0 109.944 175.434 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -103.34 147.07 27.54 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.54 -0.755 . . . . 15.0 109.71 174.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -65.23 121.55 75.1 Favored Pre-proline 0 C--N 1.326 -0.452 0 CA-C-N 116.229 -0.441 . . . . 15.0 110.408 -178.827 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.804 ' HG2' ' HG2' ' A' ' 14' ' ' PRO . 18.9 Cg_endo -60.08 -9.68 10.76 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 123.488 2.792 . . . . 15.0 113.844 -178.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.749 ' HA ' HD13 ' A' ' 46' ' ' ILE . 82.3 mtp180 -60.26 -20.46 59.07 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.953 0.406 . . . . 15.0 110.652 175.057 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 92.0 mt -79.86 -10.12 59.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.082 -0.508 . . . . 15.0 110.685 176.353 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.732 ' HA ' ' HE3' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -92.27 -1.81 56.86 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.416 -0.356 . . . . 15.0 111.326 178.658 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.749 HD13 ' HA ' ' A' ' 43' ' ' ARG . 1.8 mp . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.298 -0.858 . . . . 15.0 109.729 176.076 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 11.6 m . . . . . 0 N--CA 1.476 0.835 0 CA-C-O 120.909 0.385 . . . . 15.0 110.472 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 113' ' ' ALA . . . . . . . . . . . . . . . -148.85 165.89 16.73 Favored Pre-proline 0 C--N 1.322 -0.595 0 CA-C-N 116.135 -0.484 . . . . 15.0 110.216 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 114' ' ' PRO . . . . . 0.452 ' HA ' ' HD3' ' B' ' 115' ' ' PRO . 73.7 Cg_exo -51.78 122.11 9.82 Favored 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 122.39 2.06 . . . . 15.0 111.54 173.874 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 115' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' B' ' 114' ' ' PRO . 27.9 Cg_exo -62.03 135.13 53.28 Favored 'Trans proline' 0 N--CA 1.461 -0.42 0 C-N-CA 122.68 2.253 . . . . 15.0 112.507 -177.397 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 116' ' ' GLU . . . . . 0.509 ' H ' ' HG2' ' B' ' 116' ' ' GLU . 4.6 pt-20 -65.25 119.96 11.87 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.367 -0.833 . . . . 15.0 109.907 176.32 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 117' ' ' TYR . . . . . 0.818 ' HE1' ' HB2' ' B' ' 119' ' ' GLU . 0.5 OUTLIER -102.08 124.52 47.83 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.874 -0.603 . . . . 15.0 111.607 -169.211 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 118' ' ' MET . . . . . 0.61 ' N ' ' HD1' ' B' ' 117' ' ' TYR . 22.3 ptt? -153.62 98.85 2.26 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.608 0.718 . . . . 15.0 110.054 165.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 119' ' ' GLU . . . . . 0.818 ' HB2' ' HE1' ' B' ' 117' ' ' TYR . 47.2 mt-10 -136.45 132.44 35.4 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.204 -0.907 . . . . 15.0 109.383 178.03 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.072 0 O-C-N 124.154 0.909 . . . . 15.0 110.585 -177.763 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 38.9 p90 . . . . . 0 N--CA 1.477 0.916 0 CA-C-O 120.866 0.365 . . . . 15.0 110.147 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.504 ' HB3' ' HD2' ' A' ' 14' ' ' PRO . 96.2 mt -122.49 169.81 9.05 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-N 116.193 -0.458 . . . . 15.0 110.109 179.392 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.654 ' HB2' ' CD1' ' A' ' 17' ' ' TRP . 66.0 Cg_exo -47.7 -9.66 0.07 OUTLIER 'Trans proline' 0 CA--C 1.539 0.762 0 C-N-CA 123.975 3.116 . . . . 15.0 114.624 171.159 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 54.6 mttp 73.09 115.99 0.05 Allowed 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 123.589 0.755 . . . . 15.0 111.739 176.415 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.408 ' O ' ' HA ' ' A' ' 31' ' ' ASP . . . 100.3 -3.96 56.84 Favored Glycine 0 N--CA 1.446 -0.698 0 CA-C-N 115.112 -0.949 . . . . 15.0 111.051 -176.421 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.654 ' CD1' ' HB2' ' A' ' 14' ' ' PRO . 80.4 m95 -109.26 121.95 46.28 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.047 0.451 . . . . 15.0 110.713 -179.011 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.59 ' HB2' HG13 ' A' ' 30' ' ' ILE . 17.8 mm-40 -89.85 149.89 22.46 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.32 -0.855 . . . . 15.0 108.851 173.356 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 13.5 p -103.4 119.63 52.21 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 CA-C-O 121.267 0.556 . . . . 15.0 109.714 173.448 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.508 ' HD2' ' HZ ' ' A' ' 28' ' ' PHE . 43.6 ttm-85 -121.43 128.82 52.55 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.882 0.372 . . . . 15.0 110.016 179.566 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -95.28 122.25 37.79 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.048 -0.524 . . . . 15.0 110.344 -178.505 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.445 ' HB3' ' OD1' ' A' ' 24' ' ' ASN . . . -102.59 168.66 8.57 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 116.231 -0.44 . . . . 15.0 110.25 179.352 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_exo -64.98 2.08 1.55 Allowed 'Trans proline' 0 C--N 1.353 0.809 0 C-N-CA 123.105 2.536 . . . . 15.0 113.05 178.213 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.445 ' OD1' ' HB3' ' A' ' 22' ' ' ALA . 6.2 p30 -80.6 1.36 30.09 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.314 -0.403 . . . . 15.0 110.818 175.107 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.31 18.52 69.53 Favored Glycine 0 C--N 1.334 0.461 0 N-CA-C 110.237 -1.145 . . . . 15.0 110.237 -176.77 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.675 ' HG2' ' CE3' ' A' ' 39' ' ' TRP . 5.2 tpt180 -124.99 131.72 24.16 Favored Pre-proline 0 N--CA 1.441 -0.916 0 CA-C-N 114.197 -1.001 . . . . 15.0 110.416 -171.254 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_endo -89.76 113.9 0.56 Allowed 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 122.39 2.06 . . . . 15.0 111.428 170.708 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.518 ' HB3' ' CZ3' ' A' ' 39' ' ' TRP . 31.6 p90 -96.73 139.66 32.46 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.747 -0.464 . . . . 15.0 109.747 179.198 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -89.72 137.98 31.87 Favored 'General case' 0 CA--C 1.508 -0.652 0 CA-C-N 115.795 -0.639 . . . . 15.0 109.945 -175.22 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.62 ' O ' ' HA ' ' A' ' 17' ' ' TRP . 3.4 pt -136.0 119.37 23.39 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.691 0 N-CA-C 114.447 1.277 . . . . 15.0 114.447 -174.707 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.46 ' OD2' ' HB ' ' A' ' 34' ' ' THR . 0.0 OUTLIER -91.29 127.79 36.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 114.657 -1.156 . . . . 15.0 110.621 179.778 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 24.6 m-70 -94.61 -7.7 40.22 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 112.861 0.689 . . . . 15.0 112.861 -174.494 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -98.59 -17.12 18.82 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.228 -0.589 . . . . 15.0 111.027 -175.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.46 ' HB ' ' OD2' ' A' ' 31' ' ' ASP . 2.1 m -124.96 -5.71 7.38 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.356 -0.383 . . . . 15.0 110.907 176.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 48.3 mmtm 59.03 51.93 6.74 Favored 'General case' 0 N--CA 1.464 0.226 0 C-N-CA 123.056 0.543 . . . . 15.0 111.071 -179.168 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 27.3 m -126.13 140.98 52.13 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.893 0.378 . . . . 15.0 111.253 179.417 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 11.3 t -116.94 150.15 38.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 15.0 110.454 179.652 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.515 HG21 ' HG3' ' A' ' 42' ' ' PRO . 13.3 t -147.52 144.14 28.32 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.224 -0.444 . . . . 15.0 110.506 -177.763 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.675 ' CE3' ' HG2' ' A' ' 26' ' ' ARG . 55.7 m95 -99.72 -10.57 21.74 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.662 0.744 . . . . 15.0 109.398 178.34 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -101.09 120.16 39.81 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.303 -0.862 . . . . 15.0 109.378 171.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -47.15 120.5 6.72 Favored Pre-proline 0 N--CA 1.469 0.52 0 CA-C-N 115.832 -0.622 . . . . 15.0 111.194 -175.187 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.861 ' HA ' ' HE3' ' A' ' 45' ' ' LYS . 33.8 Cg_exo -57.15 -16.39 21.41 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.549 2.166 . . . . 15.0 113.48 -178.697 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.424 ' HG3' ' HD3' ' A' ' 14' ' ' PRO . 75.6 mtp180 -64.87 -22.29 66.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.928 0.394 . . . . 15.0 110.637 177.075 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 73.8 mt -79.91 -10.42 59.77 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.067 -0.515 . . . . 15.0 111.013 177.216 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.861 ' HE3' ' HA ' ' A' ' 42' ' ' PRO . 0.0 OUTLIER -111.81 -8.86 14.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 15.0 111.447 -177.057 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.404 HG22 ' O ' ' A' ' 42' ' ' PRO . 10.8 tt . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.133 -0.937 . . . . 15.0 110.791 -179.376 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 12.8 t . . . . . 0 N--CA 1.48 1.042 0 CA-C-O 120.728 0.299 . . . . 15.0 110.329 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 113' ' ' ALA . . . . . 0.403 ' HA ' ' HD3' ' B' ' 114' ' ' PRO . . . -147.81 138.25 12.82 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 116.551 -0.295 . . . . 15.0 110.4 179.24 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 114' ' ' PRO . . . . . 0.506 ' HA ' ' HD3' ' B' ' 115' ' ' PRO . 32.9 Cg_exo -58.46 124.04 14.95 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.769 2.312 . . . . 15.0 112.089 178.027 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 115' ' ' PRO . . . . . 0.633 ' HD3' ' CZ2' ' A' ' 39' ' ' TRP . 10.3 Cg_exo -72.12 136.4 26.92 Favored 'Trans proline' 0 N--CA 1.463 -0.266 0 C-N-CA 123.067 2.511 . . . . 15.0 112.486 -177.77 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -58.02 119.95 7.69 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.657 -0.702 . . . . 15.0 109.786 175.579 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 117' ' ' TYR . . . . . 0.484 ' HD1' ' N ' ' B' ' 118' ' ' MET . 0.3 OUTLIER -97.01 123.8 40.82 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.335 -0.546 . . . . 15.0 111.846 -172.694 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 118' ' ' MET . . . . . 0.484 ' N ' ' HD1' ' B' ' 117' ' ' TYR . 19.9 ptm -171.5 59.53 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.236 -0.893 . . . . 15.0 109.718 167.903 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 119' ' ' GLU . . . . . 0.477 ' OE1' HD12 ' A' ' 30' ' ' ILE . 53.4 mt-10 -84.2 113.46 21.1 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.244 -0.889 . . . . 15.0 110.098 179.359 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.969 0 O-C-N 124.08 0.863 . . . . 15.0 112.01 175.825 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 38.6 t80 . . . . . 0 N--CA 1.477 0.916 0 CA-C-O 120.858 0.361 . . . . 15.0 110.065 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 89.8 mt -118.52 150.92 48.97 Favored Pre-proline 0 C--N 1.321 -0.657 0 CA-C-N 116.098 -0.501 . . . . 15.0 109.696 178.346 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.813 ' HD3' ' HG3' ' A' ' 43' ' ' ARG . 6.0 Cg_exo -32.47 -70.94 0.05 OUTLIER 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 125.183 3.922 . . . . 15.0 114.067 -176.754 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.569 ' H ' ' HD1' ' A' ' 17' ' ' TRP . 20.7 pttp 178.56 102.46 0.02 OUTLIER 'General case' 0 C--N 1.334 -0.066 0 CA-C-O 121.603 0.716 . . . . 15.0 110.203 -176.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 68.93 18.19 72.35 Favored Glycine 0 C--N 1.311 -0.826 0 C-N-CA 120.383 -0.913 . . . . 15.0 113.379 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.609 ' HA ' ' O ' ' A' ' 30' ' ' ILE . 81.2 m95 -95.97 131.62 42.15 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.861 -0.422 . . . . 15.0 109.861 178.573 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.579 ' O ' HG12 ' A' ' 30' ' ' ILE . 15.2 tp10 -105.81 141.96 36.35 Favored 'General case' 0 C--N 1.315 -0.896 0 N-CA-C 108.661 -0.866 . . . . 15.0 108.661 176.35 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 4.2 m -101.57 98.94 7.46 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-O 121.404 0.621 . . . . 15.0 111.164 179.647 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.672 ' HD2' ' HZ ' ' A' ' 28' ' ' PHE . 21.6 ttm180 -92.24 119.08 31.51 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.588 -0.893 . . . . 15.0 108.588 176.722 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 7.9 t-80 -89.97 115.42 27.25 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.024 0.44 . . . . 15.0 110.953 -173.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.464 ' HB1' ' HD2' ' A' ' 23' ' ' PRO . . . -77.16 176.24 3.69 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-N 115.574 -0.739 . . . . 15.0 109.736 175.889 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.464 ' HD2' ' HB1' ' A' ' 22' ' ' ALA . 32.1 Cg_exo -60.57 -18.56 55.29 Favored 'Trans proline' 0 C--N 1.353 0.777 0 C-N-CA 122.208 1.939 . . . . 15.0 111.755 173.017 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.405 ' C ' ' H ' ' A' ' 26' ' ' ARG . 14.7 m120 -63.92 146.61 53.72 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.202 -0.908 . . . . 15.0 110.015 172.186 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -71.73 48.18 1.01 Allowed Glycine 0 CA--C 1.518 0.223 0 N-CA-C 110.388 -1.085 . . . . 15.0 110.388 169.801 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.469 ' HG2' ' CE3' ' A' ' 39' ' ' TRP . 11.8 tpt180 -154.02 122.68 3.08 Favored Pre-proline 0 N--CA 1.44 -0.951 0 CA-C-N 114.577 -0.811 . . . . 15.0 109.808 -169.654 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 8.4 Cg_endo -89.71 125.57 1.39 Allowed 'Trans proline' 0 N--CA 1.45 -1.086 0 C-N-CA 122.406 2.071 . . . . 15.0 111.108 171.562 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.672 ' HZ ' ' HD2' ' A' ' 20' ' ' ARG . 52.5 p90 -90.03 135.24 33.77 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.106 -0.702 . . . . 15.0 109.106 176.605 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -89.77 134.9 33.94 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.622 -0.717 . . . . 15.0 110.387 -171.761 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.878 ' HB ' ' CE2' ' B' ' 117' ' ' TYR . 12.5 pt -130.85 125.65 58.61 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.592 0 N-CA-C 113.689 0.996 . . . . 15.0 113.689 -178.167 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.458 ' HB2' ' CE2' ' A' ' 17' ' ' TRP . 5.8 t70 -89.83 118.53 29.48 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 114.795 -1.093 . . . . 15.0 110.81 -177.784 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 24.9 m-70 -89.93 14.96 10.81 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.704 -0.68 . . . . 15.0 111.068 -178.138 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 46.9 m-80 -96.39 -39.48 9.58 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.672 0.272 . . . . 15.0 110.889 -179.147 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.9 t -142.62 28.05 1.64 Allowed 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 112.257 0.466 . . . . 15.0 112.257 -177.347 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.447 ' HE2' ' HA ' ' B' ' 118' ' ' MET . 2.6 mmmm 51.66 72.63 0.36 Allowed 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 122.482 0.313 . . . . 15.0 111.162 177.253 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 26.7 m -145.45 140.18 27.4 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 110.294 -0.261 . . . . 15.0 110.294 179.453 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.2 t -130.64 148.39 52.43 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.866 0.365 . . . . 15.0 111.363 -177.043 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 8.2 t -149.89 150.03 31.31 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 115.975 -0.557 . . . . 15.0 110.56 176.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.469 ' CE3' ' HG2' ' A' ' 26' ' ' ARG . 86.4 m95 -87.38 -13.07 44.43 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.861 0.363 . . . . 15.0 110.091 177.152 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -90.04 126.0 35.61 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.872 -0.604 . . . . 15.0 109.697 179.389 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.655 ' HB3' HD23 ' A' ' 44' ' ' LEU . 17.0 t0 -58.93 115.23 11.13 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 123.456 0.472 . . . . 15.0 110.355 -178.431 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.475 ' HB2' ' HB3' ' A' ' 14' ' ' PRO . 32.0 Cg_exo -60.32 -9.79 11.59 Favored 'Trans proline' 0 CA--C 1.533 0.439 0 C-N-CA 123.035 2.49 . . . . 15.0 113.756 -178.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.813 ' HG3' ' HD3' ' A' ' 14' ' ' PRO . 83.7 mtp180 -72.29 -20.05 61.57 Favored 'General case' 0 C--N 1.33 -0.268 0 O-C-N 121.866 -0.521 . . . . 15.0 110.488 175.193 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.655 HD23 ' HB3' ' A' ' 41' ' ' ASP . 4.2 mm? -79.82 -14.89 58.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.359 -0.382 . . . . 15.0 110.705 176.437 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 26.6 tptp -176.19 111.87 0.1 Allowed 'General case' 0 C--O 1.231 0.103 0 CA-C-N 116.002 -0.544 . . . . 15.0 110.869 177.284 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 65.7 mt . . . . . 0 C--O 1.25 1.122 0 CA-C-O 118.192 -0.909 . . . . 15.0 109.237 174.127 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 55.2 m . . . . . 0 N--CA 1.475 0.809 0 CA-C-O 120.736 0.303 . . . . 15.0 110.577 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 113' ' ' ALA . . . . . 0.656 ' HB3' ' HD3' ' B' ' 114' ' ' PRO . . . -155.54 -56.0 0.02 OUTLIER Pre-proline 0 C--N 1.327 -0.41 0 CA-C-N 116.168 -0.469 . . . . 15.0 111.021 177.382 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 114' ' ' PRO . . . . . 0.656 ' HD3' ' HB3' ' B' ' 113' ' ' ALA . 83.6 Cg_endo -82.65 124.85 4.15 Favored 'Trans proline' 0 C--N 1.352 0.747 0 C-N-CA 121.71 1.607 . . . . 15.0 112.127 174.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 115' ' ' PRO . . . . . 0.443 ' HD2' ' HA ' ' B' ' 114' ' ' PRO . 19.3 Cg_endo -60.29 135.61 62.9 Favored 'Trans proline' 0 C--O 1.233 0.226 0 C-N-CA 122.917 2.411 . . . . 15.0 111.929 176.662 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 116' ' ' GLU . . . . . 0.416 ' HG3' ' H ' ' B' ' 116' ' ' GLU . 0.0 OUTLIER -59.09 120.06 8.46 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 121.269 0.556 . . . . 15.0 110.322 177.899 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 117' ' ' TYR . . . . . 0.878 ' CE2' ' HB ' ' A' ' 30' ' ' ILE . 1.5 t80 -85.11 121.44 27.88 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.139 -0.482 . . . . 15.0 112.117 -170.414 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 118' ' ' MET . . . . . 0.447 ' HA ' ' HE2' ' A' ' 35' ' ' LYS . 51.8 ttm -175.42 108.34 0.1 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.04 -0.982 . . . . 15.0 108.866 169.571 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -119.35 128.67 54.31 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.595 0.236 . . . . 15.0 110.56 -176.602 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.975 0 CA-C-O 118.447 -0.787 . . . . 15.0 110.458 179.582 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 45.5 p90 . . . . . 0 N--CA 1.482 1.141 0 CA-C-O 120.798 0.332 . . . . 15.0 110.849 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.471 HD21 ' HB ' ' A' ' 19' ' ' VAL . 2.9 mm? -99.26 158.1 32.84 Favored Pre-proline 0 C--O 1.234 0.265 0 N-CA-C 109.936 -0.394 . . . . 15.0 109.936 177.433 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 1.004 ' HG2' ' HB2' ' A' ' 42' ' ' PRO . 0.3 OUTLIER -33.45 142.6 0.05 OUTLIER 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 124.541 3.494 . . . . 15.0 114.143 169.836 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt -48.05 111.69 0.47 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.317 -0.856 . . . . 15.0 111.286 179.114 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 115.26 -24.67 10.41 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.797 -0.716 . . . . 15.0 112.566 179.397 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.61 ' CE2' ' HB2' ' A' ' 31' ' ' ASP . 85.4 m95 -96.34 130.6 43.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.456 0.646 . . . . 15.0 111.37 -176.533 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -113.06 150.13 32.45 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 114.858 -1.065 . . . . 15.0 109.035 176.782 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.471 ' HB ' HD21 ' A' ' 13' ' ' LEU . 7.1 p -94.14 112.01 26.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 121.608 0.718 . . . . 15.0 111.052 179.781 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 21.9 tpp180 -111.15 120.58 42.77 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.304 -0.628 . . . . 15.0 109.304 177.442 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 15.3 t-80 -93.68 114.59 26.93 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 120.56 -0.456 . . . . 15.0 110.752 -176.351 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.457 ' HB1' ' HD2' ' A' ' 23' ' ' PRO . . . -75.72 175.14 4.47 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 115.862 -0.608 . . . . 15.0 110.147 177.177 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.457 ' HD2' ' HB1' ' A' ' 22' ' ' ALA . 36.4 Cg_exo -61.0 -19.91 65.19 Favored 'Trans proline' 0 C--N 1.353 0.763 0 C-N-CA 122.053 1.835 . . . . 15.0 110.801 169.314 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.425 ' C ' ' H ' ' A' ' 26' ' ' ARG . 11.4 t-20 -59.74 139.1 57.53 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 114.68 -1.145 . . . . 15.0 108.96 170.649 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -71.37 48.69 0.94 Allowed Glycine 0 C--N 1.33 0.241 0 N-CA-C 110.342 -1.103 . . . . 15.0 110.342 170.308 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.751 ' HG2' ' HE3' ' A' ' 39' ' ' TRP . 52.5 ttp180 -160.18 122.13 1.8 Allowed Pre-proline 0 N--CA 1.439 -0.99 0 N-CA-C 107.807 -1.183 . . . . 15.0 107.807 -171.112 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -89.66 127.19 1.58 Allowed 'Trans proline' 0 N--CA 1.449 -1.122 0 C-N-CA 121.55 1.5 . . . . 15.0 111.337 177.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 34.5 p90 -89.96 133.47 34.77 Favored 'General case' 0 N--CA 1.443 -0.793 0 N-CA-C 108.969 -0.752 . . . . 15.0 108.969 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -89.66 137.5 32.28 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 115.219 -0.9 . . . . 15.0 109.553 -172.869 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 1.104 ' HB ' ' HE2' ' B' ' 117' ' ' TYR . 21.6 pt -135.24 124.23 41.18 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.69 0 N-CA-C 115.197 1.555 . . . . 15.0 115.197 -172.638 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.61 ' HB2' ' CE2' ' A' ' 17' ' ' TRP . 10.6 t70 -91.05 128.72 36.98 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 114.784 -1.098 . . . . 15.0 110.081 178.2 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 78.0 m-70 -86.17 -20.81 28.05 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 112.475 0.546 . . . . 15.0 112.475 -174.851 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.3 p30 -95.92 -6.16 39.78 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.252 -0.579 . . . . 15.0 111.186 -170.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.1 m -122.93 -8.88 8.32 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.247 -0.433 . . . . 15.0 111.413 178.645 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.575 ' HA ' ' CD1' ' B' ' 117' ' ' TYR . 49.8 mmtt 52.29 68.32 0.84 Allowed 'General case' 0 CA--C 1.531 0.241 0 CA-C-O 121.04 0.448 . . . . 15.0 110.461 -171.668 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 28.5 m -150.14 150.08 31.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 15.0 110.706 -177.588 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.557 ' HB ' HG22 ' A' ' 30' ' ' ILE . 9.3 t -133.01 150.1 52.18 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-O 120.895 0.379 . . . . 15.0 111.294 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 12.3 t -145.12 150.07 36.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.977 -0.556 . . . . 15.0 110.034 178.389 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.751 ' HE3' ' HG2' ' A' ' 26' ' ' ARG . 90.2 m95 -94.91 -6.94 41.44 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.778 -0.369 . . . . 15.0 111.043 -178.566 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.471 ' H ' ' HG3' ' A' ' 40' ' ' GLU . 1.1 pp20? -102.17 130.79 48.91 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.832 -0.432 . . . . 15.0 109.832 175.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.413 ' O ' ' HG ' ' A' ' 44' ' ' LEU . 5.9 p-10 -61.1 124.82 81.98 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 115.79 -0.641 . . . . 15.0 112.225 -170.754 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 1.004 ' HB2' ' HG2' ' A' ' 14' ' ' PRO . 39.0 Cg_exo -62.39 -9.82 16.72 Favored 'Trans proline' 0 CA--C 1.532 0.39 0 C-N-CA 123.331 2.687 . . . . 15.0 112.858 176.895 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 62.7 mtt180 -59.84 -39.46 85.2 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.642 0.258 . . . . 15.0 111.435 178.834 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' A' ' 41' ' ' ASP . 3.4 pp -80.06 -9.79 59.72 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.093 0.473 . . . . 15.0 110.912 175.877 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.586 ' HB2' ' HA ' ' A' ' 42' ' ' PRO . 4.8 tttp -92.13 -26.61 18.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.794 -0.639 . . . . 15.0 111.668 -175.099 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.135 0 CA-C-O 118.207 -0.902 . . . . 15.0 110.717 -174.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 28.2 m . . . . . 0 N--CA 1.475 0.802 0 CA-C-O 120.933 0.397 . . . . 15.0 110.434 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 113' ' ' ALA . . . . . . . . . . . . . . . -149.33 165.07 18.54 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 115.959 -0.564 . . . . 15.0 109.658 -179.318 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 114' ' ' PRO . . . . . 0.484 ' HA ' ' HD3' ' B' ' 115' ' ' PRO . 65.5 Cg_exo -52.07 119.97 6.53 Favored 'Trans proline' 0 C--N 1.348 0.553 0 C-N-CA 122.371 2.048 . . . . 15.0 112.115 176.2 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 115' ' ' PRO . . . . . 0.484 ' HD3' ' HA ' ' B' ' 114' ' ' PRO . 34.4 Cg_exo -61.76 139.64 81.52 Favored 'Trans proline' 0 C--O 1.232 0.225 0 C-N-CA 123.117 2.545 . . . . 15.0 112.044 -178.786 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -66.16 138.26 57.58 Favored 'General case' 0 CA--C 1.508 -0.662 0 CA-C-O 121.693 0.759 . . . . 15.0 109.795 176.588 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 117' ' ' TYR . . . . . 1.104 ' HE2' ' HB ' ' A' ' 30' ' ' ILE . 13.2 t80 -109.22 119.8 40.59 Favored 'General case' 0 C--N 1.305 -1.353 0 CA-C-N 114.433 -1.258 . . . . 15.0 112.477 -168.395 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 118' ' ' MET . . . . . . . . . . . . . 61.3 mtt -151.63 89.87 1.52 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.616 -0.72 . . . . 15.0 109.1 168.806 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -131.08 126.65 36.37 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.054 -0.521 . . . . 15.0 110.368 -179.751 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.002 0 O-C-N 124.04 0.837 . . . . 15.0 110.766 179.786 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 36.9 p90 . . . . . 0 N--CA 1.479 0.98 0 N-CA-C 109.958 -0.386 . . . . 15.0 109.958 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.697 HD11 ' HB ' ' A' ' 19' ' ' VAL . 89.4 mt -144.72 169.2 10.44 Favored Pre-proline 0 C--N 1.321 -0.649 0 CA-C-N 116.231 -0.44 . . . . 15.0 109.851 179.825 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.8 ' HG2' ' HG2' ' A' ' 42' ' ' PRO . 28.0 Cg_exo -39.28 126.79 1.43 Allowed 'Trans proline' 0 C--N 1.349 0.587 0 C-N-CA 123.915 3.077 . . . . 15.0 113.854 174.102 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 58.9 mtpt 35.87 -90.45 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.436 0 O-C-N 124.492 1.12 . . . . 15.0 113.991 173.316 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -122.64 23.3 7.12 Favored Glycine 0 N--CA 1.442 -0.955 0 C-N-CA 121.037 -0.601 . . . . 15.0 113.331 -172.226 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.579 ' O ' ' HB2' ' A' ' 13' ' ' LEU . 85.5 m95 -89.97 127.43 36.03 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.149 0.5 . . . . 15.0 110.31 179.69 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -106.69 150.01 26.69 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.625 -0.716 . . . . 15.0 109.147 176.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.697 ' HB ' HD11 ' A' ' 13' ' ' LEU . 10.8 p -100.59 112.33 33.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 121.586 0.708 . . . . 15.0 110.608 179.62 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.55 ' HB3' ' CE1' ' A' ' 28' ' ' PHE . 14.0 tpp180 -114.67 122.86 47.77 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.582 -0.525 . . . . 15.0 109.582 179.459 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 8.5 t-80 -94.32 128.76 41.02 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.319 -0.4 . . . . 15.0 110.461 -176.269 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.452 ' HB3' ' ND2' ' A' ' 24' ' ' ASN . . . -115.89 171.8 4.32 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 116.356 -0.384 . . . . 15.0 110.818 -178.118 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_exo -63.96 0.61 1.96 Allowed 'Trans proline' 0 C--N 1.358 1.077 0 C-N-CA 123.284 2.656 . . . . 15.0 113.376 178.822 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.452 ' ND2' ' HB3' ' A' ' 22' ' ' ALA . 5.1 p30 -76.47 0.26 20.43 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.049 -0.523 . . . . 15.0 110.937 174.746 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 65.21 19.17 65.91 Favored Glycine 0 CA--C 1.504 -0.636 0 N-CA-C 110.031 -1.228 . . . . 15.0 110.031 -176.019 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.62 ' HD2' ' HD2' ' A' ' 27' ' ' PRO . 29.5 tpt180 -131.05 134.4 25.87 Favored Pre-proline 0 N--CA 1.436 -1.137 0 CA-C-N 114.267 -0.967 . . . . 15.0 110.171 -170.607 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.62 ' HD2' ' HD2' ' A' ' 26' ' ' ARG . 6.0 Cg_endo -89.61 115.23 0.63 Allowed 'Trans proline' 0 N--CA 1.448 -1.158 0 C-N-CA 121.852 1.702 . . . . 15.0 110.886 170.07 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.55 ' CE1' ' HB3' ' A' ' 20' ' ' ARG . 5.6 p90 -90.0 142.86 27.3 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 120.309 -0.556 . . . . 15.0 109.608 178.504 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 65.9 m-85 -93.18 129.94 39.03 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.622 -0.717 . . . . 15.0 109.67 -175.721 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 1.073 ' HB ' ' HE2' ' B' ' 117' ' ' TYR . 16.1 pt -133.7 125.91 50.34 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.467 0 N-CA-C 114.177 1.177 . . . . 15.0 114.177 -175.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.508 ' HB2' ' CE2' ' A' ' 17' ' ' TRP . 7.2 t70 -89.95 125.6 35.43 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.032 -0.985 . . . . 15.0 110.423 -179.317 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.405 ' HA ' ' OH ' ' B' ' 117' ' ' TYR . 47.2 m-70 -92.85 11.79 25.89 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.04 -0.527 . . . . 15.0 111.744 -177.091 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 57.2 m-80 -94.59 -43.79 8.14 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 121.076 -0.25 . . . . 15.0 110.915 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 11.0 t -126.51 13.66 7.58 Favored 'General case' 0 CA--C 1.536 0.422 0 N-CA-C 112.561 0.578 . . . . 15.0 112.561 -174.494 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.514 ' HA ' ' CE1' ' B' ' 117' ' ' TYR . 14.3 mptt 58.3 77.1 0.31 Allowed 'General case' 0 N--CA 1.469 0.491 0 CA-C-O 120.671 0.272 . . . . 15.0 111.631 -178.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 40.4 m -150.2 145.26 26.14 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 122.28 -0.263 . . . . 15.0 111.12 178.825 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.596 ' HB ' HG22 ' A' ' 30' ' ' ILE . 9.0 t -125.69 149.73 48.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.287 -0.415 . . . . 15.0 110.495 178.537 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.508 HG22 ' CZ3' ' A' ' 17' ' ' TRP . 10.1 t -149.86 150.14 31.5 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.062 0.458 . . . . 15.0 111.182 177.552 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.525 ' HZ2' ' HD3' ' B' ' 115' ' ' PRO . 12.2 m95 -105.08 1.57 28.62 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.943 -0.762 . . . . 15.0 108.943 175.693 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -81.26 -19.14 43.71 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.793 -0.64 . . . . 15.0 111.441 -175.783 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.553 ' OD2' ' HG ' ' A' ' 44' ' ' LEU . 16.0 t0 68.16 118.08 0.03 OUTLIER Pre-proline 0 N--CA 1.468 0.446 0 O-C-N 124.032 0.832 . . . . 15.0 112.416 -178.818 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.8 ' HG2' ' HG2' ' A' ' 14' ' ' PRO . 58.3 Cg_endo -73.84 -9.72 22.61 Favored 'Trans proline' 0 N--CA 1.461 -0.402 0 C-N-CA 122.521 2.147 . . . . 15.0 112.977 176.55 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.402 ' HB2' ' OD2' ' A' ' 41' ' ' ASP . 81.5 mtp180 -80.07 -28.64 39.16 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 121.049 0.452 . . . . 15.0 109.873 175.454 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.553 ' HG ' ' OD2' ' A' ' 41' ' ' ASP . 96.4 mt -80.12 -9.92 59.73 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.673 -0.694 . . . . 15.0 109.849 172.784 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.784 ' HG2' ' H ' ' A' ' 46' ' ' ILE . 75.4 tttt -107.28 -162.85 0.86 Allowed 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.765 -0.828 . . . . 15.0 108.765 175.821 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.784 ' H ' ' HG2' ' A' ' 45' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.407 -0.806 . . . . 15.0 109.123 177.738 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 27.7 m . . . . . 0 N--CA 1.474 0.765 0 CA-C-O 120.657 0.265 . . . . 15.0 110.347 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 113' ' ' ALA . . . . . 0.663 ' HB3' ' HD3' ' B' ' 114' ' ' PRO . . . -80.75 -54.88 0.74 Allowed Pre-proline 0 CA--C 1.536 0.432 0 N-CA-C 112.389 0.514 . . . . 15.0 112.389 -176.817 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 114' ' ' PRO . . . . . 0.663 ' HD3' ' HB3' ' B' ' 113' ' ' ALA . 25.3 Cg_exo -63.81 125.37 15.26 Favored 'Trans proline' 0 C--N 1.356 0.971 0 C-N-CA 121.948 1.765 . . . . 15.0 112.643 -178.871 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 115' ' ' PRO . . . . . 0.525 ' HD3' ' HZ2' ' A' ' 39' ' ' TRP . 14.3 Cg_exo -69.26 147.85 67.02 Favored 'Trans proline' 0 C--O 1.233 0.229 0 C-N-CA 123.279 2.653 . . . . 15.0 110.875 177.549 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -67.7 119.9 13.19 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.073 0.463 . . . . 15.0 109.963 -179.66 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 117' ' ' TYR . . . . . 1.073 ' HE2' ' HB ' ' A' ' 30' ' ' ILE . 2.9 t80 -92.7 126.9 37.99 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.88 -0.6 . . . . 15.0 110.436 -175.805 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 118' ' ' MET . . . . . . . . . . . . . 22.6 ptt? -179.59 58.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.588 0.709 . . . . 15.0 111.031 174.795 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 119' ' ' GLU . . . . . 0.403 ' HB2' ' H ' ' B' ' 120' ' ' ALA . 1.7 mp0 -91.05 -80.91 0.33 Allowed 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 115.315 -0.857 . . . . 15.0 109.151 175.775 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 120' ' ' ALA . . . . . 0.403 ' H ' ' HB2' ' B' ' 119' ' ' GLU . . . . . . . . 0 C--O 1.251 1.133 0 CA-C-O 118.3 -0.857 . . . . 15.0 109.703 177.587 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 27.1 p90 . . . . . 0 N--CA 1.481 1.087 0 N-CA-C 111.621 0.23 . . . . 15.0 111.621 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.506 ' HB3' ' HD2' ' A' ' 14' ' ' PRO . 93.8 mt 63.63 170.22 0.09 OUTLIER Pre-proline 0 N--CA 1.469 0.517 0 O-C-N 123.288 0.367 . . . . 15.0 110.801 -176.118 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.76 ' HB2' ' CD1' ' A' ' 17' ' ' TRP . 9.2 Cg_endo -53.86 149.38 33.87 Favored 'Trans proline' 0 N--CA 1.462 -0.364 0 C-N-CA 122.363 2.042 . . . . 15.0 110.731 168.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.7 mmmm -52.84 101.91 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 113.057 0.762 . . . . 15.0 113.057 -172.491 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.09 30.44 42.31 Favored Glycine 0 N--CA 1.45 -0.372 0 CA-C-N 115.729 -0.669 . . . . 15.0 114.582 169.543 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.76 ' CD1' ' HB2' ' A' ' 14' ' ' PRO . 73.4 m95 -105.88 132.94 51.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 117.815 0.807 . . . . 15.0 111.29 177.476 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.407 ' O ' HG12 ' A' ' 30' ' ' ILE . 8.9 tp10 -108.83 149.91 28.41 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.268 -0.878 . . . . 15.0 109.056 175.671 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.417 ' O ' HG13 ' A' ' 19' ' ' VAL . 6.3 p -102.83 96.59 4.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-O 121.586 0.707 . . . . 15.0 110.283 179.203 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.515 ' HD2' ' CZ ' ' A' ' 28' ' ' PHE . 24.0 ttm180 -95.03 128.61 42.0 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.753 -0.832 . . . . 15.0 108.753 178.356 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 10.0 t-80 -89.9 113.91 25.61 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 120.884 0.373 . . . . 15.0 110.663 -175.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -88.19 157.72 50.43 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-N 115.956 -0.565 . . . . 15.0 110.716 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 21.9 Cg_exo -66.59 3.5 1.41 Allowed 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 123.126 2.55 . . . . 15.0 112.451 176.531 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 23.6 m120 -77.66 8.52 4.33 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.056 -0.52 . . . . 15.0 110.975 178.487 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 61.31 30.66 74.68 Favored Glycine 0 CA--C 1.504 -0.617 0 N-CA-C 109.514 -1.434 . . . . 15.0 109.514 -169.805 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.748 ' HG2' ' CE3' ' A' ' 39' ' ' TRP . 17.0 tpt180 -144.41 130.75 9.97 Favored Pre-proline 0 N--CA 1.439 -0.981 0 CA-C-N 114.089 -1.055 . . . . 15.0 110.666 -168.868 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_endo -89.56 122.18 1.13 Allowed 'Trans proline' 0 N--CA 1.455 -0.761 0 C-N-CA 122.65 2.233 . . . . 15.0 111.122 168.576 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.515 ' CZ ' ' HD2' ' A' ' 20' ' ' ARG . 39.3 p90 -101.81 140.14 36.51 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.752 -0.462 . . . . 15.0 109.752 179.557 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -89.91 136.95 32.73 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.833 -0.622 . . . . 15.0 110.391 -174.798 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.859 ' HB ' ' CE2' ' B' ' 117' ' ' TYR . 27.2 pt -134.45 126.31 48.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 N-CA-C 114.885 1.439 . . . . 15.0 114.885 -175.52 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -90.08 125.01 35.27 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 114.739 -1.119 . . . . 15.0 110.461 175.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 59.6 m-70 -92.7 -1.23 57.02 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.149 -0.478 . . . . 15.0 111.107 -175.574 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 45.1 m-80 -82.8 -44.14 15.87 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 121.017 -0.273 . . . . 15.0 110.632 -177.641 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 29.4 p -126.32 12.97 7.65 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 111.777 0.288 . . . . 15.0 111.777 -176.783 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.513 ' HD3' ' HA ' ' B' ' 118' ' ' MET . 37.2 mttm 49.56 78.62 0.09 Allowed 'General case' 0 CA--C 1.531 0.232 0 CA-C-O 121.33 0.586 . . . . 15.0 112.096 -176.382 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.8 t -142.24 149.96 40.31 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.767 -0.651 . . . . 15.0 109.666 176.219 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 11.3 t -137.36 150.03 47.42 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.952 0.406 . . . . 15.0 111.248 -173.838 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.41 HG22 ' CZ3' ' A' ' 17' ' ' TRP . 4.1 t -145.22 146.44 31.72 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.994 -0.548 . . . . 15.0 110.793 179.714 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.748 ' CE3' ' HG2' ' A' ' 26' ' ' ARG . 77.8 m95 -83.77 -32.25 25.51 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 109.883 -0.414 . . . . 15.0 109.883 175.166 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -82.25 139.97 33.92 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 109.245 -0.65 . . . . 15.0 109.245 178.109 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 45.2 t0 -68.15 115.91 33.71 Favored Pre-proline 0 C--N 1.321 -0.648 0 CA-C-N 115.756 -0.656 . . . . 15.0 112.431 -171.497 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.449 ' HG2' ' HG3' ' A' ' 14' ' ' PRO . 72.4 Cg_endo -76.24 -9.71 19.09 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 123.093 2.529 . . . . 15.0 112.115 176.054 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.584 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 63.1 ttt180 -66.56 -26.62 67.21 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.15 0.5 . . . . 15.0 109.839 177.399 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 96.1 mt -80.14 -24.97 40.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.634 -0.712 . . . . 15.0 111.303 176.387 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 24.3 pttm -167.14 125.46 1.32 Allowed 'General case' 0 C--O 1.234 0.244 0 CA-C-O 121.163 0.506 . . . . 15.0 110.322 -177.376 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 6.0 tp . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.481 -0.771 . . . . 15.0 110.361 -176.252 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 38.0 m . . . . . 0 N--CA 1.477 0.924 0 N-CA-C 110.291 -0.262 . . . . 15.0 110.291 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 113' ' ' ALA . . . . . . . . . . . . . . . -129.04 149.92 73.91 Favored Pre-proline 0 C--N 1.325 -0.463 0 CA-C-N 116.711 -0.222 . . . . 15.0 110.73 -177.841 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 114' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_endo -57.03 127.88 27.6 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.934 2.423 . . . . 15.0 111.88 177.1 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 115' ' ' PRO . . . . . 0.426 ' HD3' ' CZ2' ' A' ' 39' ' ' TRP . 41.8 Cg_endo -66.64 134.19 34.45 Favored 'Trans proline' 0 C--O 1.234 0.295 0 C-N-CA 122.758 2.305 . . . . 15.0 112.162 -177.429 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -58.35 119.96 7.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.215 0.531 . . . . 15.0 109.863 176.412 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 117' ' ' TYR . . . . . 0.859 ' CE2' ' HB ' ' A' ' 30' ' ' ILE . 0.3 OUTLIER -89.43 120.66 30.95 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.035 -0.529 . . . . 15.0 111.133 -174.341 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 118' ' ' MET . . . . . 0.513 ' HA ' ' HD3' ' A' ' 35' ' ' LYS . 54.8 ttp -172.19 106.02 0.19 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.052 -0.976 . . . . 15.0 109.175 169.783 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -104.68 -83.48 0.5 Allowed 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.231 -0.655 . . . . 15.0 109.231 179.002 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.97 0 CA-C-O 118.472 -0.775 . . . . 15.0 109.183 175.619 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 27.3 p90 . . . . . 0 N--CA 1.484 1.226 0 N-CA-C 111.606 0.224 . . . . 15.0 111.606 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.594 HD13 ' H ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -98.37 168.65 9.53 Favored Pre-proline 0 C--N 1.329 -0.32 0 O-C-N 122.285 -0.26 . . . . 15.0 110.485 178.319 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.743 ' HG2' ' HG2' ' A' ' 42' ' ' PRO . 36.8 Cg_exo -42.13 125.45 3.3 Favored 'Trans proline' 0 C--N 1.35 0.621 0 C-N-CA 123.46 2.774 . . . . 15.0 113.56 176.464 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 43.9 tttm -60.82 113.18 2.36 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.54 -0.754 . . . . 15.0 110.852 179.231 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 125.64 -20.08 6.53 Favored Glycine 0 N--CA 1.449 -0.494 0 CA-C-N 115.795 -0.639 . . . . 15.0 112.23 -178.523 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.621 ' HA ' ' O ' ' A' ' 30' ' ' ILE . 83.4 m95 -103.54 128.72 50.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.177 0.513 . . . . 15.0 111.276 -179.189 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.544 ' O ' HG12 ' A' ' 30' ' ' ILE . 23.7 mt-10 -100.39 143.85 30.09 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.545 -0.752 . . . . 15.0 109.602 172.082 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 24.8 t -93.98 105.6 17.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-O 120.918 0.389 . . . . 15.0 110.246 178.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.494 ' HD2' ' CZ ' ' A' ' 28' ' ' PHE . 60.3 ttm-85 -107.52 122.26 46.29 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.282 -0.636 . . . . 15.0 109.282 179.181 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.655 ' HA ' ' HA ' ' A' ' 27' ' ' PRO . 36.1 t-80 -89.8 123.54 33.87 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.077 0.465 . . . . 15.0 110.298 -173.304 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -94.66 163.68 21.88 Favored Pre-proline 0 C--N 1.322 -0.594 0 CA-C-N 115.737 -0.665 . . . . 15.0 110.992 -177.087 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo -69.17 6.26 1.18 Allowed 'Trans proline' 0 C--N 1.349 0.59 0 C-N-CA 123.072 2.515 . . . . 15.0 112.077 173.465 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.522 HD21 ' HH2' ' A' ' 39' ' ' TRP . 94.2 m-20 -81.19 13.68 2.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.743 -0.662 . . . . 15.0 110.671 176.726 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 56.39 30.2 58.15 Favored Glycine 0 C--N 1.337 0.606 0 N-CA-C 109.95 -1.26 . . . . 15.0 109.95 -171.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.644 ' HG2' ' CE3' ' A' ' 39' ' ' TRP . 17.1 ttt180 -149.78 136.94 11.21 Favored Pre-proline 0 N--CA 1.44 -0.968 0 CA-C-N 114.525 -0.837 . . . . 15.0 110.571 -169.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.655 ' HA ' ' HA ' ' A' ' 21' ' ' HIS . 13.1 Cg_endo -89.52 128.45 1.75 Allowed 'Trans proline' 0 N--CA 1.452 -0.915 0 C-N-CA 122.523 2.149 . . . . 15.0 111.606 171.605 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.494 ' CZ ' ' HD2' ' A' ' 20' ' ' ARG . 8.0 p90 -102.44 142.9 32.89 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-O 121.338 0.59 . . . . 15.0 109.673 174.411 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.418 ' O ' ' HA ' ' A' ' 37' ' ' THR . 98.7 m-85 -90.07 137.53 32.27 Favored 'General case' 0 CA--C 1.502 -0.869 0 CA-C-N 115.521 -0.763 . . . . 15.0 110.382 -177.267 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.771 ' HB ' ' CE2' ' B' ' 117' ' ' TYR . 26.2 pt -127.45 125.18 65.23 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.926 0 N-CA-C 114.414 1.265 . . . . 15.0 114.414 -175.689 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.473 ' HB2' ' CE2' ' A' ' 17' ' ' TRP . 5.1 t70 -97.74 126.8 43.28 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 114.034 -1.439 . . . . 15.0 110.896 -179.141 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 83.4 m-70 -91.13 -2.11 57.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.911 -0.586 . . . . 15.0 111.406 -178.77 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 38.1 m-80 -87.47 -54.26 4.38 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.69 0.281 . . . . 15.0 111.672 -175.166 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.41 ' O ' HG22 ' A' ' 34' ' ' THR . 7.1 m -116.85 16.0 15.25 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.134 0.492 . . . . 15.0 111.321 -172.454 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.497 ' HE2' ' HA ' ' B' ' 118' ' ' MET . 10.8 mmmm 55.54 73.69 0.41 Allowed 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.098 -0.501 . . . . 15.0 111.453 -179.705 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 7.3 p -144.59 150.19 37.04 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 112.366 0.506 . . . . 15.0 112.366 -177.258 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.469 ' OG1' ' HB2' ' B' ' 117' ' ' TYR . 98.8 m -132.53 137.03 47.0 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.547 -0.752 . . . . 15.0 110.206 177.805 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.538 HG22 ' CZ3' ' A' ' 17' ' ' TRP . 4.8 t -135.21 141.45 45.83 Favored 'General case' 0 C--O 1.224 -0.281 0 CA-C-O 121.027 0.441 . . . . 15.0 111.231 179.587 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.644 ' CE3' ' HG2' ' A' ' 26' ' ' ARG . 96.1 m95 -84.48 -11.84 55.4 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.156 -0.474 . . . . 15.0 110.205 178.424 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.725 ' HB3' HD21 ' A' ' 44' ' ' LEU . 35.8 mt-10 -114.66 134.5 55.02 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.638 -0.71 . . . . 15.0 109.705 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.631 ' O ' ' HG ' ' A' ' 44' ' ' LEU . 25.4 t0 -48.53 118.53 7.02 Favored Pre-proline 0 N--CA 1.465 0.32 0 O-C-N 123.91 0.756 . . . . 15.0 111.165 -176.202 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.743 ' HG2' ' HG2' ' A' ' 14' ' ' PRO . 10.0 Cg_endo -52.16 -10.16 0.67 Allowed 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 123.571 2.848 . . . . 15.0 114.689 178.483 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 92.4 mtt-85 -60.68 -28.65 68.77 Favored 'General case' 0 C--N 1.33 -0.282 0 O-C-N 122.026 -0.421 . . . . 15.0 111.105 174.006 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.725 HD21 ' HB3' ' A' ' 40' ' ' GLU . 4.6 pp -80.38 -10.39 59.75 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 120.866 -0.334 . . . . 15.0 110.968 176.496 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.656 ' HG2' ' HA ' ' A' ' 42' ' ' PRO . 31.5 mmmt -79.4 -31.83 42.84 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-O 121.147 0.499 . . . . 15.0 110.062 179.742 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 46.5 mm . . . . . 0 C--O 1.249 1.072 0 CA-C-N 115.41 -0.814 . . . . 15.0 109.557 178.834 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 14.4 t . . . . . 0 N--CA 1.476 0.867 0 N-CA-C 110.336 -0.246 . . . . 15.0 110.336 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 113' ' ' ALA . . . . . . . . . . . . . . . -145.04 122.95 6.46 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-N 116.591 -0.277 . . . . 15.0 110.727 179.608 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 114' ' ' PRO . . . . . 0.452 ' HA ' ' HD3' ' B' ' 115' ' ' PRO . 31.2 Cg_endo -63.56 124.01 13.01 Favored 'Trans proline' 0 C--O 1.235 0.347 0 C-N-CA 122.655 2.237 . . . . 15.0 113.019 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 115' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' B' ' 114' ' ' PRO . 6.5 Cg_endo -88.64 134.55 2.81 Favored 'Trans proline' 0 N--CA 1.452 -0.958 0 C-N-CA 123.436 2.758 . . . . 15.0 111.64 177.4 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -70.53 121.71 18.32 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.507 -0.553 . . . . 15.0 109.507 176.382 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 117' ' ' TYR . . . . . 0.771 ' CE2' ' HB ' ' A' ' 30' ' ' ILE . 38.8 t80 -86.83 119.8 27.44 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 120.643 -0.423 . . . . 15.0 111.454 -175.591 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 118' ' ' MET . . . . . 0.497 ' HA ' ' HE2' ' A' ' 35' ' ' LYS . 25.5 mmt -151.7 64.84 0.86 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.904 -0.589 . . . . 15.0 109.721 171.633 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -97.25 4.64 50.89 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.226 -0.443 . . . . 15.0 110.876 -179.523 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 120' ' ' ALA . . . . . 0.45 ' H ' ' HE3' ' A' ' 35' ' ' LYS . . . . . . . . 0 C--O 1.248 0.983 0 CA-C-O 118.714 -0.66 . . . . 15.0 110.241 179.357 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.687 ' HG2' ' HG2' ' A' ' 42' ' ' PRO . 9.3 Cg_exo . . . . . 0 C--O 1.235 0.346 0 N-CA-C 114.921 1.085 . . . . 15.0 114.921 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 23.4 tptm -58.72 117.53 4.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 114.842 -1.072 . . . . 15.0 110.924 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 114.13 -22.37 14.12 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.848 -0.692 . . . . 15.0 112.185 179.542 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.612 ' CD1' ' HB2' ' A' ' 14' ' ' PRO . 76.5 m95 -89.91 136.73 32.87 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.884 0.85 . . . . 15.0 111.217 -177.36 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.42 ' O ' HG12 ' A' ' 30' ' ' ILE . 7.8 tt0 -101.14 144.75 29.65 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 114.226 -1.352 . . . . 15.0 108.941 177.384 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 9.9 p -106.87 119.61 56.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.509 0.671 . . . . 15.0 109.6 172.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.505 ' HB2' HD11 ' A' ' 30' ' ' ILE . 26.7 ttm180 -124.02 133.28 53.7 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 109.3 -0.63 . . . . 15.0 109.3 -178.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 4.0 t-80 -92.95 114.42 26.97 Favored 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 120.75 -0.38 . . . . 15.0 110.275 -177.286 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -93.51 163.06 25.85 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 115.909 -0.587 . . . . 15.0 110.692 -178.379 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_exo -64.28 -0.59 2.97 Favored 'Trans proline' 0 C--N 1.35 0.632 0 C-N-CA 123.059 2.506 . . . . 15.0 112.432 177.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -75.03 5.66 5.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.837 -0.619 . . . . 15.0 111.012 175.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 61.12 27.2 66.94 Favored Glycine 0 CA--C 1.505 -0.551 0 N-CA-C 109.375 -1.49 . . . . 15.0 109.375 -171.152 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.715 ' HG2' ' CE3' ' A' ' 39' ' ' TRP . 26.8 tpt180 -136.72 132.83 18.67 Favored Pre-proline 0 N--CA 1.441 -0.878 0 CA-C-N 114.221 -0.99 . . . . 15.0 110.849 -168.445 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 8.3 Cg_endo -89.62 112.35 0.52 Allowed 'Trans proline' 0 N--CA 1.449 -1.13 0 C-N-CA 122.445 2.097 . . . . 15.0 110.736 168.079 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.528 ' HD1' ' H ' ' A' ' 28' ' ' PHE . 0.9 OUTLIER -95.5 139.47 31.73 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.21 -0.663 . . . . 15.0 109.21 179.303 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.651 ' HB2' ' OG1' ' A' ' 38' ' ' THR . 92.2 m-85 -89.75 131.13 35.86 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.003 -0.544 . . . . 15.0 110.169 -174.316 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.646 ' HB ' ' CE1' ' B' ' 117' ' ' TYR . 0.0 OUTLIER -139.62 112.81 6.03 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.405 0 N-CA-C 115.029 1.492 . . . . 15.0 115.029 -172.738 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.464 ' HB2' ' CD2' ' A' ' 17' ' ' TRP . 9.9 t0 -89.99 129.45 36.32 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.571 -0.74 . . . . 15.0 110.81 178.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 62.0 m-70 -88.98 -18.64 26.99 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.472 -0.785 . . . . 15.0 111.723 -176.149 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -91.61 -20.09 22.02 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.35 -0.54 . . . . 15.0 111.854 -171.576 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.0 m -117.23 -4.01 11.44 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.84 -0.344 . . . . 15.0 111.04 176.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 48.3 mmtm 58.32 73.57 0.47 Allowed 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 122.88 0.472 . . . . 15.0 111.315 -176.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.9 p -146.52 150.09 34.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.398 -0.365 . . . . 15.0 111.439 -178.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.429 HG21 ' O ' ' B' ' 115' ' ' PRO . 9.0 t -131.74 147.87 52.53 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.078 -0.51 . . . . 15.0 109.94 177.123 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.651 ' OG1' ' HB2' ' A' ' 29' ' ' PHE . 34.2 p -144.08 149.99 37.46 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.303 -0.408 . . . . 15.0 110.454 -176.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.715 ' CE3' ' HG2' ' A' ' 26' ' ' ARG . 95.1 m95 -95.38 -33.87 12.34 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.337 -0.616 . . . . 15.0 109.337 171.356 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -88.56 140.57 29.32 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.614 -0.721 . . . . 15.0 109.656 174.678 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.422 ' HA ' ' HD2' ' A' ' 42' ' ' PRO . 9.8 t70 -54.48 121.9 35.22 Favored Pre-proline 0 C--N 1.327 -0.381 0 O-C-N 123.501 0.501 . . . . 15.0 110.508 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.687 ' HG2' ' HG2' ' A' ' 14' ' ' PRO . 11.2 Cg_endo . . . . . 0 C--N 1.347 0.479 0 C-N-CA 123.714 2.943 . . . . 15.0 114.609 -177.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 114' ' ' PRO . . . . . 0.479 ' HA ' ' HD3' ' B' ' 115' ' ' PRO . 73.7 Cg_endo . . . . . 0 C--O 1.234 0.321 0 CA-C-O 120.852 0.272 . . . . 15.0 112.366 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 115' ' ' PRO . . . . . 0.479 ' HD3' ' HA ' ' B' ' 114' ' ' PRO . 6.3 Cg_exo -79.41 135.48 11.9 Favored 'Trans proline' 0 N--CA 1.461 -0.43 0 C-N-CA 123.117 2.545 . . . . 15.0 111.788 178.18 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -65.27 136.53 56.7 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.395 -0.965 . . . . 15.0 108.395 174.137 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 117' ' ' TYR . . . . . 0.646 ' CE1' ' HB ' ' A' ' 30' ' ' ILE . 45.3 t80 -104.25 126.17 51.13 Favored 'General case' 0 C--N 1.316 -0.878 0 C-N-CA 120.11 -0.636 . . . . 15.0 112.623 -170.526 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 118' ' ' MET . . . . . . . . . . . . . 12.7 tpt -163.35 91.53 0.7 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.13 -0.941 . . . . 15.0 109.111 166.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 -125.99 109.31 12.29 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 114.585 -1.189 . . . . 15.0 110.308 -175.389 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.97 0 CA-C-O 118.475 -0.774 . . . . 15.0 110.003 -179.482 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.723 ' HG2' ' HB2' ' A' ' 42' ' ' PRO . 15.3 Cg_exo . . . . . 0 CA--C 1.529 0.242 0 CA-C-O 121.089 0.37 . . . . 15.0 112.611 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -76.08 11.82 1.35 Allowed 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 112.925 0.713 . . . . 15.0 112.925 -169.529 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.502 ' O ' ' HA ' ' A' ' 31' ' ' ASP . . . -114.14 -6.89 19.93 Favored Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 120.384 -0.912 . . . . 15.0 111.887 175.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.657 ' CE2' ' HB2' ' A' ' 31' ' ' ASP . 65.0 m95 -111.19 129.5 55.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.399 0.619 . . . . 15.0 112.183 -171.473 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -94.68 147.87 22.86 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.005 -0.998 . . . . 15.0 110.325 173.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.453 HG13 ' O ' ' A' ' 19' ' ' VAL . 7.4 p -97.77 90.96 2.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 121.652 0.739 . . . . 15.0 110.044 177.182 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' A' ' 20' ' ' ARG . 3.7 tpp180 -96.4 125.59 41.0 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.555 -0.535 . . . . 15.0 109.555 -178.083 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.471 ' HA ' ' HA ' ' A' ' 27' ' ' PRO . 7.7 t-80 -90.2 128.46 36.38 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.8 0.333 . . . . 15.0 110.744 -174.54 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -108.98 160.72 26.36 Favored Pre-proline 0 C--N 1.327 -0.405 0 CA-C-N 116.182 -0.463 . . . . 15.0 110.375 178.008 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_exo -64.36 3.65 0.77 Allowed 'Trans proline' 0 C--N 1.35 0.651 0 C-N-CA 123.185 2.59 . . . . 15.0 112.79 176.535 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -71.14 -3.15 18.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.827 -0.624 . . . . 15.0 111.105 175.085 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 69.73 12.86 68.1 Favored Glycine 0 N--CA 1.448 -0.517 0 N-CA-C 109.358 -1.497 . . . . 15.0 109.358 -168.222 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.478 ' HG2' ' HE3' ' A' ' 39' ' ' TRP . 19.5 ttp180 -130.56 132.62 24.1 Favored Pre-proline 0 N--CA 1.44 -0.937 0 CA-C-N 113.884 -1.158 . . . . 15.0 109.803 -172.463 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.471 ' HA ' ' HA ' ' A' ' 21' ' ' HIS . 7.0 Cg_endo -89.66 119.08 0.84 Allowed 'Trans proline' 0 N--CA 1.445 -1.348 0 C-N-CA 121.976 1.784 . . . . 15.0 110.695 170.242 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 49.0 p90 -89.69 137.59 32.2 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 108.944 -0.761 . . . . 15.0 108.944 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.436 ' O ' ' HA ' ' A' ' 37' ' ' THR . 96.8 m-85 -90.1 139.39 30.67 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 116.077 -0.51 . . . . 15.0 110.214 -175.684 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.604 ' HB ' ' CE2' ' B' ' 117' ' ' TYR . 10.4 pt -138.17 126.29 30.37 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.491 0 N-CA-C 114.016 1.117 . . . . 15.0 114.016 -177.69 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.657 ' HB2' ' CE2' ' A' ' 17' ' ' TRP . 15.9 t70 -89.82 132.25 35.35 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 115.175 -0.92 . . . . 15.0 109.891 179.459 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 61.6 m-70 -95.17 -22.65 17.71 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 113.109 0.781 . . . . 15.0 113.109 -174.132 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -81.76 -30.01 32.58 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 120.26 -0.576 . . . . 15.0 109.884 -177.576 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 18.0 p -134.9 103.7 5.7 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 108.174 -1.047 . . . . 15.0 108.174 170.189 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.536 ' HB3' ' CD1' ' B' ' 117' ' ' TYR . 11.7 mmmt -57.68 97.19 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 116.523 -0.308 . . . . 15.0 111.669 -166.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.7 p -145.03 150.0 36.1 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.838 -0.619 . . . . 15.0 110.622 -179.6 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.436 ' HA ' ' O ' ' A' ' 29' ' ' PHE . 10.2 t -129.03 144.94 51.35 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-O 120.685 0.279 . . . . 15.0 111.287 -177.475 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.523 ' HB ' ' OE2' ' A' ' 40' ' ' GLU . 66.4 p -133.01 150.06 52.18 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.229 -0.441 . . . . 15.0 110.695 178.314 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.478 ' HE3' ' HG2' ' A' ' 26' ' ' ARG . 99.8 m95 -93.85 -19.93 20.53 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.058 0.456 . . . . 15.0 109.974 174.616 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.523 ' OE2' ' HB ' ' A' ' 38' ' ' THR . 0.0 OUTLIER -103.8 144.5 31.41 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.734 -0.666 . . . . 15.0 110.159 175.674 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.423 ' HA ' ' HD2' ' A' ' 42' ' ' PRO . 7.2 t70 -58.52 123.15 65.42 Favored Pre-proline 0 C--N 1.324 -0.536 0 CA-C-N 115.37 -0.832 . . . . 15.0 111.392 -172.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.723 ' HB2' ' HG2' ' A' ' 14' ' ' PRO . 12.0 Cg_endo . . . . . 0 C--N 1.348 0.506 0 C-N-CA 122.926 2.417 . . . . 15.0 114.05 177.251 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 114' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_exo . . . . . 0 C--O 1.235 0.372 0 N-CA-C 110.929 -0.45 . . . . 15.0 110.929 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 115' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -60.14 130.17 33.22 Favored 'Trans proline' 0 N--CA 1.461 -0.4 0 C-N-CA 122.624 2.216 . . . . 15.0 112.194 -178.198 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 116' ' ' GLU . . . . . 0.519 ' CD ' ' H ' ' B' ' 116' ' ' GLU . 1.3 mp0 -56.07 133.98 52.31 Favored 'General case' 0 CA--C 1.516 -0.362 0 N-CA-C 108.664 -0.865 . . . . 15.0 108.664 175.043 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 117' ' ' TYR . . . . . 0.604 ' CE2' ' HB ' ' A' ' 30' ' ' ILE . 0.3 OUTLIER -107.3 119.88 40.61 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-O 121.377 0.608 . . . . 15.0 111.227 -169.89 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 118' ' ' MET . . . . . 0.426 ' N ' ' HD1' ' B' ' 117' ' ' TYR . 12.1 tmm? -160.03 105.75 1.56 Allowed 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 106.83 -1.545 . . . . 15.0 106.83 166.306 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 18.6 tp10 -173.49 123.52 0.37 Allowed 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.511 -0.768 . . . . 15.0 109.136 -168.357 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.875 0 CA-C-O 118.673 -0.679 . . . . 15.0 111.174 -179.056 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.917 ' HG2' ' HB2' ' A' ' 42' ' ' PRO . 67.4 Cg_exo . . . . . 0 N--CA 1.473 0.293 0 N-CA-C 113.326 0.472 . . . . 15.0 113.326 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 54.5 mttm -65.64 120.72 13.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.682 -0.69 . . . . 15.0 110.676 -178.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 116.74 -15.21 14.3 Favored Glycine 0 N--CA 1.449 -0.46 0 N-CA-C 111.437 -0.665 . . . . 15.0 111.437 -177.4 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.648 ' CD1' ' HB2' ' A' ' 14' ' ' PRO . 69.6 m95 -99.34 128.95 45.51 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.31 0.576 . . . . 15.0 110.503 178.758 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.416 ' HB2' HG13 ' A' ' 30' ' ' ILE . 48.7 mm-40 -95.92 142.61 27.95 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 115.625 -0.716 . . . . 15.0 110.028 175.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 9.9 p -96.52 107.72 20.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.7 0.762 . . . . 15.0 110.068 175.082 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 21.9 tpp180 -109.36 126.01 52.97 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.996 -0.742 . . . . 15.0 108.996 -179.59 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.402 ' HA ' ' HA ' ' A' ' 27' ' ' PRO . 7.7 t-80 -91.95 120.16 32.35 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.89 0.376 . . . . 15.0 110.999 -174.574 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.452 ' HB1' ' HD2' ' A' ' 23' ' ' PRO . . . -92.59 161.62 31.69 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-N 115.832 -0.622 . . . . 15.0 110.841 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.452 ' HD2' ' HB1' ' A' ' 22' ' ' ALA . 42.3 Cg_endo -67.67 5.85 0.9 Allowed 'Trans proline' 0 C--N 1.351 0.695 0 C-N-CA 122.923 2.415 . . . . 15.0 112.478 176.768 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.51 ' HB3' ' HB3' ' A' ' 26' ' ' ARG . 64.1 t30 -80.93 4.09 20.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.721 -0.672 . . . . 15.0 109.787 176.505 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 63.1 33.28 86.83 Favored Glycine 0 CA--C 1.505 -0.564 0 N-CA-C 109.277 -1.529 . . . . 15.0 109.277 -170.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.705 ' HG2' ' CE3' ' A' ' 39' ' ' TRP . 8.7 tpt180 -142.92 130.73 11.15 Favored Pre-proline 0 N--CA 1.443 -0.776 0 CA-C-N 114.06 -1.07 . . . . 15.0 110.236 -168.343 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 26' ' ' ARG . 8.1 Cg_endo -89.76 124.38 1.27 Allowed 'Trans proline' 0 N--CA 1.453 -0.896 0 C-N-CA 122.178 1.919 . . . . 15.0 111.284 170.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 46.9 p90 -100.31 136.94 39.43 Favored 'General case' 0 N--CA 1.448 -0.531 0 N-CA-C 109.627 -0.509 . . . . 15.0 109.627 177.473 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.482 ' HB2' HG23 ' A' ' 38' ' ' THR . 80.8 m-85 -89.49 133.45 34.56 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.582 -0.735 . . . . 15.0 110.179 -175.199 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.881 ' HB ' ' HE2' ' B' ' 117' ' ' TYR . 15.1 pt -136.02 127.5 44.14 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.643 0 N-CA-C 114.756 1.391 . . . . 15.0 114.756 -174.211 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.64 ' HB2' ' CE2' ' A' ' 17' ' ' TRP . 11.2 t70 -98.03 129.56 44.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 114.936 -1.029 . . . . 15.0 111.0 -179.124 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.425 ' HE1' ' OE1' ' B' ' 119' ' ' GLU . 93.7 m-70 -87.07 -17.6 32.51 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.196 -0.456 . . . . 15.0 111.164 -179.205 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 43.6 m-80 -71.91 -59.07 2.94 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.069 0.461 . . . . 15.0 110.799 -175.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -100.36 0.49 40.07 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.773 -0.649 . . . . 15.0 111.719 -171.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.409 ' HA ' ' CD1' ' B' ' 117' ' ' TYR . 47.7 mmtm 57.71 81.12 0.15 Allowed 'General case' 0 C--O 1.232 0.143 0 CA-C-O 120.998 0.428 . . . . 15.0 110.237 -174.614 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 28.0 m -149.73 145.41 26.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.346 -0.388 . . . . 15.0 111.363 -175.079 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.687 HG21 ' HG2' ' B' ' 115' ' ' PRO . 25.6 m -124.81 140.16 53.18 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 116.07 -0.514 . . . . 15.0 110.3 179.368 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.532 HG22 ' CZ3' ' A' ' 17' ' ' TRP . 5.2 t -147.3 139.82 24.73 Favored 'General case' 0 C--O 1.223 -0.315 0 CA-C-O 120.796 0.332 . . . . 15.0 110.882 177.056 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.705 ' CE3' ' HG2' ' A' ' 26' ' ' ARG . 74.7 m95 -87.49 -15.1 38.55 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.725 -0.472 . . . . 15.0 109.725 175.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 57.1 mm-40 -94.5 132.86 38.74 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.459 -0.791 . . . . 15.0 109.665 176.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -57.39 120.07 37.22 Favored Pre-proline 0 C--N 1.326 -0.417 0 O-C-N 123.614 0.571 . . . . 15.0 110.337 -179.505 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.917 ' HB2' ' HG2' ' A' ' 14' ' ' PRO . 45.9 Cg_exo . . . . . 0 C--N 1.349 0.576 0 C-N-CA 122.979 2.453 . . . . 15.0 114.126 -177.673 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 114' ' ' PRO . . . . . 0.45 ' HA ' ' HD2' ' B' ' 115' ' ' PRO . 50.0 Cg_exo . . . . . 0 C--O 1.232 0.203 0 CA-C-O 120.792 0.247 . . . . 15.0 112.266 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 115' ' ' PRO . . . . . 0.687 ' HG2' HG21 ' A' ' 37' ' ' THR . 21.2 Cg_endo -61.15 132.7 42.89 Favored 'Trans proline' 0 C--O 1.237 0.431 0 C-N-CA 122.878 2.385 . . . . 15.0 112.308 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 116' ' ' GLU . . . . . 0.472 ' H ' ' CD ' ' B' ' 116' ' ' GLU . 1.2 pm0 -63.22 119.87 10.44 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.083 -0.71 . . . . 15.0 109.083 176.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 117' ' ' TYR . . . . . 0.881 ' HE2' ' HB ' ' A' ' 30' ' ' ILE . 36.7 t80 -90.23 129.0 36.54 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 112.952 0.723 . . . . 15.0 112.952 -168.174 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 118' ' ' MET . . . . . 0.409 ' O ' ' HG3' ' B' ' 118' ' ' MET . 14.8 ptm -162.46 103.65 1.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.904 -1.044 . . . . 15.0 108.718 165.451 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 119' ' ' GLU . . . . . 0.425 ' OE1' ' HE1' ' A' ' 32' ' ' HIS . 0.5 OUTLIER -156.87 111.15 2.72 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.136 -0.69 . . . . 15.0 109.136 -175.117 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.281 -0.866 . . . . 15.0 110.839 -177.161 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.413 ' HB2' ' CD1' ' A' ' 17' ' ' TRP . 10.4 Cg_exo . . . . . 0 N--CA 1.463 -0.291 0 CA-C-O 120.81 0.254 . . . . 15.0 111.845 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.665 ' HE3' ' HA ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -74.52 10.52 1.3 Allowed 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.965 0.728 . . . . 15.0 112.965 -171.334 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.596 ' O ' ' HA ' ' A' ' 31' ' ' ASP . . . -101.38 -14.9 29.08 Favored Glycine 0 N--CA 1.444 -0.801 0 C-N-CA 120.377 -0.916 . . . . 15.0 111.445 172.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.718 ' CE2' ' HB2' ' A' ' 31' ' ' ASP . 75.8 m95 -105.64 131.82 52.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.318 0.58 . . . . 15.0 111.989 -171.499 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -109.27 149.68 29.07 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.158 -0.928 . . . . 15.0 109.097 174.551 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 20.5 t -103.25 105.39 18.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 120.869 0.366 . . . . 15.0 110.291 -178.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.439 ' HD2' ' CZ ' ' A' ' 28' ' ' PHE . 40.4 ttm180 -109.9 127.39 54.7 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.993 -0.373 . . . . 15.0 109.993 179.71 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.652 ' HA ' ' HA ' ' A' ' 27' ' ' PRO . 35.8 t-80 -89.85 119.84 30.58 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.052 0.453 . . . . 15.0 110.266 -176.079 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.404 ' C ' ' H ' ' A' ' 24' ' ' ASN . . . -98.5 163.74 18.46 Favored Pre-proline 0 C--N 1.322 -0.621 0 CA-C-N 115.64 -0.709 . . . . 15.0 110.978 -176.48 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_exo -67.33 10.64 0.24 Allowed 'Trans proline' 0 C--N 1.35 0.617 0 C-N-CA 123.311 2.674 . . . . 15.0 112.752 177.108 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.404 ' H ' ' C ' ' A' ' 22' ' ' ALA . 0.9 OUTLIER -80.1 6.52 11.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 15.0 110.321 174.686 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 62.29 25.73 66.99 Favored Glycine 0 N--CA 1.446 -0.665 0 N-CA-C 109.773 -1.331 . . . . 15.0 109.773 -168.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.586 ' HG2' ' HE3' ' A' ' 39' ' ' TRP . 47.3 ttt180 -149.66 135.95 10.47 Favored Pre-proline 0 N--CA 1.441 -0.889 0 CA-C-N 114.63 -0.785 . . . . 15.0 110.873 -168.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.652 ' HA ' ' HA ' ' A' ' 21' ' ' HIS . 32.4 Cg_endo -89.87 127.73 1.57 Allowed 'Trans proline' 0 N--CA 1.454 -0.836 0 C-N-CA 122.554 2.169 . . . . 15.0 111.836 173.51 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.439 ' CZ ' ' HD2' ' A' ' 20' ' ' ARG . 2.6 p90 -99.09 146.52 26.0 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-O 121.298 0.57 . . . . 15.0 109.955 176.248 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -96.03 135.47 37.76 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 115.41 -0.813 . . . . 15.0 109.641 -178.567 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.802 ' HB ' ' CE2' ' B' ' 117' ' ' TYR . 18.0 pt -136.67 121.36 25.33 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.576 0 N-CA-C 114.448 1.277 . . . . 15.0 114.448 -174.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.718 ' HB2' ' CE2' ' A' ' 17' ' ' TRP . 8.5 t70 -90.1 131.49 35.93 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.706 -0.679 . . . . 15.0 110.8 178.668 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 49.6 m-70 -92.72 -10.88 35.51 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 113.738 1.014 . . . . 15.0 113.738 -173.573 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -108.68 -13.02 14.87 Favored 'General case' 0 N--CA 1.465 0.325 0 C-N-CA 119.677 -0.809 . . . . 15.0 111.946 -175.807 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.7 m -118.3 -8.39 10.58 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.108 -0.496 . . . . 15.0 110.634 178.325 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.526 ' HA ' ' CE1' ' B' ' 117' ' ' TYR . 14.2 mptt 56.02 78.13 0.21 Allowed 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 115.734 -0.666 . . . . 15.0 111.932 -177.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.2 p -149.94 150.2 31.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.028 -0.533 . . . . 15.0 111.431 -178.138 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 35.8 m -131.48 134.52 46.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.048 -0.524 . . . . 15.0 110.387 177.397 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.552 HG22 ' CZ3' ' A' ' 17' ' ' TRP . 8.8 t -138.48 149.21 45.19 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.843 0.354 . . . . 15.0 110.259 176.541 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.586 ' HE3' ' HG2' ' A' ' 26' ' ' ARG . 86.0 m95 -95.65 -7.17 38.31 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.149 0.499 . . . . 15.0 109.918 179.715 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -102.37 132.66 48.22 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.744 -0.662 . . . . 15.0 109.745 176.14 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 67.4 t0 -56.35 116.94 14.12 Favored Pre-proline 0 C--N 1.323 -0.557 0 CA-C-N 115.679 -0.692 . . . . 15.0 111.619 -176.475 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo . . . . . 0 C--N 1.352 0.748 0 C-N-CA 122.993 2.462 . . . . 15.0 113.654 179.372 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 114' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_exo . . . . . 0 C--O 1.232 0.224 0 CA-C-O 120.93 0.304 . . . . 15.0 112.289 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 115' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -71.55 139.86 35.11 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.761 2.307 . . . . 15.0 111.623 177.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.0 122.49 16.17 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.589 -0.523 . . . . 15.0 109.589 177.577 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 117' ' ' TYR . . . . . 0.802 ' CE2' ' HB ' ' A' ' 30' ' ' ILE . 38.8 t80 -96.5 121.29 38.16 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.095 0.474 . . . . 15.0 112.036 -170.033 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 118' ' ' MET . . . . . . . . . . . . . 14.5 tpt -152.38 48.87 0.76 Allowed 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 123.05 1.405 . . . . 15.0 108.565 170.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 119' ' ' GLU . . . . . 0.598 ' HB2' ' CZ ' ' B' ' 117' ' ' TYR . 9.8 mm-40 -90.66 120.35 31.65 Favored 'General case' 0 C--N 1.307 -1.268 0 CA-C-N 112.685 -2.052 . . . . 15.0 109.745 -179.099 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.647 -0.692 . . . . 15.0 110.089 176.7 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_exo . . . . . 0 N--CA 1.473 0.298 0 N-CA-C 114.681 0.993 . . . . 15.0 114.681 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 23.3 ttmm -69.34 -22.45 63.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.286 -0.87 . . . . 15.0 110.5 177.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -82.55 -22.77 57.81 Favored Glycine 0 N--CA 1.447 -0.611 0 CA-C-N 115.684 -0.689 . . . . 15.0 112.882 -178.521 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.689 ' CE2' ' HB2' ' A' ' 31' ' ' ASP . 77.0 m95 -103.48 133.3 48.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.103 0.478 . . . . 15.0 110.6 -178.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -114.02 149.58 35.18 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 109.125 -0.695 . . . . 15.0 109.125 176.138 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 21.8 t -105.09 96.77 4.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-O 120.789 0.328 . . . . 15.0 110.377 -178.218 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 40.5 ttm180 -104.5 146.2 29.21 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.584 -0.524 . . . . 15.0 109.584 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.473 ' HA ' ' HA ' ' A' ' 27' ' ' PRO . 12.1 t-80 -96.18 128.26 42.93 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 120.84 -0.344 . . . . 15.0 110.21 -179.73 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.484 ' HB1' ' HD2' ' A' ' 23' ' ' PRO . . . -104.18 162.98 18.25 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-N 116.087 -0.506 . . . . 15.0 110.805 -179.05 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.484 ' HD2' ' HB1' ' A' ' 22' ' ' ALA . 36.8 Cg_endo -66.22 6.15 0.56 Allowed 'Trans proline' 0 C--N 1.352 0.748 0 C-N-CA 123.105 2.536 . . . . 15.0 112.453 175.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.401 ' H ' ' C ' ' A' ' 22' ' ' ALA . 39.9 m-80 -79.81 11.34 3.31 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.602 -0.726 . . . . 15.0 110.553 176.528 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 57.98 34.15 71.3 Favored Glycine 0 CA--C 1.504 -0.628 0 N-CA-C 109.886 -1.286 . . . . 15.0 109.886 -173.363 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.545 ' HG2' ' CE3' ' A' ' 39' ' ' TRP . 9.1 ttt180 -155.05 142.63 13.99 Favored Pre-proline 0 N--CA 1.441 -0.891 0 CA-C-N 114.824 -0.688 . . . . 15.0 111.04 -167.703 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.473 ' HA ' ' HA ' ' A' ' 21' ' ' HIS . 1.9 Cg_endo -89.4 132.15 2.14 Favored 'Trans proline' 0 N--CA 1.459 -0.556 0 C-N-CA 122.592 2.195 . . . . 15.0 111.301 169.455 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.457 ' CE1' ' HB2' ' A' ' 22' ' ' ALA . 8.4 p90 -112.9 138.52 49.64 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.962 -0.563 . . . . 15.0 109.777 -179.839 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.409 ' O ' ' HA ' ' A' ' 37' ' ' THR . 89.4 m-85 -89.65 136.9 32.76 Favored 'General case' 0 CA--C 1.509 -0.619 0 CA-C-N 115.812 -0.631 . . . . 15.0 109.635 -177.12 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 1.029 ' HB ' ' HE2' ' B' ' 117' ' ' TYR . 21.2 pt -136.85 124.34 32.04 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.501 0 N-CA-C 115.286 1.587 . . . . 15.0 115.286 -173.638 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.689 ' HB2' ' CE2' ' A' ' 17' ' ' TRP . 14.7 t70 -94.07 125.61 38.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 114.676 -1.147 . . . . 15.0 110.828 179.276 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 -85.13 -7.03 59.26 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.318 -0.401 . . . . 15.0 111.672 -178.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 48.8 m-80 -83.33 -40.19 19.79 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 111.924 0.342 . . . . 15.0 111.924 -171.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.3 m -122.52 6.85 9.51 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.642 -0.254 . . . . 15.0 111.432 -175.123 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.492 ' HA ' ' CD1' ' B' ' 117' ' ' TYR . 38.3 mmtm 59.54 73.48 0.48 Allowed 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 116.456 -0.338 . . . . 15.0 110.378 -172.597 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -137.29 150.12 47.56 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.649 -0.25 . . . . 15.0 110.997 -175.59 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.409 ' HA ' ' O ' ' A' ' 29' ' ' PHE . 9.3 t -142.06 145.45 34.36 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.778 0.323 . . . . 15.0 110.631 178.199 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.402 ' OG1' ' HB2' ' A' ' 29' ' ' PHE . 80.8 p -135.56 145.21 46.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.363 -0.381 . . . . 15.0 110.919 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.545 ' CE3' ' HG2' ' A' ' 26' ' ' ARG . 97.9 m95 -88.94 -12.87 40.4 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.599 0.714 . . . . 15.0 109.273 172.786 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -107.69 140.84 40.12 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 114.809 -1.087 . . . . 15.0 109.499 178.675 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -65.91 117.09 38.81 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-N 116.609 -0.269 . . . . 15.0 110.499 176.16 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo . . . . . 0 C--O 1.218 -0.484 0 C-N-CA 122.405 2.07 . . . . 15.0 113.031 179.42 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 114' ' ' PRO . . . . . 0.528 ' HA ' ' HD3' ' B' ' 115' ' ' PRO . 30.2 Cg_endo . . . . . 0 C--O 1.234 0.296 0 CA-C-O 120.963 0.318 . . . . 15.0 112.245 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 115' ' ' PRO . . . . . 0.528 ' HD3' ' HA ' ' B' ' 114' ' ' PRO . 3.5 Cg_exo -80.68 136.51 10.85 Favored 'Trans proline' 0 N--CA 1.46 -0.458 0 C-N-CA 123.09 2.526 . . . . 15.0 112.166 -179.017 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -66.27 122.96 18.65 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.422 -0.584 . . . . 15.0 109.422 173.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 117' ' ' TYR . . . . . 1.029 ' HE2' ' HB ' ' A' ' 30' ' ' ILE . 18.8 t80 -88.12 121.13 30.16 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 120.293 -0.563 . . . . 15.0 111.797 -172.656 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 118' ' ' MET . . . . . . . . . . . . . 56.9 ttp -155.19 88.38 1.16 Allowed 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.271 -0.877 . . . . 15.0 109.279 165.681 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 68.7 mm-40 -128.82 105.56 8.32 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 114.603 -1.18 . . . . 15.0 110.242 -176.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.876 0 CA-C-O 118.403 -0.808 . . . . 15.0 110.291 178.871 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.812 ' HG2' ' HB2' ' A' ' 42' ' ' PRO . 19.4 Cg_exo . . . . . 0 N--CA 1.463 -0.279 0 CA-C-O 120.329 0.054 . . . . 15.0 111.966 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.7 tppp? -52.76 111.32 0.64 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.945 0.402 . . . . 15.0 111.004 -178.199 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 123.25 -19.58 7.65 Favored Glycine 0 N--CA 1.446 -0.668 0 CA-C-N 115.699 -0.682 . . . . 15.0 111.612 -178.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.655 ' HA ' ' O ' ' A' ' 30' ' ' ILE . 75.1 m95 -100.91 129.63 46.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.331 0.586 . . . . 15.0 111.239 179.493 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.44 ' O ' HG12 ' A' ' 30' ' ' ILE . 21.3 mt-10 -108.05 150.11 27.58 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.006 -0.997 . . . . 15.0 109.473 175.099 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 8.9 p -108.47 118.01 55.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 C-N-CA 120.063 -0.655 . . . . 15.0 110.784 177.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.551 ' HD2' ' CZ ' ' A' ' 28' ' ' PHE . 9.1 ttm180 -118.08 136.8 53.35 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.037 -0.727 . . . . 15.0 109.037 176.696 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 5.3 t-80 -90.13 123.7 34.19 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 120.619 -0.432 . . . . 15.0 110.07 -178.494 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.49 ' HB1' ' HD2' ' A' ' 23' ' ' PRO . . . -86.81 176.41 3.55 Favored Pre-proline 0 C--N 1.323 -0.575 0 CA-C-N 115.604 -0.725 . . . . 15.0 110.852 -177.842 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.49 ' HD2' ' HB1' ' A' ' 22' ' ' ALA . 32.9 Cg_exo -59.5 -23.0 68.96 Favored 'Trans proline' 0 C--N 1.355 0.872 0 C-N-CA 122.057 1.838 . . . . 15.0 110.912 168.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.403 ' C ' ' H ' ' A' ' 26' ' ' ARG . 42.2 m-80 -60.35 145.58 47.29 Favored 'General case' 0 CA--C 1.515 -0.368 0 CA-C-N 114.937 -1.029 . . . . 15.0 109.957 169.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.88 46.49 1.17 Allowed Glycine 0 N--CA 1.453 -0.226 0 N-CA-C 110.112 -1.195 . . . . 15.0 110.112 170.41 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.566 ' HG2' ' HE3' ' A' ' 39' ' ' TRP . 44.6 ttt180 -158.28 131.99 4.9 Favored Pre-proline 0 N--CA 1.44 -0.971 0 CA-C-N 114.426 -0.887 . . . . 15.0 109.502 -168.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 26' ' ' ARG . 8.4 Cg_endo -89.45 131.44 2.05 Favored 'Trans proline' 0 N--CA 1.456 -0.724 0 C-N-CA 122.373 2.049 . . . . 15.0 111.617 172.686 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.551 ' CZ ' ' HD2' ' A' ' 20' ' ' ARG . 7.4 p90 -94.55 145.83 24.53 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.269 -0.573 . . . . 15.0 109.885 177.291 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -96.82 133.52 41.31 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.511 -0.768 . . . . 15.0 109.671 -178.383 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.655 ' O ' ' HA ' ' A' ' 17' ' ' TRP . 7.2 pt -132.35 123.78 50.75 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.539 0 N-CA-C 115.287 1.588 . . . . 15.0 115.287 -173.422 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.602 ' HB2' ' CE2' ' A' ' 17' ' ' TRP . 8.1 t70 -90.14 128.21 36.28 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 114.437 -1.256 . . . . 15.0 110.258 176.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 55.6 m-70 -91.68 -2.02 57.2 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.18 0.437 . . . . 15.0 112.18 -178.31 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 49.7 m-80 -81.34 -44.43 17.64 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.733 0.302 . . . . 15.0 110.375 -176.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 13.4 t -121.92 -0.19 9.6 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.188 -0.46 . . . . 15.0 110.782 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.83 ' HD3' ' HA ' ' B' ' 118' ' ' MET . 61.0 mttp 55.21 89.82 0.03 OUTLIER 'General case' 0 CA--C 1.526 0.055 0 CA-C-N 115.635 -0.711 . . . . 15.0 112.138 -176.301 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 39.1 m -146.46 134.03 20.95 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.58 -0.737 . . . . 15.0 110.693 176.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.771 HG21 ' HG2' ' B' ' 115' ' ' PRO . 37.8 p -96.87 129.07 44.37 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.456 -0.338 . . . . 15.0 111.277 178.448 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 68.7 p -122.56 135.59 54.67 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.884 -0.413 . . . . 15.0 109.884 174.301 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.566 ' HE3' ' HG2' ' A' ' 26' ' ' ARG . 97.1 m95 -87.72 -11.73 47.36 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.451 0.643 . . . . 15.0 109.305 174.655 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.7 mp0 -95.74 131.21 42.26 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.967 -1.015 . . . . 15.0 109.272 174.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -62.11 122.34 71.84 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 116.411 -0.359 . . . . 15.0 110.194 179.208 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.812 ' HB2' ' HG2' ' A' ' 14' ' ' PRO . 52.9 Cg_exo . . . . . 0 CA--C 1.535 0.544 0 C-N-CA 123.063 2.508 . . . . 15.0 114.463 -176.661 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 114' ' ' PRO . . . . . 0.412 ' HA ' ' HD2' ' B' ' 115' ' ' PRO . 2.0 Cg_endo . . . . . 0 N--CA 1.458 -0.564 0 N-CA-C 111.272 -0.318 . . . . 15.0 111.272 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 115' ' ' PRO . . . . . 0.771 ' HG2' HG21 ' A' ' 37' ' ' THR . 41.0 Cg_endo -68.97 143.99 56.64 Favored 'Trans proline' 0 C--O 1.236 0.378 0 C-N-CA 122.623 2.215 . . . . 15.0 111.999 179.003 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 116' ' ' GLU . . . . . 0.502 ' CD ' ' H ' ' B' ' 116' ' ' GLU . 1.4 pm0 -66.62 120.0 12.7 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.639 -0.504 . . . . 15.0 109.639 178.011 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 117' ' ' TYR . . . . . 0.636 ' CE2' ' HB ' ' A' ' 30' ' ' ILE . 1.0 OUTLIER -103.96 120.26 40.67 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.283 0.563 . . . . 15.0 112.244 -168.443 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 118' ' ' MET . . . . . 0.83 ' HA ' ' HD3' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -162.23 95.45 0.94 Allowed 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 115.251 -0.886 . . . . 15.0 109.632 165.451 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 119' ' ' GLU . . . . . 0.405 ' OE1' HD12 ' A' ' 30' ' ' ILE . 49.3 mt-10 -105.91 -87.37 0.46 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.438 0.637 . . . . 15.0 109.339 177.053 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.883 0 CA-C-N 114.916 -1.038 . . . . 15.0 108.47 176.348 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.441 ' HG2' ' HB2' ' A' ' 42' ' ' PRO . 1.4 Cg_exo . . . . . 0 C--O 1.235 0.347 0 N-CA-C 114.942 1.093 . . . . 15.0 114.942 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.3 tmmm? -62.07 118.7 7.67 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.032 -0.729 . . . . 15.0 109.032 172.114 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 121.49 -13.22 9.45 Favored Glycine 0 N--CA 1.446 -0.666 0 N-CA-C 111.349 -0.7 . . . . 15.0 111.349 -176.455 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.501 ' HA ' ' O ' ' A' ' 30' ' ' ILE . 73.1 m95 -108.92 121.95 46.19 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.419 0.628 . . . . 15.0 110.548 176.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.68 ' HB2' HG13 ' A' ' 30' ' ' ILE . 0.4 OUTLIER -89.96 150.09 22.3 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 114.572 -1.194 . . . . 15.0 110.276 178.497 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 10.3 p -100.64 106.59 19.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 122.255 1.026 . . . . 15.0 109.995 171.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.49 ' HB3' ' CE1' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -105.03 121.14 43.16 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 114.6 -1.182 . . . . 15.0 109.21 -177.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.427 ' HA ' ' HA ' ' A' ' 27' ' ' PRO . 9.0 t-80 -90.17 120.41 31.32 Favored 'General case' 0 C--N 1.317 -0.841 0 C-N-CA 120.105 -0.638 . . . . 15.0 110.728 -176.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.445 ' C ' ' H ' ' A' ' 24' ' ' ASN . . . -98.37 161.19 26.11 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-N 116.115 -0.493 . . . . 15.0 110.854 -179.495 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -68.58 14.1 0.2 Allowed 'Trans proline' 0 C--N 1.349 0.582 0 C-N-CA 123.107 2.538 . . . . 15.0 112.459 174.627 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.445 ' H ' ' C ' ' A' ' 22' ' ' ALA . 43.1 m-80 -84.05 8.61 14.84 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.537 -0.756 . . . . 15.0 109.896 174.717 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 60.15 27.77 65.59 Favored Glycine 0 CA--C 1.505 -0.59 0 N-CA-C 109.702 -1.359 . . . . 15.0 109.702 -171.113 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.595 ' HG2' ' HE3' ' A' ' 39' ' ' TRP . 55.7 ttt180 -150.08 137.74 11.77 Favored Pre-proline 0 N--CA 1.44 -0.934 0 CA-C-N 114.866 -0.667 . . . . 15.0 110.577 -168.403 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.427 ' HA ' ' HA ' ' A' ' 21' ' ' HIS . 10.0 Cg_endo -89.51 125.73 1.47 Allowed 'Trans proline' 0 N--CA 1.454 -0.84 0 C-N-CA 122.479 2.12 . . . . 15.0 112.19 172.612 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.49 ' CE1' ' HB3' ' A' ' 20' ' ' ARG . 27.0 p90 -97.74 140.09 32.64 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.148 -0.686 . . . . 15.0 109.148 175.543 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -90.05 137.48 32.31 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.979 -0.555 . . . . 15.0 110.126 -174.5 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.68 HG13 ' HB2' ' A' ' 18' ' ' GLU . 3.6 pt -132.95 123.98 49.41 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.583 0 N-CA-C 116.758 2.133 . . . . 15.0 116.758 -171.006 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.08 130.96 36.18 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 114.098 -1.41 . . . . 15.0 109.54 172.641 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 45.1 m-70 -99.56 -1.9 37.1 Favored 'General case' 0 C--N 1.317 -0.812 0 C-N-CA 120.648 -0.421 . . . . 15.0 111.85 -178.347 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 37.0 m-80 -78.9 -42.5 27.01 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 120.729 0.3 . . . . 15.0 111.053 -176.101 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.7 t -127.44 11.78 6.89 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.658 0.266 . . . . 15.0 110.685 179.624 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.463 ' HD2' ' CE1' ' B' ' 117' ' ' TYR . 47.5 mmtm 54.13 72.58 0.44 Allowed 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 115.716 -0.675 . . . . 15.0 111.738 -177.781 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 15.9 p -135.2 147.53 49.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.936 -0.575 . . . . 15.0 110.493 175.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.1 t -136.52 150.09 48.47 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.722 0.296 . . . . 15.0 111.291 -174.348 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -143.65 149.97 38.06 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.356 -0.609 . . . . 15.0 109.356 177.656 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.595 ' HE3' ' HG2' ' A' ' 26' ' ' ARG . 83.8 m95 -97.4 -10.5 25.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.861 0.362 . . . . 15.0 111.132 -177.257 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 20.4 mp0 -78.34 -93.94 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.877 -0.601 . . . . 15.0 109.819 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.403 ' HA ' ' HD2' ' A' ' 42' ' ' PRO . 6.5 p-10 -177.02 122.82 0.28 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 115.714 -0.676 . . . . 15.0 109.244 173.054 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.441 ' HB2' ' HG2' ' A' ' 14' ' ' PRO . 12.1 Cg_endo . . . . . 0 C--O 1.22 -0.376 0 C-N-CA 123.692 2.928 . . . . 15.0 114.738 -177.146 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 114' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_endo . . . . . 0 C--O 1.234 0.32 0 CA-C-O 120.869 0.279 . . . . 15.0 111.963 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 115' ' ' PRO . . . . . 0.484 ' HD3' ' HZ2' ' A' ' 39' ' ' TRP . 91.1 Cg_endo -79.52 143.11 16.84 Favored 'Trans proline' 0 C--O 1.235 0.346 0 C-N-CA 122.684 2.256 . . . . 15.0 111.939 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 116' ' ' GLU . . . . . 0.457 ' CD ' ' H ' ' B' ' 116' ' ' GLU . 1.2 pm0 -66.38 120.04 12.64 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.285 -0.635 . . . . 15.0 109.285 176.344 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 117' ' ' TYR . . . . . 0.607 ' HD1' ' N ' ' B' ' 118' ' ' MET . 0.6 OUTLIER -84.49 119.89 25.68 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.295 0.569 . . . . 15.0 111.843 -170.917 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 118' ' ' MET . . . . . 0.607 ' N ' ' HD1' ' B' ' 117' ' ' TYR . 51.3 tpp -170.05 95.45 0.26 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 114.753 -1.112 . . . . 15.0 109.231 164.349 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -158.97 123.35 4.01 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.194 -0.912 . . . . 15.0 109.664 -177.557 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.93 0 CA-C-O 118.419 -0.8 . . . . 15.0 111.597 179.9 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.655 ' HB2' ' CD1' ' A' ' 17' ' ' TRP . 46.8 Cg_exo . . . . . 0 CA--C 1.529 0.229 0 N-CA-C 113.848 0.672 . . . . 15.0 113.848 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.634 ' H ' ' HD3' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -61.58 121.43 12.73 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.829 -0.623 . . . . 15.0 110.672 176.668 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 116.97 -18.02 12.65 Favored Glycine 0 N--CA 1.447 -0.602 0 N-CA-C 111.084 -0.806 . . . . 15.0 111.084 -175.394 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.655 ' CD1' ' HB2' ' A' ' 14' ' ' PRO . 62.3 m95 -102.43 134.52 45.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.332 0.587 . . . . 15.0 110.602 179.62 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.448 ' HB2' HG13 ' A' ' 30' ' ' ILE . 53.8 mm-40 -102.23 149.62 24.12 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.076 -0.966 . . . . 15.0 109.615 174.357 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 8.9 p -104.72 127.25 59.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-O 121.417 0.627 . . . . 15.0 109.459 171.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 43.4 ttm180 -130.65 133.54 46.21 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 109.12 -0.696 . . . . 15.0 109.12 178.621 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 5.7 t-80 -89.83 116.19 27.73 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-O 120.904 0.383 . . . . 15.0 110.255 -176.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.427 ' C ' ' H ' ' A' ' 24' ' ' ASN . . . -91.81 160.51 35.99 Favored Pre-proline 0 C--N 1.322 -0.609 0 CA-C-N 115.837 -0.619 . . . . 15.0 110.532 -178.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_exo -62.2 2.77 0.56 Allowed 'Trans proline' 0 C--N 1.352 0.736 0 C-N-CA 123.042 2.495 . . . . 15.0 112.412 175.14 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.437 ' HB3' ' HB3' ' A' ' 26' ' ' ARG . 3.6 t-20 -71.8 -5.05 31.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.558 -0.747 . . . . 15.0 110.406 175.153 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 69.27 28.93 72.17 Favored Glycine 0 N--CA 1.446 -0.69 0 N-CA-C 109.278 -1.529 . . . . 15.0 109.278 -170.068 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.515 ' HG2' ' HE3' ' A' ' 39' ' ' TRP . 36.7 ttt180 -149.39 139.37 13.27 Favored Pre-proline 0 N--CA 1.44 -0.93 0 CA-C-N 114.55 -0.825 . . . . 15.0 110.835 -169.273 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 26' ' ' ARG . 9.8 Cg_endo -89.52 126.15 1.51 Allowed 'Trans proline' 0 N--CA 1.453 -0.889 0 C-N-CA 122.485 2.123 . . . . 15.0 111.589 172.42 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 12.7 p90 -103.2 137.58 41.16 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.779 -0.452 . . . . 15.0 109.779 178.654 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -89.65 135.7 33.46 Favored 'General case' 0 CA--C 1.51 -0.584 0 CA-C-N 115.845 -0.616 . . . . 15.0 109.747 -175.668 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 1.059 ' HB ' ' HE2' ' B' ' 117' ' ' TYR . 19.2 pt -137.49 123.16 26.0 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.522 0 N-CA-C 115.346 1.61 . . . . 15.0 115.346 -172.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.604 ' HB2' ' CE2' ' A' ' 17' ' ' TRP . 8.8 t70 -90.05 126.11 35.65 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 115.087 -0.96 . . . . 15.0 110.84 178.237 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 67.9 m-70 -87.4 -14.49 40.47 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.36 -0.382 . . . . 15.0 111.197 -178.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 51.7 m-80 -72.49 -60.4 2.25 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.775 0.321 . . . . 15.0 111.185 -174.65 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 73.4 p -103.32 2.85 34.65 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.814 -0.63 . . . . 15.0 111.225 -174.497 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.401 ' HE2' ' SD ' ' B' ' 118' ' ' MET . 48.5 mmtm 60.49 76.42 0.37 Allowed 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 115.93 -0.577 . . . . 15.0 110.966 -179.062 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 14.4 t -149.95 150.39 31.78 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 116.118 -0.492 . . . . 15.0 110.684 -179.612 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.2 t -134.38 150.05 50.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.034 0.445 . . . . 15.0 111.376 -177.175 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.527 HG22 ' CZ3' ' A' ' 17' ' ' TRP . 4.4 t -145.95 142.95 29.19 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.862 -0.608 . . . . 15.0 110.547 177.686 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.515 ' HE3' ' HG2' ' A' ' 26' ' ' ARG . 85.7 m95 -86.88 -14.38 42.13 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.035 0.445 . . . . 15.0 110.1 177.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -104.84 138.44 41.09 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.569 -0.741 . . . . 15.0 109.716 178.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -52.93 115.46 7.41 Favored Pre-proline 0 N--CA 1.465 0.296 0 O-C-N 123.615 0.572 . . . . 15.0 112.033 -178.52 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.621 ' HG2' ' HG2' ' A' ' 14' ' ' PRO . 37.8 Cg_endo . . . . . 0 N--CA 1.461 -0.427 0 C-N-CA 121.605 1.537 . . . . 15.0 112.026 173.524 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 114' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo . . . . . 0 C--O 1.234 0.31 0 CA-C-O 120.95 0.313 . . . . 15.0 111.998 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 115' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -69.07 133.63 27.34 Favored 'Trans proline' 0 C--O 1.234 0.322 0 C-N-CA 122.777 2.318 . . . . 15.0 112.252 -179.34 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -56.72 122.37 11.96 Favored 'General case' 0 C--O 1.233 0.197 0 N-CA-C 109.26 -0.644 . . . . 15.0 109.26 173.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 117' ' ' TYR . . . . . 1.059 ' HE2' ' HB ' ' A' ' 30' ' ' ILE . 9.2 t80 -95.41 123.09 38.77 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 112.902 0.704 . . . . 15.0 112.902 -166.634 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 118' ' ' MET . . . . . 0.401 ' SD ' ' HE2' ' A' ' 35' ' ' LYS . 14.1 tpt -161.45 80.53 0.59 Allowed 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 114.835 -1.075 . . . . 15.0 108.214 162.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 40.8 mm-40 -119.01 124.77 47.79 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 114.082 -1.417 . . . . 15.0 111.235 -170.411 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.058 0 CA-C-N 115.408 -0.815 . . . . 15.0 108.893 174.08 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 25.3 Cg_exo . . . . . 0 N--CA 1.472 0.227 0 N-CA-C 113.609 0.581 . . . . 15.0 113.609 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.8 ptpp? -68.27 -13.07 61.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.274 -0.421 . . . . 15.0 111.05 -179.392 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -82.53 -20.84 61.18 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.94 -0.647 . . . . 15.0 112.155 178.089 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.567 ' HA ' ' O ' ' A' ' 30' ' ' ILE . 74.3 m95 -108.31 142.5 38.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.204 0.526 . . . . 15.0 110.344 -178.529 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -115.57 149.97 37.38 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 109.093 -0.706 . . . . 15.0 109.093 174.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.445 HG13 ' O ' ' A' ' 19' ' ' VAL . 7.5 p -103.17 91.61 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-O 121.768 0.794 . . . . 15.0 110.449 179.588 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.606 ' HD2' ' CZ ' ' A' ' 28' ' ' PHE . 11.6 ttm180 -95.24 123.6 38.84 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.858 -0.793 . . . . 15.0 108.858 179.254 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.455 ' HA ' ' HA ' ' A' ' 27' ' ' PRO . 18.6 t-80 -89.94 127.65 36.07 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.072 0.463 . . . . 15.0 110.838 -172.831 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.408 ' C ' ' H ' ' A' ' 24' ' ' ASN . . . -101.63 161.32 23.89 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 115.785 -0.643 . . . . 15.0 110.974 -178.038 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_exo -66.99 6.86 0.51 Allowed 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 123.147 2.565 . . . . 15.0 111.973 173.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.408 ' H ' ' C ' ' A' ' 22' ' ' ALA . 2.7 t-20 -74.66 0.54 14.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.756 -0.656 . . . . 15.0 110.112 175.402 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 65.17 26.37 71.51 Favored Glycine 0 N--CA 1.445 -0.723 0 N-CA-C 109.377 -1.489 . . . . 15.0 109.377 -170.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.558 ' HG2' ' CE3' ' A' ' 39' ' ' TRP . 15.8 ttp180 -145.51 138.89 14.36 Favored Pre-proline 0 N--CA 1.443 -0.81 0 CA-C-N 114.25 -0.975 . . . . 15.0 110.507 -171.732 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.455 ' HA ' ' HA ' ' A' ' 21' ' ' HIS . 4.9 Cg_endo -89.54 123.41 1.24 Allowed 'Trans proline' 0 N--CA 1.452 -0.967 0 C-N-CA 122.442 2.095 . . . . 15.0 111.452 169.679 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.606 ' CZ ' ' HD2' ' A' ' 20' ' ' ARG . 14.9 p90 -94.58 140.19 30.18 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 120.127 -0.629 . . . . 15.0 109.473 176.54 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.401 ' HB2' ' OG1' ' A' ' 38' ' ' THR . 78.9 m-85 -90.6 132.53 35.68 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.035 -0.53 . . . . 15.0 109.938 -177.223 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.882 ' HB ' ' HE2' ' B' ' 117' ' ' TYR . 15.2 pt -133.57 126.4 51.59 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 N-CA-C 114.644 1.35 . . . . 15.0 114.644 -175.765 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.489 ' HB2' ' CE2' ' A' ' 17' ' ' TRP . 17.0 t70 -90.28 128.47 36.43 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-N 115.205 -0.907 . . . . 15.0 110.155 178.254 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 80.4 m-70 -88.25 -12.09 44.67 Favored 'General case' 0 N--CA 1.462 0.16 0 O-C-N 124.032 0.832 . . . . 15.0 111.464 -176.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 34.1 m-80 -78.82 -33.92 45.69 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.675 0.75 . . . . 15.0 109.602 -176.125 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 41.0 m -149.76 110.78 4.35 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 114.762 -1.108 . . . . 15.0 108.236 172.48 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.574 ' HB3' ' HB3' ' B' ' 117' ' ' TYR . 61.3 mttp -34.91 98.98 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.265 0 O-C-N 124.304 1.003 . . . . 15.0 113.009 -174.582 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.407 ' O ' ' HA ' ' A' ' 30' ' ' ILE . 38.1 m -138.59 137.51 37.04 Favored 'General case' 0 CA--C 1.531 0.245 0 N-CA-C 112.103 0.409 . . . . 15.0 112.103 178.504 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.507 HG22 HG22 ' A' ' 30' ' ' ILE . 10.8 p -119.9 127.25 52.52 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.893 -0.594 . . . . 15.0 110.826 176.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.401 ' OG1' ' HB2' ' A' ' 29' ' ' PHE . 71.7 p -128.59 144.34 51.13 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 121.133 -0.227 . . . . 15.0 110.497 175.364 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.558 ' CE3' ' HG2' ' A' ' 26' ' ' ARG . 94.7 m95 -93.73 -11.28 31.79 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 108.719 -0.845 . . . . 15.0 108.719 173.489 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -108.3 138.64 44.25 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.635 -1.166 . . . . 15.0 109.603 177.227 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -63.2 123.18 79.55 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-N 116.255 -0.429 . . . . 15.0 111.446 -175.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo . . . . . 0 C--N 1.344 0.303 0 C-N-CA 123.404 2.736 . . . . 15.0 114.536 -175.975 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 114' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo . . . . . 0 C--O 1.234 0.308 0 CA-C-O 120.568 0.153 . . . . 15.0 111.808 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 115' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -66.35 139.78 55.82 Favored 'Trans proline' 0 N--CA 1.465 -0.189 0 C-N-CA 122.662 2.242 . . . . 15.0 111.774 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 116' ' ' GLU . . . . . 0.47 ' CD ' ' H ' ' B' ' 116' ' ' GLU . 0.8 OUTLIER -67.21 120.03 13.09 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.955 0.407 . . . . 15.0 110.023 178.19 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 117' ' ' TYR . . . . . 0.882 ' HE2' ' HB ' ' A' ' 30' ' ' ILE . 0.9 OUTLIER -74.31 119.68 18.84 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.424 -0.353 . . . . 15.0 110.116 -177.36 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 118' ' ' MET . . . . . . . . . . . . . 86.4 mmm -156.13 104.71 2.28 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.445 -0.798 . . . . 15.0 109.364 173.435 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -122.49 -14.2 7.85 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 109.112 -0.699 . . . . 15.0 109.112 173.593 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.244 0.807 0 CA-C-N 114.946 -1.024 . . . . 15.0 109.323 -178.981 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 1.07 ' HG2' ' HG2' ' A' ' 42' ' ' PRO . 12.0 Cg_exo . . . . . 0 CA--C 1.545 1.027 0 N-CA-C 114.216 0.814 . . . . 15.0 114.216 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.9 tmtm? -144.06 118.05 9.42 Favored 'General case' 0 C--N 1.329 -0.313 0 O-C-N 121.76 -0.588 . . . . 15.0 109.549 176.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 100.32 1.23 55.71 Favored Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 120.798 -0.715 . . . . 15.0 111.836 179.256 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.536 ' HA ' ' O ' ' A' ' 30' ' ' ILE . 89.1 m95 -104.83 125.56 51.0 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.369 0.604 . . . . 15.0 110.907 -179.486 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.548 ' HB2' HG13 ' A' ' 30' ' ' ILE . 32.9 mm-40 -97.39 149.95 21.56 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 115.008 -0.996 . . . . 15.0 109.342 175.119 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 7.3 p -99.09 108.44 22.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-O 121.607 0.717 . . . . 15.0 110.351 177.662 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.59 ' HD2' ' CZ ' ' A' ' 28' ' ' PHE . 37.2 ttm-85 -109.69 126.9 54.18 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.926 -0.579 . . . . 15.0 109.688 179.079 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.417 ' HE1' ' HA2' ' A' ' 25' ' ' GLY . 5.1 t-80 -93.83 124.09 37.6 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.321 -0.4 . . . . 15.0 110.519 -176.659 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.507 ' HB1' ' HD2' ' A' ' 23' ' ' PRO . . . -83.25 179.31 1.98 Allowed Pre-proline 0 C--N 1.325 -0.458 0 CA-C-N 115.979 -0.555 . . . . 15.0 110.288 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.507 ' HD2' ' HB1' ' A' ' 22' ' ' ALA . 31.9 Cg_exo -61.1 -14.08 31.46 Favored 'Trans proline' 0 C--N 1.353 0.812 0 C-N-CA 121.967 1.778 . . . . 15.0 111.092 167.598 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 43.3 t-20 -77.69 137.93 38.78 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 114.941 -1.027 . . . . 15.0 108.348 170.341 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.417 ' HA2' ' HE1' ' A' ' 21' ' ' HIS . . . -57.38 -15.09 14.79 Favored Glycine 0 C--N 1.335 0.483 0 N-CA-C 110.964 -0.854 . . . . 15.0 110.964 173.148 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.536 ' HG2' ' CE3' ' A' ' 39' ' ' TRP . 9.7 tpt180 -72.65 129.9 86.33 Favored Pre-proline 0 N--CA 1.44 -0.927 0 CA-C-N 114.314 -0.943 . . . . 15.0 111.449 173.058 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 26' ' ' ARG . 2.2 Cg_endo -89.59 135.92 2.6 Favored 'Trans proline' 0 N--CA 1.461 -0.383 0 C-N-CA 122.844 2.362 . . . . 15.0 111.356 168.033 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.59 ' CZ ' ' HD2' ' A' ' 20' ' ' ARG . 52.3 p90 -110.6 150.07 29.49 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 120.658 -0.417 . . . . 15.0 110.081 178.025 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 74.5 m-85 -97.84 141.3 31.0 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.831 -0.622 . . . . 15.0 110.99 -172.376 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.733 ' HB ' ' CE2' ' B' ' 117' ' ' TYR . 10.7 pt -134.05 126.35 49.88 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.319 0 N-CA-C 114.579 1.325 . . . . 15.0 114.579 -177.169 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -94.59 130.01 41.21 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 114.695 -1.139 . . . . 15.0 111.318 179.531 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 43.4 m-70 -96.61 3.92 52.26 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.722 -0.672 . . . . 15.0 111.867 -177.507 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 48.5 m-80 -86.46 -40.71 15.06 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.768 -0.373 . . . . 15.0 111.148 -177.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.8 t -138.18 21.76 2.79 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 116.725 -0.216 . . . . 15.0 111.55 -176.245 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 58.5 mttp 49.93 70.75 0.46 Allowed 'General case' 0 C--O 1.233 0.22 0 CA-C-O 121.302 0.572 . . . . 15.0 112.146 -178.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 21.6 p -132.31 150.06 52.23 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.626 -0.715 . . . . 15.0 110.323 178.552 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.1 t -137.61 149.95 47.04 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.999 0.428 . . . . 15.0 110.858 -177.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 7.7 t -150.06 146.31 26.88 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.95 -0.568 . . . . 15.0 109.876 179.416 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.536 ' CE3' ' HG2' ' A' ' 26' ' ' ARG . 92.4 m95 -88.0 -36.3 17.11 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 109.957 -0.386 . . . . 15.0 109.957 178.714 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -82.57 131.34 35.21 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.709 -0.848 . . . . 15.0 108.709 173.523 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.418 ' HA ' ' HD2' ' A' ' 42' ' ' PRO . 11.4 t0 -52.61 122.93 28.61 Favored Pre-proline 0 C--N 1.33 -0.275 0 O-C-N 123.542 0.526 . . . . 15.0 110.621 -176.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 1.07 ' HG2' ' HG2' ' A' ' 14' ' ' PRO . 15.0 Cg_endo . . . . . 0 CA--C 1.528 0.211 0 C-N-CA 123.692 2.928 . . . . 15.0 114.2 -177.505 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 114' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_exo . . . . . 0 C--O 1.234 0.289 0 CA-C-O 120.843 0.268 . . . . 15.0 112.121 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 115' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -79.11 143.6 17.96 Favored 'Trans proline' 0 N--CA 1.463 -0.307 0 C-N-CA 122.849 2.366 . . . . 15.0 112.236 179.573 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 116' ' ' GLU . . . . . 0.462 ' CD ' ' H ' ' B' ' 116' ' ' GLU . 1.0 OUTLIER -70.1 133.79 47.52 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 108.93 -0.767 . . . . 15.0 108.93 176.29 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 117' ' ' TYR . . . . . 0.733 ' CE2' ' HB ' ' A' ' 30' ' ' ILE . 0.8 OUTLIER -100.05 123.43 44.28 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 121.046 0.45 . . . . 15.0 111.402 -175.461 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 118' ' ' MET . . . . . . . . . . . . . 13.1 tpt -170.99 99.64 0.21 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.293 -0.867 . . . . 15.0 109.654 169.463 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -113.22 -54.94 2.58 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.191 -0.67 . . . . 15.0 109.191 175.06 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.066 0 CA-C-N 115.134 -0.939 . . . . 15.0 109.085 175.569 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_exo . . . . . 0 N--CA 1.463 -0.299 0 CA-C-O 120.672 0.197 . . . . 15.0 112.131 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -69.45 -3.8 15.95 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.448 -0.342 . . . . 15.0 111.852 -173.437 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -92.39 -16.49 49.56 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 121.145 -0.55 . . . . 15.0 112.208 176.04 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.528 ' HA ' ' O ' ' A' ' 30' ' ' ILE . 64.2 m95 -100.27 135.16 42.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.144 0.497 . . . . 15.0 110.26 179.26 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.477 ' O ' HG12 ' A' ' 30' ' ' ILE . 18.5 mm-40 -100.62 130.77 46.72 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 116.086 -0.506 . . . . 15.0 110.023 175.611 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.458 ' O ' HG13 ' A' ' 19' ' ' VAL . 8.3 p -89.73 96.69 6.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-O 121.656 0.741 . . . . 15.0 109.751 175.002 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.569 ' HB3' ' CE1' ' A' ' 28' ' ' PHE . 4.4 tpp180 -99.53 126.61 45.52 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.867 -0.606 . . . . 15.0 109.824 -177.296 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 8.8 t-80 -89.94 110.94 21.87 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.199 0.523 . . . . 15.0 110.381 -173.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -89.51 161.29 39.94 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 115.508 -0.769 . . . . 15.0 111.033 -176.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_exo -67.48 12.53 0.19 Allowed 'Trans proline' 0 C--N 1.352 0.725 0 C-N-CA 123.457 2.771 . . . . 15.0 113.136 178.469 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.547 ' HB3' ' HB3' ' A' ' 26' ' ' ARG . 62.7 t30 -85.37 0.38 52.31 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-O 121.197 0.522 . . . . 15.0 110.165 176.684 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 66.83 21.28 71.17 Favored Glycine 0 N--CA 1.446 -0.645 0 N-CA-C 109.259 -1.537 . . . . 15.0 109.259 -166.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.81 ' HG2' ' HE3' ' A' ' 39' ' ' TRP . 44.1 ttp180 -142.15 129.18 11.24 Favored Pre-proline 0 N--CA 1.442 -0.853 0 CA-C-N 113.934 -1.133 . . . . 15.0 109.219 -171.844 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 26' ' ' ARG . 18.0 Cg_endo -89.44 130.23 1.94 Allowed 'Trans proline' 0 N--CA 1.455 -0.771 0 C-N-CA 122.296 1.998 . . . . 15.0 112.286 176.845 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.569 ' CE1' ' HB3' ' A' ' 20' ' ' ARG . 9.8 p90 -93.49 136.58 33.63 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-O 121.546 0.689 . . . . 15.0 109.867 176.592 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 67.4 m-85 -89.96 130.7 36.13 Favored 'General case' 0 C--N 1.317 -0.804 0 CA-C-N 115.108 -0.951 . . . . 15.0 108.855 -178.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.974 ' HB ' ' HE2' ' B' ' 117' ' ' TYR . 19.5 pt -133.37 127.93 54.54 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.648 0 N-CA-C 115.296 1.591 . . . . 15.0 115.296 -173.147 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.487 ' HB2' ' CE2' ' A' ' 17' ' ' TRP . 9.8 t70 -93.77 132.87 37.73 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 114.252 -1.34 . . . . 15.0 110.154 176.025 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 50.7 m-70 -91.37 -10.22 41.99 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.246 -0.434 . . . . 15.0 111.572 -175.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 37.4 m-80 -81.81 -48.04 12.09 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.889 0.376 . . . . 15.0 111.052 -172.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.465 HG22 ' OD2' ' A' ' 31' ' ' ASP . 15.4 t -115.46 10.08 15.65 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.12 -0.491 . . . . 15.0 111.919 -173.517 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.828 ' HG3' ' HD1' ' B' ' 117' ' ' TYR . 9.9 mptt 53.69 83.5 0.07 Allowed 'General case' 0 CA--C 1.53 0.18 0 CA-C-O 121.193 0.52 . . . . 15.0 111.83 -177.699 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 89.7 m -145.64 132.74 20.38 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.231 -0.44 . . . . 15.0 111.434 179.571 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.724 HG21 ' HD2' ' B' ' 115' ' ' PRO . 18.0 m -114.95 130.07 56.85 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.589 -0.732 . . . . 15.0 109.825 176.476 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.682 ' OG1' ' HG2' ' A' ' 40' ' ' GLU . 14.8 t -142.05 150.08 40.78 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.626 -0.429 . . . . 15.0 111.677 -179.447 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.81 ' HE3' ' HG2' ' A' ' 26' ' ' ARG . 17.4 m95 -113.86 -6.08 13.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.24 -0.436 . . . . 15.0 110.132 179.48 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.682 ' HG2' ' OG1' ' A' ' 38' ' ' THR . 11.8 pt-20 -82.38 -7.4 59.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 15.0 111.51 -173.594 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.5 t70 66.2 105.2 0.03 OUTLIER Pre-proline 0 N--CA 1.469 0.478 0 O-C-N 123.983 0.802 . . . . 15.0 110.707 -179.21 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo . . . . . 0 C--N 1.341 0.177 0 C-N-CA 122.149 1.9 . . . . 15.0 113.023 -177.574 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 114' ' ' PRO . . . . . 0.487 ' HA ' ' HD3' ' B' ' 115' ' ' PRO . 8.1 Cg_endo . . . . . 0 C--O 1.231 0.165 0 CA-C-O 121.181 0.409 . . . . 15.0 112.961 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 115' ' ' PRO . . . . . 0.724 ' HD2' HG21 ' A' ' 37' ' ' THR . 4.0 Cg_exo -77.21 135.64 15.37 Favored 'Trans proline' 0 N--CA 1.459 -0.546 0 C-N-CA 123.415 2.743 . . . . 15.0 111.348 178.177 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 116' ' ' GLU . . . . . 0.446 ' CD ' ' H ' ' B' ' 116' ' ' GLU . 0.8 OUTLIER -57.98 120.23 8.17 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.324 -0.621 . . . . 15.0 109.324 177.132 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 117' ' ' TYR . . . . . 0.974 ' HE2' ' HB ' ' A' ' 30' ' ' ILE . 49.9 t80 -84.97 124.99 32.31 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 112.987 0.736 . . . . 15.0 112.987 -168.022 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 118' ' ' MET . . . . . . . . . . . . . 52.1 tpp -164.2 99.71 0.84 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 114.822 -1.081 . . . . 15.0 108.357 164.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 119' ' ' GLU . . . . . 0.443 ' HG3' ' O ' ' B' ' 119' ' ' GLU . 4.5 tp10 -130.08 20.09 5.4 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.491 -0.777 . . . . 15.0 109.372 -173.14 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.982 0 CA-C-N 115.327 -0.851 . . . . 15.0 110.254 -173.519 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 1.118 ' HG2' ' HB2' ' A' ' 42' ' ' PRO . 67.8 Cg_exo . . . . . 0 N--CA 1.475 0.433 0 N-CA-C 114.247 0.826 . . . . 15.0 114.247 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 36.1 ttmt -60.59 116.23 4.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.207 -0.906 . . . . 15.0 110.203 174.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 118.41 -19.37 10.73 Favored Glycine 0 N--CA 1.448 -0.511 0 N-CA-C 111.311 -0.716 . . . . 15.0 111.311 -177.563 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.549 ' CZ3' HG22 ' A' ' 38' ' ' THR . 68.8 m95 -100.87 127.54 47.29 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.227 0.537 . . . . 15.0 110.127 177.46 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.55 ' HB2' HG13 ' A' ' 30' ' ' ILE . 71.0 mm-40 -96.82 149.94 21.29 Favored 'General case' 0 C--N 1.311 -1.092 0 CA-C-N 115.42 -0.809 . . . . 15.0 109.584 176.773 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 13.9 p -101.38 114.16 39.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-O 121.591 0.71 . . . . 15.0 110.371 177.41 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.665 ' HD2' ' HZ ' ' A' ' 28' ' ' PHE . 12.9 ttm180 -118.6 141.48 48.55 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 108.623 -0.881 . . . . 15.0 108.623 178.195 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 6.7 t-80 -108.42 123.78 49.39 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 120.524 -0.47 . . . . 15.0 111.166 -174.613 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.474 ' HB1' ' HD2' ' A' ' 23' ' ' PRO . . . -86.76 177.11 2.99 Favored Pre-proline 0 C--N 1.323 -0.561 0 CA-C-N 115.612 -0.722 . . . . 15.0 109.818 176.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.474 ' HD2' ' HB1' ' A' ' 22' ' ' ALA . 32.3 Cg_exo -60.79 -18.91 58.98 Favored 'Trans proline' 0 C--N 1.354 0.856 0 C-N-CA 122.387 2.058 . . . . 15.0 111.613 169.594 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -62.55 137.33 58.24 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.255 -0.884 . . . . 15.0 109.152 170.178 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.13 55.27 0.82 Allowed Glycine 0 C--N 1.331 0.283 0 N-CA-C 110.984 -0.846 . . . . 15.0 110.984 174.158 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.481 ' HD2' ' HD2' ' A' ' 27' ' ' PRO . 31.0 tpt180 -163.82 132.96 2.94 Favored Pre-proline 0 N--CA 1.44 -0.948 0 CA-C-N 114.493 -0.854 . . . . 15.0 109.177 -170.048 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.481 ' HD2' ' HD2' ' A' ' 26' ' ' ARG . 1.7 Cg_endo -89.48 127.1 1.63 Allowed 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 122.251 1.967 . . . . 15.0 111.672 171.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.665 ' HZ ' ' HD2' ' A' ' 20' ' ' ARG . 38.1 p90 -93.98 138.59 31.91 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.112 0.482 . . . . 15.0 109.748 178.369 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.478 ' HE2' ' NH2' ' A' ' 26' ' ' ARG . 82.3 m-85 -90.23 140.4 29.71 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.702 -0.681 . . . . 15.0 110.186 -174.037 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.55 ' HB ' ' CE2' ' B' ' 117' ' ' TYR . 17.9 pt -135.67 123.5 36.74 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.768 0 N-CA-C 114.651 1.352 . . . . 15.0 114.651 -175.685 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.548 ' HB2' ' CE2' ' A' ' 17' ' ' TRP . 15.7 t70 -89.92 122.91 33.39 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.472 -0.785 . . . . 15.0 110.234 178.551 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 -90.47 -1.0 57.88 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.993 -0.549 . . . . 15.0 111.62 -176.325 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 45.9 m-80 -83.31 -50.07 8.74 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.831 0.348 . . . . 15.0 111.078 -176.377 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 14.8 t -118.96 5.91 11.37 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.988 0.423 . . . . 15.0 110.599 -179.226 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.411 ' HE3' ' O ' ' B' ' 119' ' ' GLU . 60.5 mmtt 58.6 83.14 0.13 Allowed 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 115.333 -0.848 . . . . 15.0 111.59 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 10.1 t -150.07 150.07 31.2 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.947 -0.57 . . . . 15.0 109.724 176.038 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.9 t -129.69 149.99 51.2 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.823 0.344 . . . . 15.0 110.886 -175.495 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.549 HG22 ' CZ3' ' A' ' 17' ' ' TRP . 7.2 t -144.46 145.72 32.04 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.241 -0.436 . . . . 15.0 111.054 -179.133 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.416 ' CE3' ' CG ' ' A' ' 26' ' ' ARG . 96.5 m95 -94.06 -4.12 50.01 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 109.306 -0.627 . . . . 15.0 109.306 173.383 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -101.8 119.84 39.42 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.902 -0.59 . . . . 15.0 109.545 175.26 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -49.9 114.3 4.13 Favored Pre-proline 0 C--N 1.329 -0.322 0 O-C-N 123.834 0.709 . . . . 15.0 111.365 -177.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 1.118 ' HB2' ' HG2' ' A' ' 14' ' ' PRO . 23.2 Cg_exo . . . . . 0 CA--C 1.537 0.652 0 C-N-CA 122.114 1.876 . . . . 15.0 113.906 -178.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 114' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo . . . . . 0 C--O 1.234 0.325 0 CA-C-O 120.731 0.221 . . . . 15.0 111.627 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 115' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.17 143.64 54.38 Favored 'Trans proline' 0 C--O 1.233 0.249 0 C-N-CA 122.88 2.387 . . . . 15.0 111.79 177.383 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 116' ' ' GLU . . . . . 0.489 ' CD ' ' H ' ' B' ' 116' ' ' GLU . 0.6 OUTLIER -58.5 125.4 23.19 Favored 'General case' 0 C--O 1.234 0.249 0 N-CA-C 109.195 -0.668 . . . . 15.0 109.195 177.708 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 117' ' ' TYR . . . . . 0.571 ' HD1' ' N ' ' B' ' 118' ' ' MET . 0.3 OUTLIER -108.96 123.67 49.47 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 112.282 0.475 . . . . 15.0 112.282 -168.215 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 118' ' ' MET . . . . . 0.571 ' N ' ' HD1' ' B' ' 117' ' ' TYR . 19.0 ptm -179.52 105.96 0.03 OUTLIER 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.283 -0.871 . . . . 15.0 110.253 167.809 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 119' ' ' GLU . . . . . 0.528 ' HG2' ' N ' ' B' ' 120' ' ' ALA . 0.0 OUTLIER -139.83 -170.11 2.87 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.991 -0.284 . . . . 15.0 110.521 175.522 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 120' ' ' ALA . . . . . 0.528 ' N ' ' HG2' ' B' ' 119' ' ' GLU . . . . . . . . 0 C--O 1.251 1.144 0 CA-C-O 118.682 -0.675 . . . . 15.0 110.272 177.631 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo . . . . . 0 CA--C 1.532 0.377 0 N-CA-C 113.104 0.386 . . . . 15.0 113.104 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.2 ptpm? -72.48 1.96 7.12 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.285 0.476 . . . . 15.0 112.285 -174.28 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -105.49 -8.03 36.01 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.67 -0.776 . . . . 15.0 112.38 178.421 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.69 ' CE2' ' HB2' ' A' ' 31' ' ' ASP . 74.1 m95 -110.82 124.88 52.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.451 0.643 . . . . 15.0 111.407 -176.412 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.694 ' HB2' HG13 ' A' ' 30' ' ' ILE . 33.9 mm-40 -91.76 144.73 25.21 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 114.981 -1.009 . . . . 15.0 109.491 175.38 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 21.3 t -104.88 104.6 17.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 120.95 0.405 . . . . 15.0 109.958 176.336 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.4 ttp85 -114.38 126.77 55.36 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.171 -0.468 . . . . 15.0 110.228 -178.425 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.628 ' HA ' ' HA ' ' A' ' 27' ' ' PRO . 29.0 t-80 -89.88 122.15 32.66 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.985 0.422 . . . . 15.0 110.805 -173.432 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.445 ' C ' ' H ' ' A' ' 24' ' ' ASN . . . -94.15 159.97 33.08 Favored Pre-proline 0 C--N 1.322 -0.606 0 CA-C-N 115.875 -0.602 . . . . 15.0 110.423 179.304 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_exo -67.72 12.0 0.22 Allowed 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 123.14 2.56 . . . . 15.0 112.419 176.135 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.491 HD22 ' N ' ' A' ' 24' ' ' ASN . 0.8 OUTLIER -84.0 6.57 21.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.025 -0.534 . . . . 15.0 110.371 177.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 64.73 28.82 73.84 Favored Glycine 0 N--CA 1.447 -0.598 0 N-CA-C 109.424 -1.471 . . . . 15.0 109.424 -168.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.588 ' HG2' ' CE3' ' A' ' 39' ' ' TRP . 8.2 tpt180 -147.73 130.61 7.94 Favored Pre-proline 0 N--CA 1.445 -0.701 0 CA-C-N 114.515 -0.843 . . . . 15.0 111.063 -167.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.628 ' HA ' ' HA ' ' A' ' 21' ' ' HIS . 18.7 Cg_endo -89.87 128.7 1.66 Allowed 'Trans proline' 0 N--CA 1.451 -0.974 0 C-N-CA 122.829 2.353 . . . . 15.0 111.228 169.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.47 ' HD1' HG23 ' A' ' 30' ' ' ILE . 20.7 p90 -101.21 138.81 37.75 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.69 -0.485 . . . . 15.0 109.69 176.741 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.418 ' HB2' HG23 ' A' ' 38' ' ' THR . 97.8 m-85 -90.31 136.53 33.0 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.989 -0.551 . . . . 15.0 109.647 179.84 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.694 HG13 ' HB2' ' A' ' 18' ' ' GLU . 6.0 pt -135.32 123.02 37.53 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.564 0 N-CA-C 114.794 1.405 . . . . 15.0 114.794 -174.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.69 ' HB2' ' CE2' ' A' ' 17' ' ' TRP . 9.6 t70 -89.98 122.95 33.47 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-N 114.919 -1.037 . . . . 15.0 110.61 179.477 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.534 ' CE1' ' HG3' ' B' ' 119' ' ' GLU . 21.9 m-70 -93.02 7.59 43.46 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.119 -0.491 . . . . 15.0 111.693 -178.077 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 45.2 m-80 -90.17 -37.82 13.91 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.925 0.393 . . . . 15.0 110.697 178.65 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -126.52 6.03 6.88 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.391 -0.368 . . . . 15.0 111.763 -176.592 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 62.3 mttp 50.07 68.96 0.67 Allowed 'General case' 0 CA--C 1.532 0.288 0 CA-C-O 121.812 0.815 . . . . 15.0 111.216 -173.54 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 26.5 m -137.42 142.92 41.65 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.083 -0.962 . . . . 15.0 109.348 179.347 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.0 t -124.65 149.98 46.55 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.825 0.345 . . . . 15.0 111.604 -175.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.679 HG22 ' CZ3' ' A' ' 17' ' ' TRP . 5.8 t -140.19 142.19 35.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.946 -0.57 . . . . 15.0 109.949 176.423 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.588 ' CE3' ' HG2' ' A' ' 26' ' ' ARG . 83.8 m95 -89.43 -4.62 57.92 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 120.95 0.405 . . . . 15.0 110.16 179.566 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -123.37 135.45 54.16 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.785 -0.643 . . . . 15.0 110.034 178.403 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.452 ' HA ' ' HD2' ' A' ' 42' ' ' PRO . 10.1 t70 -49.25 121.21 10.88 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-N 115.093 -0.958 . . . . 15.0 113.03 -170.044 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.452 ' HD2' ' HA ' ' A' ' 41' ' ' ASP . 26.4 Cg_endo . . . . . 0 C--N 1.349 0.586 0 C-N-CA 123.941 3.094 . . . . 15.0 115.488 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 114' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo . . . . . 0 C--O 1.232 0.222 0 CA-C-O 120.894 0.289 . . . . 15.0 112.465 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 115' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -73.97 128.61 12.48 Favored 'Trans proline' 0 N--CA 1.458 -0.559 0 C-N-CA 122.372 2.048 . . . . 15.0 110.686 176.649 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -60.67 119.98 9.16 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.435 0.636 . . . . 15.0 109.597 179.13 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 117' ' ' TYR . . . . . 0.526 ' CE2' ' HB ' ' A' ' 30' ' ' ILE . 0.3 OUTLIER -83.95 120.19 25.8 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.437 -0.801 . . . . 15.0 111.935 -168.468 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 118' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -168.42 105.07 0.45 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.195 -0.911 . . . . 15.0 108.828 167.379 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 119' ' ' GLU . . . . . 0.534 ' HG3' ' CE1' ' A' ' 32' ' ' HIS . 5.6 pt-20 -149.99 116.04 5.67 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 115.026 -0.988 . . . . 15.0 109.229 178.246 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.244 0.798 0 CA-C-O 118.355 -0.831 . . . . 15.0 110.396 -174.406 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.804 ' HG2' ' HG2' ' A' ' 42' ' ' PRO . 89.6 Cg_exo . . . . . 0 CA--C 1.517 -0.326 0 CA-C-O 119.499 -0.292 . . . . 15.0 112.576 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 60.9 mtpt 38.79 -90.79 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.517 0 O-C-N 124.474 1.109 . . . . 15.0 113.4 170.137 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -136.77 57.16 0.68 Allowed Glycine 0 N--CA 1.444 -0.791 0 C-N-CA 120.753 -0.737 . . . . 15.0 113.136 -177.022 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.568 ' CD1' ' HB2' ' A' ' 14' ' ' PRO . 74.7 m95 -108.82 127.18 53.8 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.5 0.666 . . . . 15.0 111.142 178.047 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.547 ' HB2' HG13 ' A' ' 30' ' ' ILE . 6.5 mm-40 -96.07 147.62 23.53 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 114.702 -1.135 . . . . 15.0 109.575 175.053 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 23.6 t -98.71 99.1 8.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 N-CA-C 109.757 -0.46 . . . . 15.0 109.757 178.141 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.9 tpp180 -104.53 125.38 50.64 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.411 -0.588 . . . . 15.0 109.411 -178.005 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.649 ' HA ' ' HA ' ' A' ' 27' ' ' PRO . 27.1 t-80 -89.77 126.61 35.74 Favored 'General case' 0 C--N 1.322 -0.595 0 O-C-N 122.017 -0.427 . . . . 15.0 111.112 -175.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.418 ' C ' ' H ' ' A' ' 24' ' ' ASN . . . -101.31 162.31 20.91 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-N 116.19 -0.459 . . . . 15.0 110.141 177.668 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_exo -65.23 6.27 0.41 Allowed 'Trans proline' 0 C--N 1.35 0.65 0 C-N-CA 123.244 2.629 . . . . 15.0 112.722 176.5 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.418 ' H ' ' C ' ' A' ' 22' ' ' ALA . 2.4 t-20 -77.36 5.54 8.5 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.596 -0.729 . . . . 15.0 110.435 178.27 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 64.31 22.45 67.36 Favored Glycine 0 CA--C 1.505 -0.555 0 N-CA-C 109.56 -1.416 . . . . 15.0 109.56 -171.094 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.487 ' HG2' ' HE3' ' A' ' 39' ' ' TRP . 28.8 ttp180 -145.17 135.69 12.08 Favored Pre-proline 0 N--CA 1.44 -0.929 0 CA-C-N 114.292 -0.954 . . . . 15.0 110.182 -170.812 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.649 ' HA ' ' HA ' ' A' ' 21' ' ' HIS . 12.2 Cg_endo -89.52 120.24 0.96 Allowed 'Trans proline' 0 N--CA 1.447 -1.207 0 C-N-CA 122.341 2.028 . . . . 15.0 111.635 170.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 27.7 p90 -90.07 139.47 30.59 Favored 'General case' 0 N--CA 1.446 -0.657 0 N-CA-C 108.878 -0.786 . . . . 15.0 108.878 177.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.494 ' HB2' ' OG1' ' A' ' 38' ' ' THR . 97.6 m-85 -89.99 138.74 31.25 Favored 'General case' 0 CA--C 1.502 -0.877 0 CA-C-N 116.265 -0.425 . . . . 15.0 110.748 -175.501 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.704 ' HB ' ' CE2' ' B' ' 117' ' ' TYR . 13.6 pt -133.49 124.22 47.94 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.913 0 N-CA-C 114.687 1.366 . . . . 15.0 114.687 -173.521 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.568 ' HB2' ' CE2' ' A' ' 17' ' ' TRP . 19.9 t70 -89.89 120.95 31.56 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 114.515 -1.221 . . . . 15.0 109.303 176.26 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 21.0 m-70 -83.4 -5.0 59.01 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.369 -0.378 . . . . 15.0 111.698 -175.778 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 39.6 m-80 -82.01 -57.61 3.33 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.095 0.474 . . . . 15.0 110.648 -178.074 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.0 m -105.43 1.01 27.35 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.996 -0.547 . . . . 15.0 110.958 -175.093 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 54.53 88.59 0.04 OUTLIER 'General case' 0 CA--C 1.535 0.392 0 CA-C-O 121.207 0.527 . . . . 15.0 111.075 -172.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 16.2 m -143.53 140.7 30.4 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 116.261 -0.427 . . . . 15.0 110.896 178.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.548 HG22 HG22 ' A' ' 30' ' ' ILE . 13.6 p -112.23 128.33 56.22 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 120.888 0.375 . . . . 15.0 111.731 -178.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.494 ' OG1' ' HB2' ' A' ' 29' ' ' PHE . 76.6 p -126.44 121.52 32.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.796 0.332 . . . . 15.0 111.791 177.817 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.487 ' HE3' ' HG2' ' A' ' 26' ' ' ARG . 98.6 m95 -72.7 -14.9 61.67 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.172 0.511 . . . . 15.0 109.944 175.434 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -103.34 147.07 27.54 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.54 -0.755 . . . . 15.0 109.71 174.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -65.23 121.55 75.1 Favored Pre-proline 0 C--N 1.326 -0.452 0 CA-C-N 116.229 -0.441 . . . . 15.0 110.408 -178.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.804 ' HG2' ' HG2' ' A' ' 14' ' ' PRO . 18.9 Cg_endo . . . . . 0 C--N 1.346 0.432 0 C-N-CA 123.488 2.792 . . . . 15.0 113.844 -178.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 114' ' ' PRO . . . . . 0.452 ' HA ' ' HD3' ' B' ' 115' ' ' PRO . 73.7 Cg_exo . . . . . 0 C--O 1.235 0.332 0 CA-C-O 120.781 0.242 . . . . 15.0 111.54 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 115' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' B' ' 114' ' ' PRO . 27.9 Cg_exo -62.03 135.13 53.28 Favored 'Trans proline' 0 N--CA 1.461 -0.42 0 C-N-CA 122.68 2.253 . . . . 15.0 112.507 -177.397 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 116' ' ' GLU . . . . . 0.509 ' H ' ' HG2' ' B' ' 116' ' ' GLU . 4.6 pt-20 -65.25 119.96 11.87 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.367 -0.833 . . . . 15.0 109.907 176.32 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 117' ' ' TYR . . . . . 0.818 ' HE1' ' HB2' ' B' ' 119' ' ' GLU . 0.5 OUTLIER -102.08 124.52 47.83 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.874 -0.603 . . . . 15.0 111.607 -169.211 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 118' ' ' MET . . . . . 0.61 ' N ' ' HD1' ' B' ' 117' ' ' TYR . 22.3 ptt? -153.62 98.85 2.26 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.608 0.718 . . . . 15.0 110.054 165.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 119' ' ' GLU . . . . . 0.818 ' HB2' ' HE1' ' B' ' 117' ' ' TYR . 47.2 mt-10 -136.45 132.44 35.4 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.204 -0.907 . . . . 15.0 109.383 178.03 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.072 0 O-C-N 124.154 0.909 . . . . 15.0 110.585 -177.763 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.654 ' HB2' ' CD1' ' A' ' 17' ' ' TRP . 66.0 Cg_exo . . . . . 0 CA--C 1.539 0.762 0 N-CA-C 114.624 0.971 . . . . 15.0 114.624 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 54.6 mttp 73.09 115.99 0.05 Allowed 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 123.589 0.755 . . . . 15.0 111.739 176.415 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.408 ' O ' ' HA ' ' A' ' 31' ' ' ASP . . . 100.3 -3.96 56.84 Favored Glycine 0 N--CA 1.446 -0.698 0 CA-C-N 115.112 -0.949 . . . . 15.0 111.051 -176.421 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.654 ' CD1' ' HB2' ' A' ' 14' ' ' PRO . 80.4 m95 -109.26 121.95 46.28 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.047 0.451 . . . . 15.0 110.713 -179.011 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.59 ' HB2' HG13 ' A' ' 30' ' ' ILE . 17.8 mm-40 -89.85 149.89 22.46 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.32 -0.855 . . . . 15.0 108.851 173.356 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 13.5 p -103.4 119.63 52.21 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 CA-C-O 121.267 0.556 . . . . 15.0 109.714 173.448 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.508 ' HD2' ' HZ ' ' A' ' 28' ' ' PHE . 43.6 ttm-85 -121.43 128.82 52.55 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.882 0.372 . . . . 15.0 110.016 179.566 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -95.28 122.25 37.79 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.048 -0.524 . . . . 15.0 110.344 -178.505 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.445 ' HB3' ' OD1' ' A' ' 24' ' ' ASN . . . -102.59 168.66 8.57 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 116.231 -0.44 . . . . 15.0 110.25 179.352 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_exo -64.98 2.08 1.55 Allowed 'Trans proline' 0 C--N 1.353 0.809 0 C-N-CA 123.105 2.536 . . . . 15.0 113.05 178.213 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.445 ' OD1' ' HB3' ' A' ' 22' ' ' ALA . 6.2 p30 -80.6 1.36 30.09 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.314 -0.403 . . . . 15.0 110.818 175.107 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.31 18.52 69.53 Favored Glycine 0 C--N 1.334 0.461 0 N-CA-C 110.237 -1.145 . . . . 15.0 110.237 -176.77 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.675 ' HG2' ' CE3' ' A' ' 39' ' ' TRP . 5.2 tpt180 -124.99 131.72 24.16 Favored Pre-proline 0 N--CA 1.441 -0.916 0 CA-C-N 114.197 -1.001 . . . . 15.0 110.416 -171.254 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_endo -89.76 113.9 0.56 Allowed 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 122.39 2.06 . . . . 15.0 111.428 170.708 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.518 ' HB3' ' CZ3' ' A' ' 39' ' ' TRP . 31.6 p90 -96.73 139.66 32.46 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.747 -0.464 . . . . 15.0 109.747 179.198 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -89.72 137.98 31.87 Favored 'General case' 0 CA--C 1.508 -0.652 0 CA-C-N 115.795 -0.639 . . . . 15.0 109.945 -175.22 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.62 ' O ' ' HA ' ' A' ' 17' ' ' TRP . 3.4 pt -136.0 119.37 23.39 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.691 0 N-CA-C 114.447 1.277 . . . . 15.0 114.447 -174.707 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.46 ' OD2' ' HB ' ' A' ' 34' ' ' THR . 0.0 OUTLIER -91.29 127.79 36.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 114.657 -1.156 . . . . 15.0 110.621 179.778 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 24.6 m-70 -94.61 -7.7 40.22 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 112.861 0.689 . . . . 15.0 112.861 -174.494 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -98.59 -17.12 18.82 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.228 -0.589 . . . . 15.0 111.027 -175.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.46 ' HB ' ' OD2' ' A' ' 31' ' ' ASP . 2.1 m -124.96 -5.71 7.38 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.356 -0.383 . . . . 15.0 110.907 176.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 48.3 mmtm 59.03 51.93 6.74 Favored 'General case' 0 N--CA 1.464 0.226 0 C-N-CA 123.056 0.543 . . . . 15.0 111.071 -179.168 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 27.3 m -126.13 140.98 52.13 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.893 0.378 . . . . 15.0 111.253 179.417 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 11.3 t -116.94 150.15 38.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 15.0 110.454 179.652 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.515 HG21 ' HG3' ' A' ' 42' ' ' PRO . 13.3 t -147.52 144.14 28.32 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.224 -0.444 . . . . 15.0 110.506 -177.763 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.675 ' CE3' ' HG2' ' A' ' 26' ' ' ARG . 55.7 m95 -99.72 -10.57 21.74 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.662 0.744 . . . . 15.0 109.398 178.34 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -101.09 120.16 39.81 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.303 -0.862 . . . . 15.0 109.378 171.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -47.15 120.5 6.72 Favored Pre-proline 0 N--CA 1.469 0.52 0 CA-C-N 115.832 -0.622 . . . . 15.0 111.194 -175.187 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.515 ' HG3' HG21 ' A' ' 38' ' ' THR . 33.8 Cg_exo . . . . . 0 C--N 1.345 0.374 0 C-N-CA 122.549 2.166 . . . . 15.0 113.48 -178.697 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 114' ' ' PRO . . . . . 0.506 ' HA ' ' HD3' ' B' ' 115' ' ' PRO . 32.9 Cg_exo . . . . . 0 C--O 1.232 0.218 0 CA-C-O 120.585 0.16 . . . . 15.0 112.089 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 115' ' ' PRO . . . . . 0.633 ' HD3' ' CZ2' ' A' ' 39' ' ' TRP . 10.3 Cg_exo -72.12 136.4 26.92 Favored 'Trans proline' 0 N--CA 1.463 -0.266 0 C-N-CA 123.067 2.511 . . . . 15.0 112.486 -177.77 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -58.02 119.95 7.69 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.657 -0.702 . . . . 15.0 109.786 175.579 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 117' ' ' TYR . . . . . 0.484 ' HD1' ' N ' ' B' ' 118' ' ' MET . 0.3 OUTLIER -97.01 123.8 40.82 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.335 -0.546 . . . . 15.0 111.846 -172.694 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 118' ' ' MET . . . . . 0.484 ' N ' ' HD1' ' B' ' 117' ' ' TYR . 19.9 ptm -171.5 59.53 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.236 -0.893 . . . . 15.0 109.718 167.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 119' ' ' GLU . . . . . 0.477 ' OE1' HD12 ' A' ' 30' ' ' ILE . 53.4 mt-10 -84.2 113.46 21.1 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.244 -0.889 . . . . 15.0 110.098 179.359 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.969 0 O-C-N 124.08 0.863 . . . . 15.0 112.01 175.825 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.581 ' HB2' ' CD1' ' A' ' 17' ' ' TRP . 6.0 Cg_exo . . . . . 0 CA--C 1.532 0.386 0 N-CA-C 114.067 0.757 . . . . 15.0 114.067 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.569 ' H ' ' HD1' ' A' ' 17' ' ' TRP . 20.7 pttp 178.56 102.46 0.02 OUTLIER 'General case' 0 C--N 1.334 -0.066 0 CA-C-O 121.603 0.716 . . . . 15.0 110.203 -176.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 68.93 18.19 72.35 Favored Glycine 0 C--N 1.311 -0.826 0 C-N-CA 120.383 -0.913 . . . . 15.0 113.379 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.609 ' HA ' ' O ' ' A' ' 30' ' ' ILE . 81.2 m95 -95.97 131.62 42.15 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.861 -0.422 . . . . 15.0 109.861 178.573 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.579 ' O ' HG12 ' A' ' 30' ' ' ILE . 15.2 tp10 -105.81 141.96 36.35 Favored 'General case' 0 C--N 1.315 -0.896 0 N-CA-C 108.661 -0.866 . . . . 15.0 108.661 176.35 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 4.2 m -101.57 98.94 7.46 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-O 121.404 0.621 . . . . 15.0 111.164 179.647 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.672 ' HD2' ' HZ ' ' A' ' 28' ' ' PHE . 21.6 ttm180 -92.24 119.08 31.51 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.588 -0.893 . . . . 15.0 108.588 176.722 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 7.9 t-80 -89.97 115.42 27.25 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.024 0.44 . . . . 15.0 110.953 -173.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.464 ' HB1' ' HD2' ' A' ' 23' ' ' PRO . . . -77.16 176.24 3.69 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-N 115.574 -0.739 . . . . 15.0 109.736 175.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.464 ' HD2' ' HB1' ' A' ' 22' ' ' ALA . 32.1 Cg_exo -60.57 -18.56 55.29 Favored 'Trans proline' 0 C--N 1.353 0.777 0 C-N-CA 122.208 1.939 . . . . 15.0 111.755 173.017 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.405 ' C ' ' H ' ' A' ' 26' ' ' ARG . 14.7 m120 -63.92 146.61 53.72 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.202 -0.908 . . . . 15.0 110.015 172.186 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -71.73 48.18 1.01 Allowed Glycine 0 CA--C 1.518 0.223 0 N-CA-C 110.388 -1.085 . . . . 15.0 110.388 169.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.469 ' HG2' ' CE3' ' A' ' 39' ' ' TRP . 11.8 tpt180 -154.02 122.68 3.08 Favored Pre-proline 0 N--CA 1.44 -0.951 0 CA-C-N 114.577 -0.811 . . . . 15.0 109.808 -169.654 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 8.4 Cg_endo -89.71 125.57 1.39 Allowed 'Trans proline' 0 N--CA 1.45 -1.086 0 C-N-CA 122.406 2.071 . . . . 15.0 111.108 171.562 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.672 ' HZ ' ' HD2' ' A' ' 20' ' ' ARG . 52.5 p90 -90.03 135.24 33.77 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.106 -0.702 . . . . 15.0 109.106 176.605 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -89.77 134.9 33.94 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.622 -0.717 . . . . 15.0 110.387 -171.761 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.878 ' HB ' ' CE2' ' B' ' 117' ' ' TYR . 12.5 pt -130.85 125.65 58.61 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.592 0 N-CA-C 113.689 0.996 . . . . 15.0 113.689 -178.167 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.458 ' HB2' ' CE2' ' A' ' 17' ' ' TRP . 5.8 t70 -89.83 118.53 29.48 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 114.795 -1.093 . . . . 15.0 110.81 -177.784 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 24.9 m-70 -89.93 14.96 10.81 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.704 -0.68 . . . . 15.0 111.068 -178.138 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 46.9 m-80 -96.39 -39.48 9.58 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.672 0.272 . . . . 15.0 110.889 -179.147 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.9 t -142.62 28.05 1.64 Allowed 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 112.257 0.466 . . . . 15.0 112.257 -177.347 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.447 ' HE2' ' HA ' ' B' ' 118' ' ' MET . 2.6 mmmm 51.66 72.63 0.36 Allowed 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 122.482 0.313 . . . . 15.0 111.162 177.253 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 26.7 m -145.45 140.18 27.4 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 110.294 -0.261 . . . . 15.0 110.294 179.453 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.2 t -130.64 148.39 52.43 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.866 0.365 . . . . 15.0 111.363 -177.043 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 8.2 t -149.89 150.03 31.31 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 115.975 -0.557 . . . . 15.0 110.56 176.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.469 ' CE3' ' HG2' ' A' ' 26' ' ' ARG . 86.4 m95 -87.38 -13.07 44.43 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.861 0.363 . . . . 15.0 110.091 177.152 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -90.04 126.0 35.61 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.872 -0.604 . . . . 15.0 109.697 179.389 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -58.93 115.23 11.13 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 123.456 0.472 . . . . 15.0 110.355 -178.431 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.475 ' HB2' ' HB3' ' A' ' 14' ' ' PRO . 32.0 Cg_exo . . . . . 0 CA--C 1.533 0.439 0 C-N-CA 123.035 2.49 . . . . 15.0 113.756 -178.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 114' ' ' PRO . . . . . 0.443 ' HA ' ' HD2' ' B' ' 115' ' ' PRO . 83.6 Cg_endo . . . . . 0 N--CA 1.46 -0.48 0 CA-C-O 120.686 0.202 . . . . 15.0 112.127 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 115' ' ' PRO . . . . . 0.443 ' HD2' ' HA ' ' B' ' 114' ' ' PRO . 19.3 Cg_endo -60.29 135.61 62.9 Favored 'Trans proline' 0 C--O 1.233 0.226 0 C-N-CA 122.917 2.411 . . . . 15.0 111.929 176.662 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 116' ' ' GLU . . . . . 0.416 ' H ' ' HG3' ' B' ' 116' ' ' GLU . 0.0 OUTLIER -59.09 120.06 8.46 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 121.269 0.556 . . . . 15.0 110.322 177.899 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 117' ' ' TYR . . . . . 0.878 ' CE2' ' HB ' ' A' ' 30' ' ' ILE . 1.5 t80 -85.11 121.44 27.88 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.139 -0.482 . . . . 15.0 112.117 -170.414 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 118' ' ' MET . . . . . 0.447 ' HA ' ' HE2' ' A' ' 35' ' ' LYS . 51.8 ttm -175.42 108.34 0.1 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.04 -0.982 . . . . 15.0 108.866 169.571 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -119.35 128.67 54.31 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.595 0.236 . . . . 15.0 110.56 -176.602 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.975 0 CA-C-O 118.447 -0.787 . . . . 15.0 110.458 179.582 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 1.004 ' HG2' ' HB2' ' A' ' 42' ' ' PRO . 0.3 OUTLIER . . . . . 0 CA--C 1.53 0.282 0 N-CA-C 114.143 0.786 . . . . 15.0 114.143 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt -48.05 111.69 0.47 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.317 -0.856 . . . . 15.0 111.286 179.114 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 115.26 -24.67 10.41 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.797 -0.716 . . . . 15.0 112.566 179.397 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.61 ' CE2' ' HB2' ' A' ' 31' ' ' ASP . 85.4 m95 -96.34 130.6 43.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.456 0.646 . . . . 15.0 111.37 -176.533 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -113.06 150.13 32.45 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 114.858 -1.065 . . . . 15.0 109.035 176.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 7.1 p -94.14 112.01 26.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 121.608 0.718 . . . . 15.0 111.052 179.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 21.9 tpp180 -111.15 120.58 42.77 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.304 -0.628 . . . . 15.0 109.304 177.442 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 15.3 t-80 -93.68 114.59 26.93 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 120.56 -0.456 . . . . 15.0 110.752 -176.351 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.457 ' HB1' ' HD2' ' A' ' 23' ' ' PRO . . . -75.72 175.14 4.47 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 115.862 -0.608 . . . . 15.0 110.147 177.177 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.457 ' HD2' ' HB1' ' A' ' 22' ' ' ALA . 36.4 Cg_exo -61.0 -19.91 65.19 Favored 'Trans proline' 0 C--N 1.353 0.763 0 C-N-CA 122.053 1.835 . . . . 15.0 110.801 169.314 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.531 HD22 ' N ' ' A' ' 25' ' ' GLY . 0.2 OUTLIER -59.74 139.1 57.53 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 114.68 -1.145 . . . . 15.0 108.96 170.649 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.531 ' N ' HD22 ' A' ' 24' ' ' ASN . . . -71.37 48.69 0.94 Allowed Glycine 0 C--N 1.33 0.241 0 N-CA-C 110.342 -1.103 . . . . 15.0 110.342 170.308 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.751 ' HG2' ' HE3' ' A' ' 39' ' ' TRP . 52.5 ttp180 -160.18 122.13 1.8 Allowed Pre-proline 0 N--CA 1.439 -0.99 0 N-CA-C 107.807 -1.183 . . . . 15.0 107.807 -171.112 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -89.66 127.19 1.58 Allowed 'Trans proline' 0 N--CA 1.449 -1.122 0 C-N-CA 121.55 1.5 . . . . 15.0 111.337 177.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 34.5 p90 -89.96 133.47 34.77 Favored 'General case' 0 N--CA 1.443 -0.793 0 N-CA-C 108.969 -0.752 . . . . 15.0 108.969 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -89.66 137.5 32.28 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 115.219 -0.9 . . . . 15.0 109.553 -172.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 1.104 ' HB ' ' HE2' ' B' ' 117' ' ' TYR . 21.6 pt -135.24 124.23 41.18 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.69 0 N-CA-C 115.197 1.555 . . . . 15.0 115.197 -172.638 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.61 ' HB2' ' CE2' ' A' ' 17' ' ' TRP . 10.6 t70 -91.05 128.72 36.98 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 114.784 -1.098 . . . . 15.0 110.081 178.2 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 78.0 m-70 -86.17 -20.81 28.05 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 112.475 0.546 . . . . 15.0 112.475 -174.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.3 p30 -95.92 -6.16 39.78 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.252 -0.579 . . . . 15.0 111.186 -170.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.1 m -122.93 -8.88 8.32 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.247 -0.433 . . . . 15.0 111.413 178.645 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.575 ' HA ' ' CD1' ' B' ' 117' ' ' TYR . 49.8 mmtt 52.29 68.32 0.84 Allowed 'General case' 0 CA--C 1.531 0.241 0 CA-C-O 121.04 0.448 . . . . 15.0 110.461 -171.668 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 28.5 m -150.14 150.08 31.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 15.0 110.706 -177.588 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.557 ' HB ' HG22 ' A' ' 30' ' ' ILE . 9.3 t -133.01 150.1 52.18 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-O 120.895 0.379 . . . . 15.0 111.294 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 12.3 t -145.12 150.07 36.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.977 -0.556 . . . . 15.0 110.034 178.389 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.751 ' HE3' ' HG2' ' A' ' 26' ' ' ARG . 90.2 m95 -94.91 -6.94 41.44 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.778 -0.369 . . . . 15.0 111.043 -178.566 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.471 ' H ' ' HG3' ' A' ' 40' ' ' GLU . 1.1 pp20? -102.17 130.79 48.91 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.832 -0.432 . . . . 15.0 109.832 175.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -61.1 124.82 81.98 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 115.79 -0.641 . . . . 15.0 112.225 -170.754 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 1.004 ' HB2' ' HG2' ' A' ' 14' ' ' PRO . 39.0 Cg_exo . . . . . 0 CA--C 1.532 0.39 0 C-N-CA 123.331 2.687 . . . . 15.0 112.858 176.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 114' ' ' PRO . . . . . 0.484 ' HA ' ' HD3' ' B' ' 115' ' ' PRO . 65.5 Cg_exo . . . . . 0 CA--C 1.529 0.243 0 CA-C-O 120.734 0.223 . . . . 15.0 112.115 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 115' ' ' PRO . . . . . 0.484 ' HD3' ' HA ' ' B' ' 114' ' ' PRO . 34.4 Cg_exo -61.76 139.64 81.52 Favored 'Trans proline' 0 C--O 1.232 0.225 0 C-N-CA 123.117 2.545 . . . . 15.0 112.044 -178.786 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -66.16 138.26 57.58 Favored 'General case' 0 CA--C 1.508 -0.662 0 CA-C-O 121.693 0.759 . . . . 15.0 109.795 176.588 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 117' ' ' TYR . . . . . 1.104 ' HE2' ' HB ' ' A' ' 30' ' ' ILE . 13.2 t80 -109.22 119.8 40.59 Favored 'General case' 0 C--N 1.305 -1.353 0 CA-C-N 114.433 -1.258 . . . . 15.0 112.477 -168.395 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 118' ' ' MET . . . . . . . . . . . . . 61.3 mtt -151.63 89.87 1.52 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.616 -0.72 . . . . 15.0 109.1 168.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -131.08 126.65 36.37 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.054 -0.521 . . . . 15.0 110.368 -179.751 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.002 0 O-C-N 124.04 0.837 . . . . 15.0 110.766 179.786 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.8 ' HG2' ' HG2' ' A' ' 42' ' ' PRO . 28.0 Cg_exo . . . . . 0 CA--C 1.519 -0.274 0 N-CA-C 113.854 0.674 . . . . 15.0 113.854 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 58.9 mtpt 35.87 -90.45 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.436 0 O-C-N 124.492 1.12 . . . . 15.0 113.991 173.316 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -122.64 23.3 7.12 Favored Glycine 0 N--CA 1.442 -0.955 0 C-N-CA 121.037 -0.601 . . . . 15.0 113.331 -172.226 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.562 ' HA ' ' O ' ' A' ' 30' ' ' ILE . 85.5 m95 -89.97 127.43 36.03 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.149 0.5 . . . . 15.0 110.31 179.69 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -106.69 150.01 26.69 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.625 -0.716 . . . . 15.0 109.147 176.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 10.8 p -100.59 112.33 33.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 121.586 0.708 . . . . 15.0 110.608 179.62 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.55 ' HB3' ' CE1' ' A' ' 28' ' ' PHE . 14.0 tpp180 -114.67 122.86 47.77 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.582 -0.525 . . . . 15.0 109.582 179.459 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 8.5 t-80 -94.32 128.76 41.02 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.319 -0.4 . . . . 15.0 110.461 -176.269 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.452 ' HB3' ' ND2' ' A' ' 24' ' ' ASN . . . -115.89 171.8 4.32 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 116.356 -0.384 . . . . 15.0 110.818 -178.118 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_exo -63.96 0.61 1.96 Allowed 'Trans proline' 0 C--N 1.358 1.077 0 C-N-CA 123.284 2.656 . . . . 15.0 113.376 178.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.452 ' ND2' ' HB3' ' A' ' 22' ' ' ALA . 5.1 p30 -76.47 0.26 20.43 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.049 -0.523 . . . . 15.0 110.937 174.746 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 65.21 19.17 65.91 Favored Glycine 0 CA--C 1.504 -0.636 0 N-CA-C 110.031 -1.228 . . . . 15.0 110.031 -176.019 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.62 ' HD2' ' HD2' ' A' ' 27' ' ' PRO . 29.5 tpt180 -131.05 134.4 25.87 Favored Pre-proline 0 N--CA 1.436 -1.137 0 CA-C-N 114.267 -0.967 . . . . 15.0 110.171 -170.607 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.62 ' HD2' ' HD2' ' A' ' 26' ' ' ARG . 6.0 Cg_endo -89.61 115.23 0.63 Allowed 'Trans proline' 0 N--CA 1.448 -1.158 0 C-N-CA 121.852 1.702 . . . . 15.0 110.886 170.07 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.55 ' CE1' ' HB3' ' A' ' 20' ' ' ARG . 5.6 p90 -90.0 142.86 27.3 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 120.309 -0.556 . . . . 15.0 109.608 178.504 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 65.9 m-85 -93.18 129.94 39.03 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.622 -0.717 . . . . 15.0 109.67 -175.721 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 1.073 ' HB ' ' HE2' ' B' ' 117' ' ' TYR . 16.1 pt -133.7 125.91 50.34 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.467 0 N-CA-C 114.177 1.177 . . . . 15.0 114.177 -175.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.508 ' HB2' ' CE2' ' A' ' 17' ' ' TRP . 7.2 t70 -89.95 125.6 35.43 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.032 -0.985 . . . . 15.0 110.423 -179.317 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.405 ' HA ' ' OH ' ' B' ' 117' ' ' TYR . 47.2 m-70 -92.85 11.79 25.89 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.04 -0.527 . . . . 15.0 111.744 -177.091 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 57.2 m-80 -94.59 -43.79 8.14 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 121.076 -0.25 . . . . 15.0 110.915 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 11.0 t -126.51 13.66 7.58 Favored 'General case' 0 CA--C 1.536 0.422 0 N-CA-C 112.561 0.578 . . . . 15.0 112.561 -174.494 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.514 ' HA ' ' CE1' ' B' ' 117' ' ' TYR . 14.3 mptt 58.3 77.1 0.31 Allowed 'General case' 0 N--CA 1.469 0.491 0 CA-C-O 120.671 0.272 . . . . 15.0 111.631 -178.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 40.4 m -150.2 145.26 26.14 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 122.28 -0.263 . . . . 15.0 111.12 178.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.596 ' HB ' HG22 ' A' ' 30' ' ' ILE . 9.0 t -125.69 149.73 48.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.287 -0.415 . . . . 15.0 110.495 178.537 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.508 HG22 ' CZ3' ' A' ' 17' ' ' TRP . 10.1 t -149.86 150.14 31.5 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.062 0.458 . . . . 15.0 111.182 177.552 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.525 ' HZ2' ' HD3' ' B' ' 115' ' ' PRO . 12.2 m95 -105.08 1.57 28.62 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.943 -0.762 . . . . 15.0 108.943 175.693 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -81.26 -19.14 43.71 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.793 -0.64 . . . . 15.0 111.441 -175.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 16.0 t0 68.16 118.08 0.03 OUTLIER Pre-proline 0 N--CA 1.468 0.446 0 O-C-N 124.032 0.832 . . . . 15.0 112.416 -178.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.8 ' HG2' ' HG2' ' A' ' 14' ' ' PRO . 58.3 Cg_endo . . . . . 0 N--CA 1.461 -0.402 0 C-N-CA 122.521 2.147 . . . . 15.0 112.977 176.55 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 114' ' ' PRO . . . . . 0.474 ' HA ' ' HD3' ' B' ' 115' ' ' PRO . 25.3 Cg_exo . . . . . 0 C--O 1.235 0.355 0 CA-C-O 120.884 0.285 . . . . 15.0 112.643 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 115' ' ' PRO . . . . . 0.525 ' HD3' ' HZ2' ' A' ' 39' ' ' TRP . 14.3 Cg_exo -69.26 147.85 67.02 Favored 'Trans proline' 0 C--O 1.233 0.229 0 C-N-CA 123.279 2.653 . . . . 15.0 110.875 177.549 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -67.7 119.9 13.19 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.073 0.463 . . . . 15.0 109.963 -179.66 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 117' ' ' TYR . . . . . 1.073 ' HE2' ' HB ' ' A' ' 30' ' ' ILE . 2.9 t80 -92.7 126.9 37.99 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.88 -0.6 . . . . 15.0 110.436 -175.805 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 118' ' ' MET . . . . . . . . . . . . . 22.6 ptt? -179.59 58.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.588 0.709 . . . . 15.0 111.031 174.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 119' ' ' GLU . . . . . 0.403 ' HB2' ' H ' ' B' ' 120' ' ' ALA . 1.7 mp0 -91.05 -80.91 0.33 Allowed 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 115.315 -0.857 . . . . 15.0 109.151 175.775 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 120' ' ' ALA . . . . . 0.403 ' H ' ' HB2' ' B' ' 119' ' ' GLU . . . . . . . . 0 C--O 1.251 1.133 0 CA-C-O 118.3 -0.857 . . . . 15.0 109.703 177.587 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.76 ' HB2' ' CD1' ' A' ' 17' ' ' TRP . 9.2 Cg_endo . . . . . 0 N--CA 1.462 -0.364 0 N-CA-C 110.731 -0.527 . . . . 15.0 110.731 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.7 mmmm -52.84 101.91 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 113.057 0.762 . . . . 15.0 113.057 -172.491 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.09 30.44 42.31 Favored Glycine 0 N--CA 1.45 -0.372 0 CA-C-N 115.729 -0.669 . . . . 15.0 114.582 169.543 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.76 ' CD1' ' HB2' ' A' ' 14' ' ' PRO . 73.4 m95 -105.88 132.94 51.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 117.815 0.807 . . . . 15.0 111.29 177.476 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.601 ' HB2' ' CE1' ' A' ' 32' ' ' HIS . 8.9 tp10 -108.83 149.91 28.41 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.268 -0.878 . . . . 15.0 109.056 175.671 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.417 ' O ' HG13 ' A' ' 19' ' ' VAL . 6.3 p -102.83 96.59 4.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-O 121.586 0.707 . . . . 15.0 110.283 179.203 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.515 ' HD2' ' CZ ' ' A' ' 28' ' ' PHE . 24.0 ttm180 -95.03 128.61 42.0 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.753 -0.832 . . . . 15.0 108.753 178.356 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 10.0 t-80 -89.9 113.91 25.61 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 120.884 0.373 . . . . 15.0 110.663 -175.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.419 ' HB1' HD22 ' A' ' 24' ' ' ASN . . . -88.19 157.72 50.43 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-N 115.956 -0.565 . . . . 15.0 110.716 -179.736 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 21.9 Cg_exo -66.59 3.5 1.41 Allowed 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 123.126 2.55 . . . . 15.0 112.451 176.531 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.419 HD22 ' HB1' ' A' ' 22' ' ' ALA . 56.7 m-80 -77.66 8.52 4.33 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.056 -0.52 . . . . 15.0 110.975 178.487 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 61.31 30.66 74.68 Favored Glycine 0 CA--C 1.504 -0.617 0 N-CA-C 109.514 -1.434 . . . . 15.0 109.514 -169.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.748 ' HG2' ' CE3' ' A' ' 39' ' ' TRP . 17.0 tpt180 -144.41 130.75 9.97 Favored Pre-proline 0 N--CA 1.439 -0.981 0 CA-C-N 114.089 -1.055 . . . . 15.0 110.666 -168.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_endo -89.56 122.18 1.13 Allowed 'Trans proline' 0 N--CA 1.455 -0.761 0 C-N-CA 122.65 2.233 . . . . 15.0 111.122 168.576 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.515 ' CZ ' ' HD2' ' A' ' 20' ' ' ARG . 39.3 p90 -101.81 140.14 36.51 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.752 -0.462 . . . . 15.0 109.752 179.557 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -89.91 136.95 32.73 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.833 -0.622 . . . . 15.0 110.391 -174.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.859 ' HB ' ' CE2' ' B' ' 117' ' ' TYR . 27.2 pt -134.45 126.31 48.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 N-CA-C 114.885 1.439 . . . . 15.0 114.885 -175.52 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -90.08 125.01 35.27 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 114.739 -1.119 . . . . 15.0 110.461 175.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.601 ' CE1' ' HB2' ' A' ' 18' ' ' GLU . 22.1 m80 -92.7 -1.23 57.02 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.149 -0.478 . . . . 15.0 111.107 -175.574 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 45.1 m-80 -82.8 -44.14 15.87 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 121.017 -0.273 . . . . 15.0 110.632 -177.641 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 29.4 p -126.32 12.97 7.65 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 111.777 0.288 . . . . 15.0 111.777 -176.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.513 ' HD3' ' HA ' ' B' ' 118' ' ' MET . 37.2 mttm 49.56 78.62 0.09 Allowed 'General case' 0 CA--C 1.531 0.232 0 CA-C-O 121.33 0.586 . . . . 15.0 112.096 -176.382 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.8 t -142.24 149.96 40.31 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.767 -0.651 . . . . 15.0 109.666 176.219 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 11.3 t -137.36 150.03 47.42 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.952 0.406 . . . . 15.0 111.248 -173.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.41 HG22 ' CZ3' ' A' ' 17' ' ' TRP . 4.1 t -145.22 146.44 31.72 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.994 -0.548 . . . . 15.0 110.793 179.714 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.748 ' CE3' ' HG2' ' A' ' 26' ' ' ARG . 77.8 m95 -83.77 -32.25 25.51 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 109.883 -0.414 . . . . 15.0 109.883 175.166 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -82.25 139.97 33.92 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 109.245 -0.65 . . . . 15.0 109.245 178.109 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 45.2 t0 -68.15 115.91 33.71 Favored Pre-proline 0 C--N 1.321 -0.648 0 CA-C-N 115.756 -0.656 . . . . 15.0 112.431 -171.497 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.449 ' HG2' ' HG3' ' A' ' 14' ' ' PRO . 72.4 Cg_endo . . . . . 0 C--N 1.347 0.466 0 C-N-CA 123.093 2.529 . . . . 15.0 112.115 176.054 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 114' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_endo . . . . . 0 C--O 1.234 0.276 0 CA-C-O 120.839 0.266 . . . . 15.0 111.88 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 115' ' ' PRO . . . . . 0.426 ' HD3' ' CZ2' ' A' ' 39' ' ' TRP . 41.8 Cg_endo -66.64 134.19 34.45 Favored 'Trans proline' 0 C--O 1.234 0.295 0 C-N-CA 122.758 2.305 . . . . 15.0 112.162 -177.429 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -58.35 119.96 7.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.215 0.531 . . . . 15.0 109.863 176.412 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 117' ' ' TYR . . . . . 0.859 ' CE2' ' HB ' ' A' ' 30' ' ' ILE . 0.3 OUTLIER -89.43 120.66 30.95 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.035 -0.529 . . . . 15.0 111.133 -174.341 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 118' ' ' MET . . . . . 0.513 ' HA ' ' HD3' ' A' ' 35' ' ' LYS . 54.8 ttp -172.19 106.02 0.19 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.052 -0.976 . . . . 15.0 109.175 169.783 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -104.68 -83.48 0.5 Allowed 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.231 -0.655 . . . . 15.0 109.231 179.002 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.97 0 CA-C-O 118.472 -0.775 . . . . 15.0 109.183 175.619 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.743 ' HG2' ' HG2' ' A' ' 42' ' ' PRO . 36.8 Cg_exo . . . . . 0 C--O 1.235 0.341 0 N-CA-C 113.56 0.562 . . . . 15.0 113.56 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 43.9 tttm -60.82 113.18 2.36 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.54 -0.754 . . . . 15.0 110.852 179.231 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 125.64 -20.08 6.53 Favored Glycine 0 N--CA 1.449 -0.494 0 CA-C-N 115.795 -0.639 . . . . 15.0 112.23 -178.523 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.621 ' HA ' ' O ' ' A' ' 30' ' ' ILE . 83.4 m95 -103.54 128.72 50.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.177 0.513 . . . . 15.0 111.276 -179.189 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.544 ' O ' HG12 ' A' ' 30' ' ' ILE . 23.7 mt-10 -100.39 143.85 30.09 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.545 -0.752 . . . . 15.0 109.602 172.082 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 24.8 t -93.98 105.6 17.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-O 120.918 0.389 . . . . 15.0 110.246 178.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.494 ' HD2' ' CZ ' ' A' ' 28' ' ' PHE . 60.3 ttm-85 -107.52 122.26 46.29 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.282 -0.636 . . . . 15.0 109.282 179.181 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.655 ' HA ' ' HA ' ' A' ' 27' ' ' PRO . 36.1 t-80 -89.8 123.54 33.87 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.077 0.465 . . . . 15.0 110.298 -173.304 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -94.66 163.68 21.88 Favored Pre-proline 0 C--N 1.322 -0.594 0 CA-C-N 115.737 -0.665 . . . . 15.0 110.992 -177.087 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo -69.17 6.26 1.18 Allowed 'Trans proline' 0 C--N 1.349 0.59 0 C-N-CA 123.072 2.515 . . . . 15.0 112.077 173.465 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -81.19 13.68 2.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.743 -0.662 . . . . 15.0 110.671 176.726 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 56.39 30.2 58.15 Favored Glycine 0 C--N 1.337 0.606 0 N-CA-C 109.95 -1.26 . . . . 15.0 109.95 -171.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.644 ' HG2' ' CE3' ' A' ' 39' ' ' TRP . 17.1 ttt180 -149.78 136.94 11.21 Favored Pre-proline 0 N--CA 1.44 -0.968 0 CA-C-N 114.525 -0.837 . . . . 15.0 110.571 -169.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.655 ' HA ' ' HA ' ' A' ' 21' ' ' HIS . 13.1 Cg_endo -89.52 128.45 1.75 Allowed 'Trans proline' 0 N--CA 1.452 -0.915 0 C-N-CA 122.523 2.149 . . . . 15.0 111.606 171.605 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.494 ' CZ ' ' HD2' ' A' ' 20' ' ' ARG . 8.0 p90 -102.44 142.9 32.89 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-O 121.338 0.59 . . . . 15.0 109.673 174.411 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.418 ' O ' ' HA ' ' A' ' 37' ' ' THR . 98.7 m-85 -90.07 137.53 32.27 Favored 'General case' 0 CA--C 1.502 -0.869 0 CA-C-N 115.521 -0.763 . . . . 15.0 110.382 -177.267 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.771 ' HB ' ' CE2' ' B' ' 117' ' ' TYR . 26.2 pt -127.45 125.18 65.23 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.926 0 N-CA-C 114.414 1.265 . . . . 15.0 114.414 -175.689 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.473 ' HB2' ' CE2' ' A' ' 17' ' ' TRP . 5.1 t70 -97.74 126.8 43.28 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 114.034 -1.439 . . . . 15.0 110.896 -179.141 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 83.4 m-70 -91.13 -2.11 57.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.911 -0.586 . . . . 15.0 111.406 -178.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 38.1 m-80 -87.47 -54.26 4.38 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.69 0.281 . . . . 15.0 111.672 -175.166 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.41 HG22 ' O ' ' A' ' 34' ' ' THR . 7.1 m -116.85 16.0 15.25 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.134 0.492 . . . . 15.0 111.321 -172.454 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.497 ' HE2' ' HA ' ' B' ' 118' ' ' MET . 10.8 mmmm 55.54 73.69 0.41 Allowed 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.098 -0.501 . . . . 15.0 111.453 -179.705 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 7.3 p -144.59 150.19 37.04 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 112.366 0.506 . . . . 15.0 112.366 -177.258 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.469 ' OG1' ' HB2' ' B' ' 117' ' ' TYR . 98.8 m -132.53 137.03 47.0 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.547 -0.752 . . . . 15.0 110.206 177.805 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.538 HG22 ' CZ3' ' A' ' 17' ' ' TRP . 4.8 t -135.21 141.45 45.83 Favored 'General case' 0 C--O 1.224 -0.281 0 CA-C-O 121.027 0.441 . . . . 15.0 111.231 179.587 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.644 ' CE3' ' HG2' ' A' ' 26' ' ' ARG . 96.1 m95 -84.48 -11.84 55.4 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.156 -0.474 . . . . 15.0 110.205 178.424 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -114.66 134.5 55.02 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.638 -0.71 . . . . 15.0 109.705 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.434 ' HA ' ' HD2' ' A' ' 42' ' ' PRO . 25.4 t0 -48.53 118.53 7.02 Favored Pre-proline 0 N--CA 1.465 0.32 0 O-C-N 123.91 0.756 . . . . 15.0 111.165 -176.202 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.743 ' HG2' ' HG2' ' A' ' 14' ' ' PRO . 10.0 Cg_endo . . . . . 0 C--N 1.349 0.568 0 C-N-CA 123.571 2.848 . . . . 15.0 114.689 178.483 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 114' ' ' PRO . . . . . 0.452 ' HA ' ' HD3' ' B' ' 115' ' ' PRO . 31.2 Cg_endo . . . . . 0 C--O 1.235 0.347 0 CA-C-O 121.243 0.435 . . . . 15.0 113.019 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 115' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' B' ' 114' ' ' PRO . 6.5 Cg_endo -88.64 134.55 2.81 Favored 'Trans proline' 0 N--CA 1.452 -0.958 0 C-N-CA 123.436 2.758 . . . . 15.0 111.64 177.4 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -70.53 121.71 18.32 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.507 -0.553 . . . . 15.0 109.507 176.382 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 117' ' ' TYR . . . . . 0.771 ' CE2' ' HB ' ' A' ' 30' ' ' ILE . 38.8 t80 -86.83 119.8 27.44 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 120.643 -0.423 . . . . 15.0 111.454 -175.591 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 118' ' ' MET . . . . . 0.497 ' HA ' ' HE2' ' A' ' 35' ' ' LYS . 25.5 mmt -151.7 64.84 0.86 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.904 -0.589 . . . . 15.0 109.721 171.633 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -97.25 4.64 50.89 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.226 -0.443 . . . . 15.0 110.876 -179.523 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 120' ' ' ALA . . . . . 0.45 ' H ' ' HE3' ' A' ' 35' ' ' LYS . . . . . . . . 0 C--O 1.248 0.983 0 CA-C-O 118.714 -0.66 . . . . 15.0 110.241 179.357 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 51.8 t80 . . . . . 0 N--CA 1.477 0.922 0 CA-C-O 120.61 0.243 . . . . 15.0 110.351 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.442 ' N ' HD23 ' A' ' 13' ' ' LEU . 2.0 pt? -154.9 152.81 26.34 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 116.452 -0.34 . . . . 15.0 110.49 -179.592 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.687 ' HG2' ' HG2' ' A' ' 42' ' ' PRO . 9.3 Cg_exo -35.93 139.95 0.14 Allowed 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 124.774 3.649 . . . . 15.0 114.921 177.335 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 23.4 tptm -58.72 117.53 4.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 114.842 -1.072 . . . . 15.0 110.924 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 114.13 -22.37 14.12 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.848 -0.692 . . . . 15.0 112.185 179.542 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.612 ' CD1' ' HB2' ' A' ' 14' ' ' PRO . 76.5 m95 -89.91 136.73 32.87 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.884 0.85 . . . . 15.0 111.217 -177.36 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.42 ' O ' HG12 ' A' ' 30' ' ' ILE . 7.8 tt0 -101.14 144.75 29.65 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 114.226 -1.352 . . . . 15.0 108.941 177.384 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 9.9 p -106.87 119.61 56.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.509 0.671 . . . . 15.0 109.6 172.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.505 ' HB2' HD11 ' A' ' 30' ' ' ILE . 26.7 ttm180 -124.02 133.28 53.7 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 109.3 -0.63 . . . . 15.0 109.3 -178.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 4.0 t-80 -92.95 114.42 26.97 Favored 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 120.75 -0.38 . . . . 15.0 110.275 -177.286 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -93.51 163.06 25.85 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 115.909 -0.587 . . . . 15.0 110.692 -178.379 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_exo -64.28 -0.59 2.97 Favored 'Trans proline' 0 C--N 1.35 0.632 0 C-N-CA 123.059 2.506 . . . . 15.0 112.432 177.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -75.03 5.66 5.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.837 -0.619 . . . . 15.0 111.012 175.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 61.12 27.2 66.94 Favored Glycine 0 CA--C 1.505 -0.551 0 N-CA-C 109.375 -1.49 . . . . 15.0 109.375 -171.152 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.715 ' HG2' ' CE3' ' A' ' 39' ' ' TRP . 26.8 tpt180 -136.72 132.83 18.67 Favored Pre-proline 0 N--CA 1.441 -0.878 0 CA-C-N 114.221 -0.99 . . . . 15.0 110.849 -168.445 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 8.3 Cg_endo -89.62 112.35 0.52 Allowed 'Trans proline' 0 N--CA 1.449 -1.13 0 C-N-CA 122.445 2.097 . . . . 15.0 110.736 168.079 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.528 ' HD1' ' H ' ' A' ' 28' ' ' PHE . 0.9 OUTLIER -95.5 139.47 31.73 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.21 -0.663 . . . . 15.0 109.21 179.303 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.651 ' HB2' ' OG1' ' A' ' 38' ' ' THR . 92.2 m-85 -89.75 131.13 35.86 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.003 -0.544 . . . . 15.0 110.169 -174.316 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.646 ' HB ' ' CE1' ' B' ' 117' ' ' TYR . 0.0 OUTLIER -139.62 112.81 6.03 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.405 0 N-CA-C 115.029 1.492 . . . . 15.0 115.029 -172.738 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.464 ' HB2' ' CD2' ' A' ' 17' ' ' TRP . 9.9 t0 -89.99 129.45 36.32 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.571 -0.74 . . . . 15.0 110.81 178.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 62.0 m-70 -88.98 -18.64 26.99 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.472 -0.785 . . . . 15.0 111.723 -176.149 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -91.61 -20.09 22.02 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.35 -0.54 . . . . 15.0 111.854 -171.576 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.0 m -117.23 -4.01 11.44 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.84 -0.344 . . . . 15.0 111.04 176.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 48.3 mmtm 58.32 73.57 0.47 Allowed 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 122.88 0.472 . . . . 15.0 111.315 -176.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.9 p -146.52 150.09 34.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.398 -0.365 . . . . 15.0 111.439 -178.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.429 HG21 ' O ' ' B' ' 115' ' ' PRO . 9.0 t -131.74 147.87 52.53 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.078 -0.51 . . . . 15.0 109.94 177.123 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.651 ' OG1' ' HB2' ' A' ' 29' ' ' PHE . 34.2 p -144.08 149.99 37.46 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.303 -0.408 . . . . 15.0 110.454 -176.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.715 ' CE3' ' HG2' ' A' ' 26' ' ' ARG . 95.1 m95 -95.38 -33.87 12.34 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.337 -0.616 . . . . 15.0 109.337 171.356 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -88.56 140.57 29.32 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.614 -0.721 . . . . 15.0 109.656 174.678 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.422 ' HA ' ' HD2' ' A' ' 42' ' ' PRO . 9.8 t70 -54.48 121.9 35.22 Favored Pre-proline 0 C--N 1.327 -0.381 0 O-C-N 123.501 0.501 . . . . 15.0 110.508 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.687 ' HG2' ' HG2' ' A' ' 14' ' ' PRO . 11.2 Cg_endo -56.07 -10.08 3.97 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 123.714 2.943 . . . . 15.0 114.609 -177.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.53 ' HG3' ' HD3' ' A' ' 14' ' ' PRO . 77.3 mtm180 -68.55 -31.73 71.17 Favored 'General case' 0 C--N 1.328 -0.366 0 O-C-N 121.809 -0.557 . . . . 15.0 109.939 173.54 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.405 HD23 ' HB3' ' A' ' 41' ' ' ASP . 3.7 mm? -80.41 -27.31 38.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.763 -0.653 . . . . 15.0 111.193 178.335 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 57.5 mttp -128.62 97.54 4.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.861 0.362 . . . . 15.0 110.767 178.298 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 8.1 tt . . . . . 0 C--O 1.246 0.919 0 CA-C-O 118.122 -0.942 . . . . 15.0 110.311 178.811 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 15.9 p . . . . . 0 N--CA 1.476 0.873 0 N-CA-C 110.699 -0.111 . . . . 15.0 110.699 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 113' ' ' ALA . . . . . . . . . . . . . . . 72.45 97.77 0.04 OUTLIER Pre-proline 0 N--CA 1.467 0.375 0 C-N-CA 123.272 0.629 . . . . 15.0 111.656 177.602 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 114' ' ' PRO . . . . . 0.479 ' HA ' ' HD3' ' B' ' 115' ' ' PRO . 73.7 Cg_endo -75.01 132.32 15.26 Favored 'Trans proline' 0 C--O 1.234 0.321 0 C-N-CA 122.773 2.315 . . . . 15.0 112.366 -178.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 115' ' ' PRO . . . . . 0.479 ' HD3' ' HA ' ' B' ' 114' ' ' PRO . 6.3 Cg_exo -79.41 135.48 11.9 Favored 'Trans proline' 0 N--CA 1.461 -0.43 0 C-N-CA 123.117 2.545 . . . . 15.0 111.788 178.18 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -65.27 136.53 56.7 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.395 -0.965 . . . . 15.0 108.395 174.137 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 117' ' ' TYR . . . . . 0.646 ' CE1' ' HB ' ' A' ' 30' ' ' ILE . 45.3 t80 -104.25 126.17 51.13 Favored 'General case' 0 C--N 1.316 -0.878 0 C-N-CA 120.11 -0.636 . . . . 15.0 112.623 -170.526 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 118' ' ' MET . . . . . . . . . . . . . 12.7 tpt -163.35 91.53 0.7 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.13 -0.941 . . . . 15.0 109.111 166.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 -125.99 109.31 12.29 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 114.585 -1.189 . . . . 15.0 110.308 -175.389 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.97 0 CA-C-O 118.475 -0.774 . . . . 15.0 110.003 -179.482 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 8.3 p90 . . . . . 0 N--CA 1.48 1.041 0 CA-C-O 120.533 0.206 . . . . 15.0 111.52 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.6 pp -83.77 152.97 63.92 Favored Pre-proline 0 C--O 1.235 0.312 0 C-N-CA 120.707 -0.397 . . . . 15.0 110.451 175.321 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.723 ' HG2' ' HB2' ' A' ' 42' ' ' PRO . 15.3 Cg_exo -42.0 135.44 3.83 Favored 'Trans proline' 0 CA--C 1.529 0.242 0 C-N-CA 123.823 3.015 . . . . 15.0 112.611 173.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -76.08 11.82 1.35 Allowed 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 112.925 0.713 . . . . 15.0 112.925 -169.529 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.502 ' O ' ' HA ' ' A' ' 31' ' ' ASP . . . -114.14 -6.89 19.93 Favored Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 120.384 -0.912 . . . . 15.0 111.887 175.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.657 ' CE2' ' HB2' ' A' ' 31' ' ' ASP . 65.0 m95 -111.19 129.5 55.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.399 0.619 . . . . 15.0 112.183 -171.473 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -94.68 147.87 22.86 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.005 -0.998 . . . . 15.0 110.325 173.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.453 ' O ' HG13 ' A' ' 19' ' ' VAL . 7.4 p -97.77 90.96 2.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 121.652 0.739 . . . . 15.0 110.044 177.182 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' A' ' 20' ' ' ARG . 3.7 tpp180 -96.4 125.59 41.0 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.555 -0.535 . . . . 15.0 109.555 -178.083 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.471 ' HA ' ' HA ' ' A' ' 27' ' ' PRO . 7.7 t-80 -90.2 128.46 36.38 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.8 0.333 . . . . 15.0 110.744 -174.54 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -108.98 160.72 26.36 Favored Pre-proline 0 C--N 1.327 -0.405 0 CA-C-N 116.182 -0.463 . . . . 15.0 110.375 178.008 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_exo -64.36 3.65 0.77 Allowed 'Trans proline' 0 C--N 1.35 0.651 0 C-N-CA 123.185 2.59 . . . . 15.0 112.79 176.535 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -71.14 -3.15 18.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.827 -0.624 . . . . 15.0 111.105 175.085 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 69.73 12.86 68.1 Favored Glycine 0 N--CA 1.448 -0.517 0 N-CA-C 109.358 -1.497 . . . . 15.0 109.358 -168.222 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.478 ' HG2' ' HE3' ' A' ' 39' ' ' TRP . 19.5 ttp180 -130.56 132.62 24.1 Favored Pre-proline 0 N--CA 1.44 -0.937 0 CA-C-N 113.884 -1.158 . . . . 15.0 109.803 -172.463 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.471 ' HA ' ' HA ' ' A' ' 21' ' ' HIS . 7.0 Cg_endo -89.66 119.08 0.84 Allowed 'Trans proline' 0 N--CA 1.445 -1.348 0 C-N-CA 121.976 1.784 . . . . 15.0 110.695 170.242 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 49.0 p90 -89.69 137.59 32.2 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 108.944 -0.761 . . . . 15.0 108.944 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.436 ' O ' ' HA ' ' A' ' 37' ' ' THR . 96.8 m-85 -90.1 139.39 30.67 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 116.077 -0.51 . . . . 15.0 110.214 -175.684 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.604 ' HB ' ' CE2' ' B' ' 117' ' ' TYR . 10.4 pt -138.17 126.29 30.37 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.491 0 N-CA-C 114.016 1.117 . . . . 15.0 114.016 -177.69 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.657 ' HB2' ' CE2' ' A' ' 17' ' ' TRP . 15.9 t70 -89.82 132.25 35.35 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 115.175 -0.92 . . . . 15.0 109.891 179.459 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 61.6 m-70 -95.17 -22.65 17.71 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 113.109 0.781 . . . . 15.0 113.109 -174.132 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -81.76 -30.01 32.58 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 120.26 -0.576 . . . . 15.0 109.884 -177.576 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 18.0 p -134.9 103.7 5.7 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 108.174 -1.047 . . . . 15.0 108.174 170.189 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.536 ' HB3' ' CD1' ' B' ' 117' ' ' TYR . 11.7 mmmt -57.68 97.19 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 116.523 -0.308 . . . . 15.0 111.669 -166.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.7 p -145.03 150.0 36.1 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.838 -0.619 . . . . 15.0 110.622 -179.6 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.436 ' HA ' ' O ' ' A' ' 29' ' ' PHE . 10.2 t -129.03 144.94 51.35 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-O 120.685 0.279 . . . . 15.0 111.287 -177.475 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.523 ' HB ' ' OE2' ' A' ' 40' ' ' GLU . 66.4 p -133.01 150.06 52.18 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.229 -0.441 . . . . 15.0 110.695 178.314 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.478 ' HE3' ' HG2' ' A' ' 26' ' ' ARG . 99.8 m95 -93.85 -19.93 20.53 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.058 0.456 . . . . 15.0 109.974 174.616 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.523 ' OE2' ' HB ' ' A' ' 38' ' ' THR . 0.0 OUTLIER -103.8 144.5 31.41 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.734 -0.666 . . . . 15.0 110.159 175.674 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.423 ' HA ' ' HD2' ' A' ' 42' ' ' PRO . 7.2 t70 -58.52 123.15 65.42 Favored Pre-proline 0 C--N 1.324 -0.536 0 CA-C-N 115.37 -0.832 . . . . 15.0 111.392 -172.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.723 ' HB2' ' HG2' ' A' ' 14' ' ' PRO . 12.0 Cg_endo -58.23 -9.44 6.5 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.926 2.417 . . . . 15.0 114.05 177.251 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 78.5 mtm180 -62.67 -11.2 15.64 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 118.329 0.513 . . . . 15.0 110.221 172.091 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 92.4 mt -77.85 -16.96 57.9 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.965 -0.561 . . . . 15.0 110.915 173.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.439 ' O ' ' HG2' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -147.43 107.57 4.04 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-O 121.909 0.861 . . . . 15.0 110.668 175.587 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.538 HD13 ' H ' ' A' ' 46' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--O 1.248 1.008 0 CA-C-N 115.601 -0.727 . . . . 15.0 110.964 -176.668 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 8.1 t . . . . . 0 N--CA 1.479 0.989 0 N-CA-C 110.026 -0.361 . . . . 15.0 110.026 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 113' ' ' ALA . . . . . 0.424 ' HA ' ' HD3' ' B' ' 114' ' ' PRO . . . -151.75 131.88 7.14 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-N 116.551 -0.295 . . . . 15.0 111.647 -177.619 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 114' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' B' ' 113' ' ' ALA . 21.1 Cg_exo -65.08 130.56 26.05 Favored 'Trans proline' 0 C--O 1.235 0.372 0 C-N-CA 122.805 2.337 . . . . 15.0 110.929 173.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 115' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -60.14 130.17 33.22 Favored 'Trans proline' 0 N--CA 1.461 -0.4 0 C-N-CA 122.624 2.216 . . . . 15.0 112.194 -178.198 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 116' ' ' GLU . . . . . 0.519 ' CD ' ' H ' ' B' ' 116' ' ' GLU . 1.3 mp0 -56.07 133.98 52.31 Favored 'General case' 0 CA--C 1.516 -0.362 0 N-CA-C 108.664 -0.865 . . . . 15.0 108.664 175.043 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 117' ' ' TYR . . . . . 0.604 ' CE2' ' HB ' ' A' ' 30' ' ' ILE . 0.3 OUTLIER -107.3 119.88 40.61 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-O 121.377 0.608 . . . . 15.0 111.227 -169.89 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 118' ' ' MET . . . . . 0.426 ' N ' ' HD1' ' B' ' 117' ' ' TYR . 12.1 tmm? -160.03 105.75 1.56 Allowed 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 106.83 -1.545 . . . . 15.0 106.83 166.306 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 18.6 tp10 -173.49 123.52 0.37 Allowed 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.511 -0.768 . . . . 15.0 109.136 -168.357 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.875 0 CA-C-O 118.673 -0.679 . . . . 15.0 111.174 -179.056 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 22.0 p90 . . . . . 0 N--CA 1.482 1.143 0 CA-C-O 120.73 0.3 . . . . 15.0 110.897 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.5 ' HB2' ' HD2' ' A' ' 14' ' ' PRO . 0.9 OUTLIER -110.19 168.55 7.47 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 116.452 -0.34 . . . . 15.0 111.397 -173.637 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.917 ' HG2' ' HB2' ' A' ' 42' ' ' PRO . 67.4 Cg_exo -45.85 130.94 13.21 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 123.494 2.796 . . . . 15.0 113.326 175.417 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 54.5 mttm -65.64 120.72 13.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.682 -0.69 . . . . 15.0 110.676 -178.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 116.74 -15.21 14.3 Favored Glycine 0 N--CA 1.449 -0.46 0 N-CA-C 111.437 -0.665 . . . . 15.0 111.437 -177.4 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.648 ' CD1' ' HB2' ' A' ' 14' ' ' PRO . 69.6 m95 -99.34 128.95 45.51 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.31 0.576 . . . . 15.0 110.503 178.758 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.416 ' HB2' HG13 ' A' ' 30' ' ' ILE . 48.7 mm-40 -95.92 142.61 27.95 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 115.625 -0.716 . . . . 15.0 110.028 175.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 9.9 p -96.52 107.72 20.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.7 0.762 . . . . 15.0 110.068 175.082 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 21.9 tpp180 -109.36 126.01 52.97 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.996 -0.742 . . . . 15.0 108.996 -179.59 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.402 ' HA ' ' HA ' ' A' ' 27' ' ' PRO . 7.7 t-80 -91.95 120.16 32.35 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.89 0.376 . . . . 15.0 110.999 -174.574 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.452 ' HB1' ' HD2' ' A' ' 23' ' ' PRO . . . -92.59 161.62 31.69 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-N 115.832 -0.622 . . . . 15.0 110.841 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.452 ' HD2' ' HB1' ' A' ' 22' ' ' ALA . 42.3 Cg_endo -67.67 5.85 0.9 Allowed 'Trans proline' 0 C--N 1.351 0.695 0 C-N-CA 122.923 2.415 . . . . 15.0 112.478 176.768 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.51 ' HB3' ' HB3' ' A' ' 26' ' ' ARG . 64.1 t30 -80.93 4.09 20.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.721 -0.672 . . . . 15.0 109.787 176.505 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 63.1 33.28 86.83 Favored Glycine 0 CA--C 1.505 -0.564 0 N-CA-C 109.277 -1.529 . . . . 15.0 109.277 -170.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.705 ' HG2' ' CE3' ' A' ' 39' ' ' TRP . 8.7 tpt180 -142.92 130.73 11.15 Favored Pre-proline 0 N--CA 1.443 -0.776 0 CA-C-N 114.06 -1.07 . . . . 15.0 110.236 -168.343 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 26' ' ' ARG . 8.1 Cg_endo -89.76 124.38 1.27 Allowed 'Trans proline' 0 N--CA 1.453 -0.896 0 C-N-CA 122.178 1.919 . . . . 15.0 111.284 170.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 46.9 p90 -100.31 136.94 39.43 Favored 'General case' 0 N--CA 1.448 -0.531 0 N-CA-C 109.627 -0.509 . . . . 15.0 109.627 177.473 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.482 ' HB2' HG23 ' A' ' 38' ' ' THR . 80.8 m-85 -89.49 133.45 34.56 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.582 -0.735 . . . . 15.0 110.179 -175.199 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.881 ' HB ' ' HE2' ' B' ' 117' ' ' TYR . 15.1 pt -136.02 127.5 44.14 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.643 0 N-CA-C 114.756 1.391 . . . . 15.0 114.756 -174.211 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.64 ' HB2' ' CE2' ' A' ' 17' ' ' TRP . 11.2 t70 -98.03 129.56 44.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 114.936 -1.029 . . . . 15.0 111.0 -179.124 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.425 ' HE1' ' OE1' ' B' ' 119' ' ' GLU . 93.7 m-70 -87.07 -17.6 32.51 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.196 -0.456 . . . . 15.0 111.164 -179.205 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 43.6 m-80 -71.91 -59.07 2.94 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.069 0.461 . . . . 15.0 110.799 -175.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -100.36 0.49 40.07 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.773 -0.649 . . . . 15.0 111.719 -171.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.409 ' HA ' ' CD1' ' B' ' 117' ' ' TYR . 47.7 mmtm 57.71 81.12 0.15 Allowed 'General case' 0 C--O 1.232 0.143 0 CA-C-O 120.998 0.428 . . . . 15.0 110.237 -174.614 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 28.0 m -149.73 145.41 26.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.346 -0.388 . . . . 15.0 111.363 -175.079 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.687 HG21 ' HG2' ' B' ' 115' ' ' PRO . 25.6 m -124.81 140.16 53.18 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 116.07 -0.514 . . . . 15.0 110.3 179.368 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.532 HG22 ' CZ3' ' A' ' 17' ' ' TRP . 5.2 t -147.3 139.82 24.73 Favored 'General case' 0 C--O 1.223 -0.315 0 CA-C-O 120.796 0.332 . . . . 15.0 110.882 177.056 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.705 ' CE3' ' HG2' ' A' ' 26' ' ' ARG . 74.7 m95 -87.49 -15.1 38.55 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.725 -0.472 . . . . 15.0 109.725 175.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 57.1 mm-40 -94.5 132.86 38.74 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.459 -0.791 . . . . 15.0 109.665 176.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.57 ' HB3' HD23 ' A' ' 44' ' ' LEU . 11.5 t0 -57.39 120.07 37.22 Favored Pre-proline 0 C--N 1.326 -0.417 0 O-C-N 123.614 0.571 . . . . 15.0 110.337 -179.505 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.917 ' HB2' ' HG2' ' A' ' 14' ' ' PRO . 45.9 Cg_exo -58.63 -10.04 8.42 Favored 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 122.979 2.453 . . . . 15.0 114.126 -177.673 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.774 ' HG3' ' HD3' ' A' ' 14' ' ' PRO . 63.0 mtm180 -72.67 -20.56 61.22 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.752 -0.379 . . . . 15.0 110.544 175.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.57 HD23 ' HB3' ' A' ' 41' ' ' ASP . 3.9 mm? -79.65 -10.39 59.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.214 0.531 . . . . 15.0 110.274 176.208 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.501 ' O ' ' HD2' ' A' ' 45' ' ' LYS . 0.1 OUTLIER -85.45 -14.61 45.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.375 -0.83 . . . . 15.0 109.309 179.286 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 56.0 mt . . . . . 0 C--O 1.247 0.936 0 CA-C-O 118.675 -0.678 . . . . 15.0 110.12 -179.814 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 50.7 m . . . . . 0 N--CA 1.473 0.703 0 CA-C-O 120.977 0.418 . . . . 15.0 110.261 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 113' ' ' ALA . . . . . . . . . . . . . . . -150.39 160.86 32.21 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 115.674 -0.693 . . . . 15.0 109.813 -178.401 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 114' ' ' PRO . . . . . 0.45 ' HA ' ' HD2' ' B' ' 115' ' ' PRO . 50.0 Cg_exo -56.66 124.66 16.79 Favored 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 122.451 2.101 . . . . 15.0 112.266 176.493 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 115' ' ' PRO . . . . . 0.687 ' HG2' HG21 ' A' ' 37' ' ' THR . 21.2 Cg_endo -61.15 132.7 42.89 Favored 'Trans proline' 0 C--O 1.237 0.431 0 C-N-CA 122.878 2.385 . . . . 15.0 112.308 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 116' ' ' GLU . . . . . 0.472 ' H ' ' CD ' ' B' ' 116' ' ' GLU . 1.2 pm0 -63.22 119.87 10.44 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.083 -0.71 . . . . 15.0 109.083 176.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 117' ' ' TYR . . . . . 0.881 ' HE2' ' HB ' ' A' ' 30' ' ' ILE . 36.7 t80 -90.23 129.0 36.54 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 112.952 0.723 . . . . 15.0 112.952 -168.174 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 118' ' ' MET . . . . . 0.409 ' O ' ' HG3' ' B' ' 118' ' ' MET . 14.8 ptm -162.46 103.65 1.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.904 -1.044 . . . . 15.0 108.718 165.451 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 119' ' ' GLU . . . . . 0.425 ' OE1' ' HE1' ' A' ' 32' ' ' HIS . 0.5 OUTLIER -156.87 111.15 2.72 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.136 -0.69 . . . . 15.0 109.136 -175.117 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.281 -0.866 . . . . 15.0 110.839 -177.161 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 43.8 p90 . . . . . 0 N--CA 1.476 0.856 0 N-CA-C 110.321 -0.251 . . . . 15.0 110.321 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.2 pp -123.39 154.99 66.01 Favored Pre-proline 0 C--N 1.322 -0.597 0 N-CA-C 110.004 -0.369 . . . . 15.0 110.004 169.518 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.413 ' HB2' ' CD1' ' A' ' 17' ' ' TRP . 10.4 Cg_exo -44.31 127.48 7.3 Favored 'Trans proline' 0 N--CA 1.463 -0.291 0 C-N-CA 123.418 2.745 . . . . 15.0 111.845 176.132 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.665 ' HE3' ' HA ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -74.52 10.52 1.3 Allowed 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.965 0.728 . . . . 15.0 112.965 -171.334 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.596 ' O ' ' HA ' ' A' ' 31' ' ' ASP . . . -101.38 -14.9 29.08 Favored Glycine 0 N--CA 1.444 -0.801 0 C-N-CA 120.377 -0.916 . . . . 15.0 111.445 172.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.718 ' CE2' ' HB2' ' A' ' 31' ' ' ASP . 75.8 m95 -105.64 131.82 52.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.318 0.58 . . . . 15.0 111.989 -171.499 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -109.27 149.68 29.07 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.158 -0.928 . . . . 15.0 109.097 174.551 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 20.5 t -103.25 105.39 18.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 120.869 0.366 . . . . 15.0 110.291 -178.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.439 ' HD2' ' CZ ' ' A' ' 28' ' ' PHE . 40.4 ttm180 -109.9 127.39 54.7 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.993 -0.373 . . . . 15.0 109.993 179.71 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.652 ' HA ' ' HA ' ' A' ' 27' ' ' PRO . 35.8 t-80 -89.85 119.84 30.58 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.052 0.453 . . . . 15.0 110.266 -176.079 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.404 ' C ' ' H ' ' A' ' 24' ' ' ASN . . . -98.5 163.74 18.46 Favored Pre-proline 0 C--N 1.322 -0.621 0 CA-C-N 115.64 -0.709 . . . . 15.0 110.978 -176.48 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_exo -67.33 10.64 0.24 Allowed 'Trans proline' 0 C--N 1.35 0.617 0 C-N-CA 123.311 2.674 . . . . 15.0 112.752 177.108 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.404 ' H ' ' C ' ' A' ' 22' ' ' ALA . 0.9 OUTLIER -80.1 6.52 11.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 15.0 110.321 174.686 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 62.29 25.73 66.99 Favored Glycine 0 N--CA 1.446 -0.665 0 N-CA-C 109.773 -1.331 . . . . 15.0 109.773 -168.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.586 ' HG2' ' HE3' ' A' ' 39' ' ' TRP . 47.3 ttt180 -149.66 135.95 10.47 Favored Pre-proline 0 N--CA 1.441 -0.889 0 CA-C-N 114.63 -0.785 . . . . 15.0 110.873 -168.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.652 ' HA ' ' HA ' ' A' ' 21' ' ' HIS . 32.4 Cg_endo -89.87 127.73 1.57 Allowed 'Trans proline' 0 N--CA 1.454 -0.836 0 C-N-CA 122.554 2.169 . . . . 15.0 111.836 173.51 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.439 ' CZ ' ' HD2' ' A' ' 20' ' ' ARG . 2.6 p90 -99.09 146.52 26.0 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-O 121.298 0.57 . . . . 15.0 109.955 176.248 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -96.03 135.47 37.76 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 115.41 -0.813 . . . . 15.0 109.641 -178.567 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.802 ' HB ' ' CE2' ' B' ' 117' ' ' TYR . 18.0 pt -136.67 121.36 25.33 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.576 0 N-CA-C 114.448 1.277 . . . . 15.0 114.448 -174.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.718 ' HB2' ' CE2' ' A' ' 17' ' ' TRP . 8.5 t70 -90.1 131.49 35.93 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.706 -0.679 . . . . 15.0 110.8 178.668 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 49.6 m-70 -92.72 -10.88 35.51 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 113.738 1.014 . . . . 15.0 113.738 -173.573 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -108.68 -13.02 14.87 Favored 'General case' 0 N--CA 1.465 0.325 0 C-N-CA 119.677 -0.809 . . . . 15.0 111.946 -175.807 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.7 m -118.3 -8.39 10.58 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.108 -0.496 . . . . 15.0 110.634 178.325 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.526 ' HA ' ' CE1' ' B' ' 117' ' ' TYR . 14.2 mptt 56.02 78.13 0.21 Allowed 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 115.734 -0.666 . . . . 15.0 111.932 -177.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.2 p -149.94 150.2 31.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.028 -0.533 . . . . 15.0 111.431 -178.138 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 35.8 m -131.48 134.52 46.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.048 -0.524 . . . . 15.0 110.387 177.397 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.552 HG22 ' CZ3' ' A' ' 17' ' ' TRP . 8.8 t -138.48 149.21 45.19 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.843 0.354 . . . . 15.0 110.259 176.541 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.586 ' HE3' ' HG2' ' A' ' 26' ' ' ARG . 86.0 m95 -95.65 -7.17 38.31 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.149 0.499 . . . . 15.0 109.918 179.715 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -102.37 132.66 48.22 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.744 -0.662 . . . . 15.0 109.745 176.14 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.483 ' OD2' ' HD3' ' A' ' 43' ' ' ARG . 67.4 t0 -56.35 116.94 14.12 Favored Pre-proline 0 C--N 1.323 -0.557 0 CA-C-N 115.679 -0.692 . . . . 15.0 111.619 -176.475 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -60.1 -10.27 12.26 Favored 'Trans proline' 0 C--N 1.352 0.748 0 C-N-CA 122.993 2.462 . . . . 15.0 113.654 179.372 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.483 ' HD3' ' OD2' ' A' ' 41' ' ' ASP . 37.1 mtp-105 -64.58 -20.83 66.48 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.969 0.414 . . . . 15.0 110.526 175.574 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 88.5 mt -80.19 -15.29 57.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.008 -0.542 . . . . 15.0 110.883 179.509 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -91.61 -6.31 52.49 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.291 -0.413 . . . . 15.0 111.503 -175.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 11.4 tt . . . . . 0 C--O 1.251 1.165 0 CA-C-N 116.438 -0.346 . . . . 15.0 110.32 -179.822 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 9.2 m . . . . . 0 N--CA 1.472 0.631 0 CA-C-O 120.958 0.409 . . . . 15.0 109.998 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 113' ' ' ALA . . . . . . . . . . . . . . . -158.1 160.64 29.72 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 115.982 -0.554 . . . . 15.0 109.801 -177.339 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 114' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_exo -57.58 125.75 19.72 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.596 2.197 . . . . 15.0 112.289 176.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 115' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -71.55 139.86 35.11 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.761 2.307 . . . . 15.0 111.623 177.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.0 122.49 16.17 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.589 -0.523 . . . . 15.0 109.589 177.577 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 117' ' ' TYR . . . . . 0.802 ' CE2' ' HB ' ' A' ' 30' ' ' ILE . 38.8 t80 -96.5 121.29 38.16 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.095 0.474 . . . . 15.0 112.036 -170.033 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 118' ' ' MET . . . . . . . . . . . . . 14.5 tpt -152.38 48.87 0.76 Allowed 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 123.05 1.405 . . . . 15.0 108.565 170.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 119' ' ' GLU . . . . . 0.598 ' HB2' ' CZ ' ' B' ' 117' ' ' TYR . 9.8 mm-40 -90.66 120.35 31.65 Favored 'General case' 0 C--N 1.307 -1.268 0 CA-C-N 112.685 -2.052 . . . . 15.0 109.745 -179.099 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.647 -0.692 . . . . 15.0 110.089 176.7 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 45.2 p90 . . . . . 0 N--CA 1.48 1.049 0 CA-C-O 120.912 0.387 . . . . 15.0 110.468 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.5 ' N ' HD13 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -154.48 158.61 32.32 Favored Pre-proline 0 C--N 1.326 -0.414 0 CA-C-N 116.114 -0.494 . . . . 15.0 110.791 177.111 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.858 ' HD3' ' HD3' ' A' ' 43' ' ' ARG . 58.9 Cg_exo -41.19 150.3 0.16 Allowed 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 124.513 3.475 . . . . 15.0 114.681 179.475 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 23.3 ttmm -69.34 -22.45 63.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.286 -0.87 . . . . 15.0 110.5 177.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -82.55 -22.77 57.81 Favored Glycine 0 N--CA 1.447 -0.611 0 CA-C-N 115.684 -0.689 . . . . 15.0 112.882 -178.521 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.689 ' CE2' ' HB2' ' A' ' 31' ' ' ASP . 77.0 m95 -103.48 133.3 48.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.103 0.478 . . . . 15.0 110.6 -178.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -114.02 149.58 35.18 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 109.125 -0.695 . . . . 15.0 109.125 176.138 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 21.8 t -105.09 96.77 4.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-O 120.789 0.328 . . . . 15.0 110.377 -178.218 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 40.5 ttm180 -104.5 146.2 29.21 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.584 -0.524 . . . . 15.0 109.584 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.473 ' HA ' ' HA ' ' A' ' 27' ' ' PRO . 12.1 t-80 -96.18 128.26 42.93 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 120.84 -0.344 . . . . 15.0 110.21 -179.73 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.484 ' HB1' ' HD2' ' A' ' 23' ' ' PRO . . . -104.18 162.98 18.25 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-N 116.087 -0.506 . . . . 15.0 110.805 -179.05 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.484 ' HD2' ' HB1' ' A' ' 22' ' ' ALA . 36.8 Cg_endo -66.22 6.15 0.56 Allowed 'Trans proline' 0 C--N 1.352 0.748 0 C-N-CA 123.105 2.536 . . . . 15.0 112.453 175.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.536 ' OD1' ' HA ' ' B' ' 112' ' ' THR . 39.9 m-80 -79.81 11.34 3.31 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.602 -0.726 . . . . 15.0 110.553 176.528 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 57.98 34.15 71.3 Favored Glycine 0 CA--C 1.504 -0.628 0 N-CA-C 109.886 -1.286 . . . . 15.0 109.886 -173.363 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.545 ' HG2' ' CE3' ' A' ' 39' ' ' TRP . 9.1 ttt180 -155.05 142.63 13.99 Favored Pre-proline 0 N--CA 1.441 -0.891 0 CA-C-N 114.824 -0.688 . . . . 15.0 111.04 -167.703 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.473 ' HA ' ' HA ' ' A' ' 21' ' ' HIS . 1.9 Cg_endo -89.4 132.15 2.14 Favored 'Trans proline' 0 N--CA 1.459 -0.556 0 C-N-CA 122.592 2.195 . . . . 15.0 111.301 169.455 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.457 ' CE1' ' HB2' ' A' ' 22' ' ' ALA . 8.4 p90 -112.9 138.52 49.64 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.962 -0.563 . . . . 15.0 109.777 -179.839 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.409 ' O ' ' HA ' ' A' ' 37' ' ' THR . 89.4 m-85 -89.65 136.9 32.76 Favored 'General case' 0 CA--C 1.509 -0.619 0 CA-C-N 115.812 -0.631 . . . . 15.0 109.635 -177.12 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 1.029 ' HB ' ' HE2' ' B' ' 117' ' ' TYR . 21.2 pt -136.85 124.34 32.04 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.501 0 N-CA-C 115.286 1.587 . . . . 15.0 115.286 -173.638 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.689 ' HB2' ' CE2' ' A' ' 17' ' ' TRP . 14.7 t70 -94.07 125.61 38.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 114.676 -1.147 . . . . 15.0 110.828 179.276 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 -85.13 -7.03 59.26 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.318 -0.401 . . . . 15.0 111.672 -178.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 48.8 m-80 -83.33 -40.19 19.79 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 111.924 0.342 . . . . 15.0 111.924 -171.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.3 m -122.52 6.85 9.51 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.642 -0.254 . . . . 15.0 111.432 -175.123 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.492 ' HA ' ' CD1' ' B' ' 117' ' ' TYR . 38.3 mmtm 59.54 73.48 0.48 Allowed 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 116.456 -0.338 . . . . 15.0 110.378 -172.597 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -137.29 150.12 47.56 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.649 -0.25 . . . . 15.0 110.997 -175.59 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.409 ' HA ' ' O ' ' A' ' 29' ' ' PHE . 9.3 t -142.06 145.45 34.36 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.778 0.323 . . . . 15.0 110.631 178.199 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.402 ' OG1' ' HB2' ' A' ' 29' ' ' PHE . 80.8 p -135.56 145.21 46.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.363 -0.381 . . . . 15.0 110.919 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.545 ' CE3' ' HG2' ' A' ' 26' ' ' ARG . 97.9 m95 -88.94 -12.87 40.4 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.599 0.714 . . . . 15.0 109.273 172.786 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -107.69 140.84 40.12 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 114.809 -1.087 . . . . 15.0 109.499 178.675 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -65.91 117.09 38.81 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-N 116.609 -0.269 . . . . 15.0 110.499 176.16 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -69.3 -9.99 27.73 Favored 'Trans proline' 0 C--O 1.218 -0.484 0 C-N-CA 122.405 2.07 . . . . 15.0 113.031 179.42 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.858 ' HD3' ' HD3' ' A' ' 14' ' ' PRO . 13.4 mmm180 -74.53 -9.8 58.93 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.278 0.561 . . . . 15.0 110.458 178.174 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 91.8 mt -76.51 -12.75 60.08 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 115.351 -0.84 . . . . 15.0 110.271 168.633 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.449 ' O ' ' HB ' ' A' ' 46' ' ' ILE . 97.6 mttt -129.68 126.06 37.44 Favored 'General case' 0 CA--C 1.526 0.053 0 C-N-CA 120.749 -0.38 . . . . 15.0 111.565 -178.16 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.449 ' HB ' ' O ' ' A' ' 45' ' ' LYS . 50.5 mm . . . . . 0 C--O 1.249 1.078 0 CA-C-N 115.873 -0.603 . . . . 15.0 110.235 -177.444 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 112' ' ' THR . . . . . 0.536 ' HA ' ' OD1' ' A' ' 24' ' ' ASN . 11.7 p . . . . . 0 N--CA 1.477 0.879 0 CA-C-O 120.606 0.241 . . . . 15.0 110.404 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 113' ' ' ALA . . . . . . . . . . . . . . . -140.53 135.87 16.18 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.583 -0.281 . . . . 15.0 110.852 -178.229 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 114' ' ' PRO . . . . . 0.528 ' HA ' ' HD3' ' B' ' 115' ' ' PRO . 30.2 Cg_endo -63.42 128.76 23.32 Favored 'Trans proline' 0 C--O 1.234 0.296 0 C-N-CA 122.905 2.404 . . . . 15.0 112.245 178.524 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 115' ' ' PRO . . . . . 0.528 ' HD3' ' HA ' ' B' ' 114' ' ' PRO . 3.5 Cg_exo -80.68 136.51 10.85 Favored 'Trans proline' 0 N--CA 1.46 -0.458 0 C-N-CA 123.09 2.526 . . . . 15.0 112.166 -179.017 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -66.27 122.96 18.65 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.422 -0.584 . . . . 15.0 109.422 173.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 117' ' ' TYR . . . . . 1.029 ' HE2' ' HB ' ' A' ' 30' ' ' ILE . 18.8 t80 -88.12 121.13 30.16 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 120.293 -0.563 . . . . 15.0 111.797 -172.656 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 118' ' ' MET . . . . . . . . . . . . . 56.9 ttp -155.19 88.38 1.16 Allowed 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.271 -0.877 . . . . 15.0 109.279 165.681 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 68.7 mm-40 -128.82 105.56 8.32 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 114.603 -1.18 . . . . 15.0 110.242 -176.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.876 0 CA-C-O 118.403 -0.808 . . . . 15.0 110.291 178.871 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 25.8 p90 . . . . . 0 N--CA 1.479 1.001 0 CA-C-O 121.011 0.434 . . . . 15.0 110.36 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.876 HD11 ' HB ' ' A' ' 19' ' ' VAL . 61.3 mt -131.4 161.39 62.32 Favored Pre-proline 0 C--N 1.323 -0.545 0 CA-C-N 116.574 -0.285 . . . . 15.0 110.366 -179.667 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.812 ' HG2' ' HB2' ' A' ' 42' ' ' PRO . 19.4 Cg_exo -40.68 128.44 2.59 Favored 'Trans proline' 0 N--CA 1.463 -0.279 0 C-N-CA 123.42 2.747 . . . . 15.0 111.966 167.367 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.7 tppp? -52.76 111.32 0.64 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.945 0.402 . . . . 15.0 111.004 -178.199 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 123.25 -19.58 7.65 Favored Glycine 0 N--CA 1.446 -0.668 0 CA-C-N 115.699 -0.682 . . . . 15.0 111.612 -178.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.655 ' HA ' ' O ' ' A' ' 30' ' ' ILE . 75.1 m95 -100.91 129.63 46.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.331 0.586 . . . . 15.0 111.239 179.493 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.44 ' O ' HG12 ' A' ' 30' ' ' ILE . 21.3 mt-10 -108.05 150.11 27.58 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.006 -0.997 . . . . 15.0 109.473 175.099 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.876 ' HB ' HD11 ' A' ' 13' ' ' LEU . 8.9 p -108.47 118.01 55.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 C-N-CA 120.063 -0.655 . . . . 15.0 110.784 177.728 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.551 ' HD2' ' CZ ' ' A' ' 28' ' ' PHE . 9.1 ttm180 -118.08 136.8 53.35 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.037 -0.727 . . . . 15.0 109.037 176.696 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 5.3 t-80 -90.13 123.7 34.19 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 120.619 -0.432 . . . . 15.0 110.07 -178.494 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.49 ' HB1' ' HD2' ' A' ' 23' ' ' PRO . . . -86.81 176.41 3.55 Favored Pre-proline 0 C--N 1.323 -0.575 0 CA-C-N 115.604 -0.725 . . . . 15.0 110.852 -177.842 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.49 ' HD2' ' HB1' ' A' ' 22' ' ' ALA . 32.9 Cg_exo -59.5 -23.0 68.96 Favored 'Trans proline' 0 C--N 1.355 0.872 0 C-N-CA 122.057 1.838 . . . . 15.0 110.912 168.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.403 ' C ' ' H ' ' A' ' 26' ' ' ARG . 42.2 m-80 -60.35 145.58 47.29 Favored 'General case' 0 CA--C 1.515 -0.368 0 CA-C-N 114.937 -1.029 . . . . 15.0 109.957 169.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.88 46.49 1.17 Allowed Glycine 0 N--CA 1.453 -0.226 0 N-CA-C 110.112 -1.195 . . . . 15.0 110.112 170.41 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.566 ' HG2' ' HE3' ' A' ' 39' ' ' TRP . 44.6 ttt180 -158.28 131.99 4.9 Favored Pre-proline 0 N--CA 1.44 -0.971 0 CA-C-N 114.426 -0.887 . . . . 15.0 109.502 -168.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 26' ' ' ARG . 8.4 Cg_endo -89.45 131.44 2.05 Favored 'Trans proline' 0 N--CA 1.456 -0.724 0 C-N-CA 122.373 2.049 . . . . 15.0 111.617 172.686 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.551 ' CZ ' ' HD2' ' A' ' 20' ' ' ARG . 7.4 p90 -94.55 145.83 24.53 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.269 -0.573 . . . . 15.0 109.885 177.291 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -96.82 133.52 41.31 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.511 -0.768 . . . . 15.0 109.671 -178.383 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.655 ' O ' ' HA ' ' A' ' 17' ' ' TRP . 7.2 pt -132.35 123.78 50.75 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.539 0 N-CA-C 115.287 1.588 . . . . 15.0 115.287 -173.422 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.602 ' HB2' ' CE2' ' A' ' 17' ' ' TRP . 8.1 t70 -90.14 128.21 36.28 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 114.437 -1.256 . . . . 15.0 110.258 176.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 55.6 m-70 -91.68 -2.02 57.2 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.18 0.437 . . . . 15.0 112.18 -178.31 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 49.7 m-80 -81.34 -44.43 17.64 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.733 0.302 . . . . 15.0 110.375 -176.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 13.4 t -121.92 -0.19 9.6 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.188 -0.46 . . . . 15.0 110.782 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.83 ' HD3' ' HA ' ' B' ' 118' ' ' MET . 61.0 mttp 55.21 89.82 0.03 OUTLIER 'General case' 0 CA--C 1.526 0.055 0 CA-C-N 115.635 -0.711 . . . . 15.0 112.138 -176.301 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 39.1 m -146.46 134.03 20.95 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.58 -0.737 . . . . 15.0 110.693 176.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.771 HG21 ' HG2' ' B' ' 115' ' ' PRO . 37.8 p -96.87 129.07 44.37 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.456 -0.338 . . . . 15.0 111.277 178.448 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 68.7 p -122.56 135.59 54.67 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.884 -0.413 . . . . 15.0 109.884 174.301 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.566 ' HE3' ' HG2' ' A' ' 26' ' ' ARG . 97.1 m95 -87.72 -11.73 47.36 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.451 0.643 . . . . 15.0 109.305 174.655 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.7 mp0 -95.74 131.21 42.26 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.967 -1.015 . . . . 15.0 109.272 174.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -62.11 122.34 71.84 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 116.411 -0.359 . . . . 15.0 110.194 179.208 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.812 ' HB2' ' HG2' ' A' ' 14' ' ' PRO . 52.9 Cg_exo -56.81 -18.14 26.13 Favored 'Trans proline' 0 CA--C 1.535 0.544 0 C-N-CA 123.063 2.508 . . . . 15.0 114.463 -176.661 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 27.1 mtp180 -80.22 -19.46 46.89 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.801 -0.36 . . . . 15.0 110.741 178.505 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 92.9 mt -80.41 -11.53 59.68 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.288 -0.414 . . . . 15.0 110.914 178.445 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.405 ' HD3' ' HA ' ' A' ' 45' ' ' LYS . 25.9 mmtp -101.04 108.26 19.92 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.262 0.553 . . . . 15.0 111.027 179.181 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 5.8 tt . . . . . 0 C--O 1.25 1.102 0 CA-C-N 115.411 -0.813 . . . . 15.0 109.48 176.991 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 7.5 t . . . . . 0 N--CA 1.477 0.919 0 CA-C-O 120.811 0.339 . . . . 15.0 110.47 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 113' ' ' ALA . . . . . 0.788 ' HB3' ' HD3' ' B' ' 114' ' ' PRO . . . -65.89 -55.09 24.04 Favored Pre-proline 0 CA--C 1.534 0.354 0 CA-C-N 116.317 -0.401 . . . . 15.0 110.849 177.692 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 114' ' ' PRO . . . . . 0.788 ' HD3' ' HB3' ' B' ' 113' ' ' ALA . 2.0 Cg_endo -83.73 120.04 2.68 Favored 'Trans proline' 0 C--N 1.353 0.776 0 C-N-CA 122.386 2.057 . . . . 15.0 111.272 173.405 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 115' ' ' PRO . . . . . 0.771 ' HG2' HG21 ' A' ' 37' ' ' THR . 41.0 Cg_endo -68.97 143.99 56.64 Favored 'Trans proline' 0 C--O 1.236 0.378 0 C-N-CA 122.623 2.215 . . . . 15.0 111.999 179.003 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 116' ' ' GLU . . . . . 0.502 ' CD ' ' H ' ' B' ' 116' ' ' GLU . 1.4 pm0 -66.62 120.0 12.7 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.639 -0.504 . . . . 15.0 109.639 178.011 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 117' ' ' TYR . . . . . 0.636 ' CE2' ' HB ' ' A' ' 30' ' ' ILE . 1.0 OUTLIER -103.96 120.26 40.67 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.283 0.563 . . . . 15.0 112.244 -168.443 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 118' ' ' MET . . . . . 0.83 ' HA ' ' HD3' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -162.23 95.45 0.94 Allowed 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 115.251 -0.886 . . . . 15.0 109.632 165.451 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 119' ' ' GLU . . . . . 0.405 ' OE1' HD12 ' A' ' 30' ' ' ILE . 49.3 mt-10 -105.91 -87.37 0.46 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.438 0.637 . . . . 15.0 109.339 177.053 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.883 0 CA-C-N 114.916 -1.038 . . . . 15.0 108.47 176.348 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 37.5 p90 . . . . . 0 N--CA 1.484 1.242 0 CA-C-O 120.83 0.348 . . . . 15.0 111.076 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.595 ' H ' HD23 ' A' ' 13' ' ' LEU . 1.1 pt? -114.5 144.02 31.02 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-O 120.603 0.24 . . . . 15.0 111.02 -175.541 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.441 ' HG2' ' HB2' ' A' ' 42' ' ' PRO . 1.4 Cg_exo -33.15 131.57 0.11 Allowed 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 125.202 3.934 . . . . 15.0 114.942 176.163 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.3 tmmm? -62.07 118.7 7.67 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.032 -0.729 . . . . 15.0 109.032 172.114 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 121.49 -13.22 9.45 Favored Glycine 0 N--CA 1.446 -0.666 0 N-CA-C 111.349 -0.7 . . . . 15.0 111.349 -176.455 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.501 ' HA ' ' O ' ' A' ' 30' ' ' ILE . 73.1 m95 -108.92 121.95 46.19 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.419 0.628 . . . . 15.0 110.548 176.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.68 ' HB2' HG13 ' A' ' 30' ' ' ILE . 0.4 OUTLIER -89.96 150.09 22.3 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 114.572 -1.194 . . . . 15.0 110.276 178.497 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 10.3 p -100.64 106.59 19.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 122.255 1.026 . . . . 15.0 109.995 171.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.49 ' HB3' ' CE1' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -105.03 121.14 43.16 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 114.6 -1.182 . . . . 15.0 109.21 -177.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.427 ' HA ' ' HA ' ' A' ' 27' ' ' PRO . 9.0 t-80 -90.17 120.41 31.32 Favored 'General case' 0 C--N 1.317 -0.841 0 C-N-CA 120.105 -0.638 . . . . 15.0 110.728 -176.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.445 ' C ' ' H ' ' A' ' 24' ' ' ASN . . . -98.37 161.19 26.11 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-N 116.115 -0.493 . . . . 15.0 110.854 -179.495 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -68.58 14.1 0.2 Allowed 'Trans proline' 0 C--N 1.349 0.582 0 C-N-CA 123.107 2.538 . . . . 15.0 112.459 174.627 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.63 ' OD1' ' HA ' ' B' ' 112' ' ' THR . 43.1 m-80 -84.05 8.61 14.84 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.537 -0.756 . . . . 15.0 109.896 174.717 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 60.15 27.77 65.59 Favored Glycine 0 CA--C 1.505 -0.59 0 N-CA-C 109.702 -1.359 . . . . 15.0 109.702 -171.113 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.595 ' HG2' ' HE3' ' A' ' 39' ' ' TRP . 55.7 ttt180 -150.08 137.74 11.77 Favored Pre-proline 0 N--CA 1.44 -0.934 0 CA-C-N 114.866 -0.667 . . . . 15.0 110.577 -168.403 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.427 ' HA ' ' HA ' ' A' ' 21' ' ' HIS . 10.0 Cg_endo -89.51 125.73 1.47 Allowed 'Trans proline' 0 N--CA 1.454 -0.84 0 C-N-CA 122.479 2.12 . . . . 15.0 112.19 172.612 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.49 ' CE1' ' HB3' ' A' ' 20' ' ' ARG . 27.0 p90 -97.74 140.09 32.64 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.148 -0.686 . . . . 15.0 109.148 175.543 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -90.05 137.48 32.31 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.979 -0.555 . . . . 15.0 110.126 -174.5 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.68 HG13 ' HB2' ' A' ' 18' ' ' GLU . 3.6 pt -132.95 123.98 49.41 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.583 0 N-CA-C 116.758 2.133 . . . . 15.0 116.758 -171.006 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.08 130.96 36.18 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 114.098 -1.41 . . . . 15.0 109.54 172.641 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 45.1 m-70 -99.56 -1.9 37.1 Favored 'General case' 0 C--N 1.317 -0.812 0 C-N-CA 120.648 -0.421 . . . . 15.0 111.85 -178.347 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 37.0 m-80 -78.9 -42.5 27.01 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 120.729 0.3 . . . . 15.0 111.053 -176.101 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.7 t -127.44 11.78 6.89 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.658 0.266 . . . . 15.0 110.685 179.624 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.463 ' HD2' ' CE1' ' B' ' 117' ' ' TYR . 47.5 mmtm 54.13 72.58 0.44 Allowed 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 115.716 -0.675 . . . . 15.0 111.738 -177.781 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 15.9 p -135.2 147.53 49.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.936 -0.575 . . . . 15.0 110.493 175.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.1 t -136.52 150.09 48.47 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.722 0.296 . . . . 15.0 111.291 -174.348 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -143.65 149.97 38.06 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.356 -0.609 . . . . 15.0 109.356 177.656 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.595 ' HE3' ' HG2' ' A' ' 26' ' ' ARG . 83.8 m95 -97.4 -10.5 25.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.861 0.362 . . . . 15.0 111.132 -177.257 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 20.4 mp0 -78.34 -93.94 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.877 -0.601 . . . . 15.0 109.819 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.496 ' O ' ' HG ' ' A' ' 44' ' ' LEU . 6.5 p-10 -177.02 122.82 0.28 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 115.714 -0.676 . . . . 15.0 109.244 173.054 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.441 ' HB2' ' HG2' ' A' ' 14' ' ' PRO . 12.1 Cg_endo -56.56 -9.47 3.86 Favored 'Trans proline' 0 C--O 1.22 -0.376 0 C-N-CA 123.692 2.928 . . . . 15.0 114.738 -177.146 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 86.1 mtm180 -57.65 -20.14 31.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 118.037 0.38 . . . . 15.0 110.84 179.324 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.496 ' HG ' ' O ' ' A' ' 41' ' ' ASP . 3.9 pp -80.02 -13.87 58.99 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.29 -0.414 . . . . 15.0 111.956 177.228 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 55.9 tttp -142.52 118.96 10.92 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 121.329 0.585 . . . . 15.0 112.226 -177.604 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 5.8 tp . . . . . 0 C--O 1.247 0.932 0 CA-C-N 115.411 -0.813 . . . . 15.0 109.363 175.385 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 112' ' ' THR . . . . . 0.63 ' HA ' ' OD1' ' A' ' 24' ' ' ASN . 15.0 t . . . . . 0 N--CA 1.478 0.936 0 N-CA-C 109.702 -0.481 . . . . 15.0 109.702 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 113' ' ' ALA . . . . . . . . . . . . . . . -156.41 138.97 10.49 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-O 120.787 0.327 . . . . 15.0 111.595 -177.361 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 114' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_endo -67.88 129.97 20.79 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.92 2.413 . . . . 15.0 111.963 176.546 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 115' ' ' PRO . . . . . 0.484 ' HD3' ' HZ2' ' A' ' 39' ' ' TRP . 91.1 Cg_endo -79.52 143.11 16.84 Favored 'Trans proline' 0 C--O 1.235 0.346 0 C-N-CA 122.684 2.256 . . . . 15.0 111.939 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 116' ' ' GLU . . . . . 0.457 ' CD ' ' H ' ' B' ' 116' ' ' GLU . 1.2 pm0 -66.38 120.04 12.64 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.285 -0.635 . . . . 15.0 109.285 176.344 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 117' ' ' TYR . . . . . 0.607 ' HD1' ' N ' ' B' ' 118' ' ' MET . 0.6 OUTLIER -84.49 119.89 25.68 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.295 0.569 . . . . 15.0 111.843 -170.917 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 118' ' ' MET . . . . . 0.607 ' N ' ' HD1' ' B' ' 117' ' ' TYR . 51.3 tpp -170.05 95.45 0.26 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 114.753 -1.112 . . . . 15.0 109.231 164.349 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -158.97 123.35 4.01 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.194 -0.912 . . . . 15.0 109.664 -177.557 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.93 0 CA-C-O 118.419 -0.8 . . . . 15.0 111.597 179.9 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 37.5 p90 . . . . . 0 N--CA 1.478 0.966 0 CA-C-O 121.08 0.467 . . . . 15.0 109.961 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -141.53 155.75 66.95 Favored Pre-proline 0 C--N 1.321 -0.649 0 CA-C-N 116.383 -0.371 . . . . 15.0 111.244 -177.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.983 ' HD3' ' HB3' ' A' ' 43' ' ' ARG . 46.8 Cg_exo -40.22 131.92 2.24 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 124.264 3.309 . . . . 15.0 113.848 175.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.634 ' H ' ' HD3' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -61.58 121.43 12.73 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.829 -0.623 . . . . 15.0 110.672 176.668 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 116.97 -18.02 12.65 Favored Glycine 0 N--CA 1.447 -0.602 0 N-CA-C 111.084 -0.806 . . . . 15.0 111.084 -175.394 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.655 ' CD1' ' HB2' ' A' ' 14' ' ' PRO . 62.3 m95 -102.43 134.52 45.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.332 0.587 . . . . 15.0 110.602 179.62 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.448 ' HB2' HG13 ' A' ' 30' ' ' ILE . 53.8 mm-40 -102.23 149.62 24.12 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.076 -0.966 . . . . 15.0 109.615 174.357 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 8.9 p -104.72 127.25 59.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-O 121.417 0.627 . . . . 15.0 109.459 171.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 43.4 ttm180 -130.65 133.54 46.21 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 109.12 -0.696 . . . . 15.0 109.12 178.621 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 5.7 t-80 -89.83 116.19 27.73 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-O 120.904 0.383 . . . . 15.0 110.255 -176.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.427 ' C ' ' H ' ' A' ' 24' ' ' ASN . . . -91.81 160.51 35.99 Favored Pre-proline 0 C--N 1.322 -0.609 0 CA-C-N 115.837 -0.619 . . . . 15.0 110.532 -178.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_exo -62.2 2.77 0.56 Allowed 'Trans proline' 0 C--N 1.352 0.736 0 C-N-CA 123.042 2.495 . . . . 15.0 112.412 175.14 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.437 ' HB3' ' HB3' ' A' ' 26' ' ' ARG . 3.6 t-20 -71.8 -5.05 31.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.558 -0.747 . . . . 15.0 110.406 175.153 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 69.27 28.93 72.17 Favored Glycine 0 N--CA 1.446 -0.69 0 N-CA-C 109.278 -1.529 . . . . 15.0 109.278 -170.068 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.515 ' HG2' ' HE3' ' A' ' 39' ' ' TRP . 36.7 ttt180 -149.39 139.37 13.27 Favored Pre-proline 0 N--CA 1.44 -0.93 0 CA-C-N 114.55 -0.825 . . . . 15.0 110.835 -169.273 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 26' ' ' ARG . 9.8 Cg_endo -89.52 126.15 1.51 Allowed 'Trans proline' 0 N--CA 1.453 -0.889 0 C-N-CA 122.485 2.123 . . . . 15.0 111.589 172.42 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 12.7 p90 -103.2 137.58 41.16 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.779 -0.452 . . . . 15.0 109.779 178.654 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -89.65 135.7 33.46 Favored 'General case' 0 CA--C 1.51 -0.584 0 CA-C-N 115.845 -0.616 . . . . 15.0 109.747 -175.668 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 1.059 ' HB ' ' HE2' ' B' ' 117' ' ' TYR . 19.2 pt -137.49 123.16 26.0 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.522 0 N-CA-C 115.346 1.61 . . . . 15.0 115.346 -172.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.604 ' HB2' ' CE2' ' A' ' 17' ' ' TRP . 8.8 t70 -90.05 126.11 35.65 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 115.087 -0.96 . . . . 15.0 110.84 178.237 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 67.9 m-70 -87.4 -14.49 40.47 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.36 -0.382 . . . . 15.0 111.197 -178.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 51.7 m-80 -72.49 -60.4 2.25 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.775 0.321 . . . . 15.0 111.185 -174.65 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 73.4 p -103.32 2.85 34.65 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.814 -0.63 . . . . 15.0 111.225 -174.497 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.401 ' HE2' ' SD ' ' B' ' 118' ' ' MET . 48.5 mmtm 60.49 76.42 0.37 Allowed 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 115.93 -0.577 . . . . 15.0 110.966 -179.062 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 14.4 t -149.95 150.39 31.78 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 116.118 -0.492 . . . . 15.0 110.684 -179.612 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.2 t -134.38 150.05 50.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.034 0.445 . . . . 15.0 111.376 -177.175 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.527 HG22 ' CZ3' ' A' ' 17' ' ' TRP . 4.4 t -145.95 142.95 29.19 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.862 -0.608 . . . . 15.0 110.547 177.686 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.515 ' HE3' ' HG2' ' A' ' 26' ' ' ARG . 85.7 m95 -86.88 -14.38 42.13 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.035 0.445 . . . . 15.0 110.1 177.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -104.84 138.44 41.09 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.569 -0.741 . . . . 15.0 109.716 178.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -52.93 115.46 7.41 Favored Pre-proline 0 N--CA 1.465 0.296 0 O-C-N 123.615 0.572 . . . . 15.0 112.033 -178.52 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.621 ' HG2' ' HG2' ' A' ' 14' ' ' PRO . 37.8 Cg_endo -71.32 -12.27 29.61 Favored 'Trans proline' 0 N--CA 1.461 -0.427 0 C-N-CA 121.605 1.537 . . . . 15.0 112.026 173.524 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.983 ' HB3' ' HD3' ' A' ' 14' ' ' PRO . 4.9 ppt_? -80.1 -16.0 55.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.349 0.595 . . . . 15.0 109.54 173.277 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.434 ' O ' HD13 ' A' ' 44' ' ' LEU . 3.2 tm? -79.93 -36.58 36.1 Favored 'General case' 0 N--CA 1.444 -0.772 0 CA-C-N 115.273 -0.876 . . . . 15.0 108.969 174.292 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.55 98.82 9.37 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 120.163 -0.615 . . . . 15.0 110.992 -177.592 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 66.7 mt . . . . . 0 C--O 1.247 0.963 0 CA-C-O 118.166 -0.921 . . . . 15.0 109.45 177.303 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 1.7 p . . . . . 0 N--CA 1.475 0.813 0 CA-C-O 121.056 0.455 . . . . 15.0 110.512 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 113' ' ' ALA . . . . . . . . . . . . . . . -131.81 129.21 21.89 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 116.132 -0.485 . . . . 15.0 110.913 -177.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 114' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -66.3 122.82 10.39 Favored 'Trans proline' 0 C--O 1.234 0.31 0 C-N-CA 122.696 2.264 . . . . 15.0 111.998 177.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 115' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -69.07 133.63 27.34 Favored 'Trans proline' 0 C--O 1.234 0.322 0 C-N-CA 122.777 2.318 . . . . 15.0 112.252 -179.34 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -56.72 122.37 11.96 Favored 'General case' 0 C--O 1.233 0.197 0 N-CA-C 109.26 -0.644 . . . . 15.0 109.26 173.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 117' ' ' TYR . . . . . 1.059 ' HE2' ' HB ' ' A' ' 30' ' ' ILE . 9.2 t80 -95.41 123.09 38.77 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 112.902 0.704 . . . . 15.0 112.902 -166.634 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 118' ' ' MET . . . . . 0.401 ' SD ' ' HE2' ' A' ' 35' ' ' LYS . 14.1 tpt -161.45 80.53 0.59 Allowed 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 114.835 -1.075 . . . . 15.0 108.214 162.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 40.8 mm-40 -119.01 124.77 47.79 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 114.082 -1.417 . . . . 15.0 111.235 -170.411 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.058 0 CA-C-N 115.408 -0.815 . . . . 15.0 108.893 174.08 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 69.1 t80 . . . . . 0 N--CA 1.479 0.979 0 CA-C-O 120.847 0.356 . . . . 15.0 110.836 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.648 ' HB2' ' HD2' ' A' ' 14' ' ' PRO . 1.5 pp -137.47 171.53 8.35 Favored Pre-proline 0 C--N 1.327 -0.37 0 O-C-N 122.298 -0.251 . . . . 15.0 110.749 -179.085 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.648 ' HD2' ' HB2' ' A' ' 13' ' ' LEU . 25.3 Cg_exo -40.5 136.67 1.74 Allowed 'Trans proline' 0 C--N 1.353 0.768 0 C-N-CA 123.673 2.916 . . . . 15.0 113.609 177.343 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.8 ptpp? -68.27 -13.07 61.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.274 -0.421 . . . . 15.0 111.05 -179.392 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -82.53 -20.84 61.18 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.94 -0.647 . . . . 15.0 112.155 178.089 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.567 ' HA ' ' O ' ' A' ' 30' ' ' ILE . 74.3 m95 -108.31 142.5 38.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.204 0.526 . . . . 15.0 110.344 -178.529 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -115.57 149.97 37.38 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 109.093 -0.706 . . . . 15.0 109.093 174.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.445 ' O ' HG13 ' A' ' 19' ' ' VAL . 7.5 p -103.17 91.61 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-O 121.768 0.794 . . . . 15.0 110.449 179.588 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.606 ' HD2' ' CZ ' ' A' ' 28' ' ' PHE . 11.6 ttm180 -95.24 123.6 38.84 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.858 -0.793 . . . . 15.0 108.858 179.254 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.455 ' HA ' ' HA ' ' A' ' 27' ' ' PRO . 18.6 t-80 -89.94 127.65 36.07 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.072 0.463 . . . . 15.0 110.838 -172.831 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.408 ' C ' ' H ' ' A' ' 24' ' ' ASN . . . -101.63 161.32 23.89 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 115.785 -0.643 . . . . 15.0 110.974 -178.038 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_exo -66.99 6.86 0.51 Allowed 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 123.147 2.565 . . . . 15.0 111.973 173.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.408 ' H ' ' C ' ' A' ' 22' ' ' ALA . 2.7 t-20 -74.66 0.54 14.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.756 -0.656 . . . . 15.0 110.112 175.402 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 65.17 26.37 71.51 Favored Glycine 0 N--CA 1.445 -0.723 0 N-CA-C 109.377 -1.489 . . . . 15.0 109.377 -170.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.558 ' HG2' ' CE3' ' A' ' 39' ' ' TRP . 15.8 ttp180 -145.51 138.89 14.36 Favored Pre-proline 0 N--CA 1.443 -0.81 0 CA-C-N 114.25 -0.975 . . . . 15.0 110.507 -171.732 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.455 ' HA ' ' HA ' ' A' ' 21' ' ' HIS . 4.9 Cg_endo -89.54 123.41 1.24 Allowed 'Trans proline' 0 N--CA 1.452 -0.967 0 C-N-CA 122.442 2.095 . . . . 15.0 111.452 169.679 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.606 ' CZ ' ' HD2' ' A' ' 20' ' ' ARG . 14.9 p90 -94.58 140.19 30.18 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 120.127 -0.629 . . . . 15.0 109.473 176.54 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.401 ' HB2' ' OG1' ' A' ' 38' ' ' THR . 78.9 m-85 -90.6 132.53 35.68 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.035 -0.53 . . . . 15.0 109.938 -177.223 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.882 ' HB ' ' HE2' ' B' ' 117' ' ' TYR . 15.2 pt -133.57 126.4 51.59 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 N-CA-C 114.644 1.35 . . . . 15.0 114.644 -175.765 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.489 ' HB2' ' CE2' ' A' ' 17' ' ' TRP . 17.0 t70 -90.28 128.47 36.43 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-N 115.205 -0.907 . . . . 15.0 110.155 178.254 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 80.4 m-70 -88.25 -12.09 44.67 Favored 'General case' 0 N--CA 1.462 0.16 0 O-C-N 124.032 0.832 . . . . 15.0 111.464 -176.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 34.1 m-80 -78.82 -33.92 45.69 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.675 0.75 . . . . 15.0 109.602 -176.125 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 41.0 m -149.76 110.78 4.35 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 114.762 -1.108 . . . . 15.0 108.236 172.48 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.574 ' HB3' ' HB3' ' B' ' 117' ' ' TYR . 61.3 mttp -34.91 98.98 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.265 0 O-C-N 124.304 1.003 . . . . 15.0 113.009 -174.582 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.407 ' O ' ' HA ' ' A' ' 30' ' ' ILE . 38.1 m -138.59 137.51 37.04 Favored 'General case' 0 CA--C 1.531 0.245 0 N-CA-C 112.103 0.409 . . . . 15.0 112.103 178.504 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.507 HG22 HG22 ' A' ' 30' ' ' ILE . 10.8 p -119.9 127.25 52.52 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.893 -0.594 . . . . 15.0 110.826 176.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.401 ' OG1' ' HB2' ' A' ' 29' ' ' PHE . 71.7 p -128.59 144.34 51.13 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 121.133 -0.227 . . . . 15.0 110.497 175.364 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.558 ' CE3' ' HG2' ' A' ' 26' ' ' ARG . 94.7 m95 -93.73 -11.28 31.79 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 108.719 -0.845 . . . . 15.0 108.719 173.489 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -108.3 138.64 44.25 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.635 -1.166 . . . . 15.0 109.603 177.227 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.438 ' OD1' ' HB2' ' A' ' 43' ' ' ARG . 12.8 t70 -63.2 123.18 79.55 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-N 116.255 -0.429 . . . . 15.0 111.446 -175.801 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -71.59 -10.08 26.1 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 123.404 2.736 . . . . 15.0 114.536 -175.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.438 ' HB2' ' OD1' ' A' ' 41' ' ' ASP . 79.6 mtm180 -65.26 -15.83 62.91 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 118.229 0.468 . . . . 15.0 110.63 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 95.3 mt -80.07 -11.77 59.74 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.955 -0.566 . . . . 15.0 110.751 174.378 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.2 tppp? -103.08 -19.28 14.61 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.06 0.457 . . . . 15.0 110.938 -178.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 14.9 pt . . . . . 0 C--O 1.25 1.095 0 CA-C-O 118.107 -0.949 . . . . 15.0 110.981 -179.302 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 39.5 m . . . . . 0 N--CA 1.475 0.786 0 CA-C-O 120.847 0.356 . . . . 15.0 110.245 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 113' ' ' ALA . . . . . . . . . . . . . . . -132.88 159.31 73.11 Favored Pre-proline 0 C--N 1.325 -0.481 0 CA-C-N 116.195 -0.457 . . . . 15.0 110.94 -176.632 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 114' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -60.16 126.19 19.54 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.639 2.226 . . . . 15.0 111.808 175.162 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 115' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -66.35 139.78 55.82 Favored 'Trans proline' 0 N--CA 1.465 -0.189 0 C-N-CA 122.662 2.242 . . . . 15.0 111.774 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 116' ' ' GLU . . . . . 0.47 ' CD ' ' H ' ' B' ' 116' ' ' GLU . 0.8 OUTLIER -67.21 120.03 13.09 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.955 0.407 . . . . 15.0 110.023 178.19 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 117' ' ' TYR . . . . . 0.882 ' HE2' ' HB ' ' A' ' 30' ' ' ILE . 0.9 OUTLIER -74.31 119.68 18.84 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.424 -0.353 . . . . 15.0 110.116 -177.36 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 118' ' ' MET . . . . . . . . . . . . . 86.4 mmm -156.13 104.71 2.28 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.445 -0.798 . . . . 15.0 109.364 173.435 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -122.49 -14.2 7.85 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 109.112 -0.699 . . . . 15.0 109.112 173.593 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.244 0.807 0 CA-C-N 114.946 -1.024 . . . . 15.0 109.323 -178.981 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 66.8 t80 . . . . . 0 N--CA 1.478 0.926 0 CA-C-O 121.019 0.438 . . . . 15.0 110.572 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.561 ' HB3' ' HD2' ' A' ' 14' ' ' PRO . 4.1 mp -145.4 177.94 1.6 Allowed Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 108.987 -0.745 . . . . 15.0 108.987 178.472 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 1.07 ' HG2' ' HG2' ' A' ' 42' ' ' PRO . 12.0 Cg_exo -43.75 -131.35 0.0 OUTLIER 'Trans proline' 0 CA--C 1.545 1.027 0 C-N-CA 123.891 3.06 . . . . 15.0 114.216 160.382 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.9 tmtm? -144.06 118.05 9.42 Favored 'General case' 0 C--N 1.329 -0.313 0 O-C-N 121.76 -0.588 . . . . 15.0 109.549 176.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 100.32 1.23 55.71 Favored Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 120.798 -0.715 . . . . 15.0 111.836 179.256 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.536 ' HA ' ' O ' ' A' ' 30' ' ' ILE . 89.1 m95 -104.83 125.56 51.0 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.369 0.604 . . . . 15.0 110.907 -179.486 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.548 ' HB2' HG13 ' A' ' 30' ' ' ILE . 32.9 mm-40 -97.39 149.95 21.56 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 115.008 -0.996 . . . . 15.0 109.342 175.119 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 7.3 p -99.09 108.44 22.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-O 121.607 0.717 . . . . 15.0 110.351 177.662 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.59 ' HD2' ' CZ ' ' A' ' 28' ' ' PHE . 37.2 ttm-85 -109.69 126.9 54.18 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.926 -0.579 . . . . 15.0 109.688 179.079 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.417 ' HE1' ' HA2' ' A' ' 25' ' ' GLY . 5.1 t-80 -93.83 124.09 37.6 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.321 -0.4 . . . . 15.0 110.519 -176.659 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.507 ' HB1' ' HD2' ' A' ' 23' ' ' PRO . . . -83.25 179.31 1.98 Allowed Pre-proline 0 C--N 1.325 -0.458 0 CA-C-N 115.979 -0.555 . . . . 15.0 110.288 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.507 ' HD2' ' HB1' ' A' ' 22' ' ' ALA . 31.9 Cg_exo -61.1 -14.08 31.46 Favored 'Trans proline' 0 C--N 1.353 0.812 0 C-N-CA 121.967 1.778 . . . . 15.0 111.092 167.598 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 43.3 t-20 -77.69 137.93 38.78 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 114.941 -1.027 . . . . 15.0 108.348 170.341 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.417 ' HA2' ' HE1' ' A' ' 21' ' ' HIS . . . -57.38 -15.09 14.79 Favored Glycine 0 C--N 1.335 0.483 0 N-CA-C 110.964 -0.854 . . . . 15.0 110.964 173.148 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.536 ' HG2' ' CE3' ' A' ' 39' ' ' TRP . 9.7 tpt180 -72.65 129.9 86.33 Favored Pre-proline 0 N--CA 1.44 -0.927 0 CA-C-N 114.314 -0.943 . . . . 15.0 111.449 173.058 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 26' ' ' ARG . 2.2 Cg_endo -89.59 135.92 2.6 Favored 'Trans proline' 0 N--CA 1.461 -0.383 0 C-N-CA 122.844 2.362 . . . . 15.0 111.356 168.033 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.59 ' CZ ' ' HD2' ' A' ' 20' ' ' ARG . 52.3 p90 -110.6 150.07 29.49 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 120.658 -0.417 . . . . 15.0 110.081 178.025 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 74.5 m-85 -97.84 141.3 31.0 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.831 -0.622 . . . . 15.0 110.99 -172.376 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.733 ' HB ' ' CE2' ' B' ' 117' ' ' TYR . 10.7 pt -134.05 126.35 49.88 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.319 0 N-CA-C 114.579 1.325 . . . . 15.0 114.579 -177.169 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -94.59 130.01 41.21 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 114.695 -1.139 . . . . 15.0 111.318 179.531 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 43.4 m-70 -96.61 3.92 52.26 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.722 -0.672 . . . . 15.0 111.867 -177.507 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 48.5 m-80 -86.46 -40.71 15.06 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.768 -0.373 . . . . 15.0 111.148 -177.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.8 t -138.18 21.76 2.79 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 116.725 -0.216 . . . . 15.0 111.55 -176.245 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 58.5 mttp 49.93 70.75 0.46 Allowed 'General case' 0 C--O 1.233 0.22 0 CA-C-O 121.302 0.572 . . . . 15.0 112.146 -178.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 21.6 p -132.31 150.06 52.23 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.626 -0.715 . . . . 15.0 110.323 178.552 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.1 t -137.61 149.95 47.04 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.999 0.428 . . . . 15.0 110.858 -177.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 7.7 t -150.06 146.31 26.88 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.95 -0.568 . . . . 15.0 109.876 179.416 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.536 ' CE3' ' HG2' ' A' ' 26' ' ' ARG . 92.4 m95 -88.0 -36.3 17.11 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 109.957 -0.386 . . . . 15.0 109.957 178.714 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.634 ' HB3' HD21 ' A' ' 44' ' ' LEU . 74.1 mm-40 -82.57 131.34 35.21 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.709 -0.848 . . . . 15.0 108.709 173.523 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.752 ' O ' ' HG ' ' A' ' 44' ' ' LEU . 11.4 t0 -52.61 122.93 28.61 Favored Pre-proline 0 C--N 1.33 -0.275 0 O-C-N 123.542 0.526 . . . . 15.0 110.621 -176.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 1.07 ' HG2' ' HG2' ' A' ' 14' ' ' PRO . 15.0 Cg_endo -57.47 -9.85 5.83 Favored 'Trans proline' 0 CA--C 1.528 0.211 0 C-N-CA 123.692 2.928 . . . . 15.0 114.2 -177.505 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.571 ' HG3' ' HD3' ' A' ' 14' ' ' PRO . 61.9 mtt180 -61.09 -31.11 70.8 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.573 -0.451 . . . . 15.0 110.754 174.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.752 ' HG ' ' O ' ' A' ' 41' ' ' ASP . 4.2 pp -80.3 -15.6 56.55 Favored 'General case' 0 C--O 1.233 0.233 0 C-N-CA 120.918 -0.313 . . . . 15.0 111.396 178.174 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.479 ' HB3' ' HE2' ' A' ' 45' ' ' LYS . 32.5 ttpt -173.94 112.26 0.18 Allowed 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.477 -0.328 . . . . 15.0 110.68 -178.645 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 4.3 tp . . . . . 0 C--O 1.248 1.016 0 CA-C-N 116.189 -0.459 . . . . 15.0 110.03 177.249 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 14.7 t . . . . . 0 N--CA 1.475 0.812 0 N-CA-C 110.218 -0.29 . . . . 15.0 110.218 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 113' ' ' ALA . . . . . 0.679 ' HB3' ' HD3' ' B' ' 114' ' ' PRO . . . -72.34 -54.32 5.54 Favored Pre-proline 0 CA--C 1.537 0.444 0 N-CA-C 111.993 0.368 . . . . 15.0 111.993 -178.017 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 114' ' ' PRO . . . . . 0.679 ' HD3' ' HB3' ' B' ' 113' ' ' ALA . 17.4 Cg_exo -67.83 119.95 6.96 Favored 'Trans proline' 0 C--N 1.355 0.917 0 C-N-CA 121.788 1.659 . . . . 15.0 112.121 178.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 115' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -79.11 143.6 17.96 Favored 'Trans proline' 0 N--CA 1.463 -0.307 0 C-N-CA 122.849 2.366 . . . . 15.0 112.236 179.573 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 116' ' ' GLU . . . . . 0.462 ' CD ' ' H ' ' B' ' 116' ' ' GLU . 1.0 OUTLIER -70.1 133.79 47.52 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 108.93 -0.767 . . . . 15.0 108.93 176.29 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 117' ' ' TYR . . . . . 0.733 ' CE2' ' HB ' ' A' ' 30' ' ' ILE . 0.8 OUTLIER -100.05 123.43 44.28 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 121.046 0.45 . . . . 15.0 111.402 -175.461 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 118' ' ' MET . . . . . . . . . . . . . 13.1 tpt -170.99 99.64 0.21 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.293 -0.867 . . . . 15.0 109.654 169.463 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -113.22 -54.94 2.58 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.191 -0.67 . . . . 15.0 109.191 175.06 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.066 0 CA-C-N 115.134 -0.939 . . . . 15.0 109.085 175.569 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 88.0 t80 . . . . . 0 N--CA 1.478 0.972 0 CA-C-O 121.108 0.48 . . . . 15.0 111.037 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.696 ' HB2' ' HD2' ' A' ' 14' ' ' PRO . 0.8 OUTLIER -163.79 176.82 2.05 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-N 115.221 -0.9 . . . . 15.0 108.583 174.234 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.696 ' HD2' ' HB2' ' A' ' 13' ' ' LEU . 42.9 Cg_exo -43.84 126.4 5.82 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.671 2.248 . . . . 15.0 112.131 173.668 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -69.45 -3.8 15.95 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.448 -0.342 . . . . 15.0 111.852 -173.437 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -92.39 -16.49 49.56 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 121.145 -0.55 . . . . 15.0 112.208 176.04 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.528 ' HA ' ' O ' ' A' ' 30' ' ' ILE . 64.2 m95 -100.27 135.16 42.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.144 0.497 . . . . 15.0 110.26 179.26 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.477 ' O ' HG12 ' A' ' 30' ' ' ILE . 18.5 mm-40 -100.62 130.77 46.72 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 116.086 -0.506 . . . . 15.0 110.023 175.611 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.458 ' O ' HG13 ' A' ' 19' ' ' VAL . 8.3 p -89.73 96.69 6.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-O 121.656 0.741 . . . . 15.0 109.751 175.002 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.569 ' HB3' ' CE1' ' A' ' 28' ' ' PHE . 4.4 tpp180 -99.53 126.61 45.52 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.867 -0.606 . . . . 15.0 109.824 -177.296 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 8.8 t-80 -89.94 110.94 21.87 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.199 0.523 . . . . 15.0 110.381 -173.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -89.51 161.29 39.94 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 115.508 -0.769 . . . . 15.0 111.033 -176.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_exo -67.48 12.53 0.19 Allowed 'Trans proline' 0 C--N 1.352 0.725 0 C-N-CA 123.457 2.771 . . . . 15.0 113.136 178.469 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.547 ' HB3' ' HB3' ' A' ' 26' ' ' ARG . 62.7 t30 -85.37 0.38 52.31 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-O 121.197 0.522 . . . . 15.0 110.165 176.684 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 66.83 21.28 71.17 Favored Glycine 0 N--CA 1.446 -0.645 0 N-CA-C 109.259 -1.537 . . . . 15.0 109.259 -166.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.81 ' HG2' ' HE3' ' A' ' 39' ' ' TRP . 44.1 ttp180 -142.15 129.18 11.24 Favored Pre-proline 0 N--CA 1.442 -0.853 0 CA-C-N 113.934 -1.133 . . . . 15.0 109.219 -171.844 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 26' ' ' ARG . 18.0 Cg_endo -89.44 130.23 1.94 Allowed 'Trans proline' 0 N--CA 1.455 -0.771 0 C-N-CA 122.296 1.998 . . . . 15.0 112.286 176.845 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.569 ' CE1' ' HB3' ' A' ' 20' ' ' ARG . 9.8 p90 -93.49 136.58 33.63 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-O 121.546 0.689 . . . . 15.0 109.867 176.592 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 67.4 m-85 -89.96 130.7 36.13 Favored 'General case' 0 C--N 1.317 -0.804 0 CA-C-N 115.108 -0.951 . . . . 15.0 108.855 -178.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.974 ' HB ' ' HE2' ' B' ' 117' ' ' TYR . 19.5 pt -133.37 127.93 54.54 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.648 0 N-CA-C 115.296 1.591 . . . . 15.0 115.296 -173.147 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.487 ' HB2' ' CE2' ' A' ' 17' ' ' TRP . 9.8 t70 -93.77 132.87 37.73 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 114.252 -1.34 . . . . 15.0 110.154 176.025 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 50.7 m-70 -91.37 -10.22 41.99 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.246 -0.434 . . . . 15.0 111.572 -175.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 37.4 m-80 -81.81 -48.04 12.09 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.889 0.376 . . . . 15.0 111.052 -172.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.465 HG22 ' OD2' ' A' ' 31' ' ' ASP . 15.4 t -115.46 10.08 15.65 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.12 -0.491 . . . . 15.0 111.919 -173.517 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.828 ' HG3' ' HD1' ' B' ' 117' ' ' TYR . 9.9 mptt 53.69 83.5 0.07 Allowed 'General case' 0 CA--C 1.53 0.18 0 CA-C-O 121.193 0.52 . . . . 15.0 111.83 -177.699 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 89.7 m -145.64 132.74 20.38 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.231 -0.44 . . . . 15.0 111.434 179.571 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.724 HG21 ' HD2' ' B' ' 115' ' ' PRO . 18.0 m -114.95 130.07 56.85 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.589 -0.732 . . . . 15.0 109.825 176.476 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.682 ' OG1' ' HG2' ' A' ' 40' ' ' GLU . 14.8 t -142.05 150.08 40.78 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.626 -0.429 . . . . 15.0 111.677 -179.447 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.81 ' HE3' ' HG2' ' A' ' 26' ' ' ARG . 17.4 m95 -113.86 -6.08 13.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.24 -0.436 . . . . 15.0 110.132 179.48 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.682 ' HG2' ' OG1' ' A' ' 38' ' ' THR . 11.8 pt-20 -82.38 -7.4 59.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 15.0 111.51 -173.594 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.432 ' OD1' ' HB2' ' A' ' 43' ' ' ARG . 11.5 t70 66.2 105.2 0.03 OUTLIER Pre-proline 0 N--CA 1.469 0.478 0 O-C-N 123.983 0.802 . . . . 15.0 110.707 -179.21 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -69.96 -11.76 31.2 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.149 1.9 . . . . 15.0 113.023 -177.574 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.678 ' HD3' ' HD3' ' A' ' 14' ' ' PRO . 27.7 mmm180 -77.65 -12.63 59.99 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.328 -0.619 . . . . 15.0 109.328 178.201 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -80.05 -14.33 58.62 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.222 -0.899 . . . . 15.0 110.391 170.136 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.442 ' HD2' ' N ' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -90.42 -7.52 52.91 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 120.38 -0.528 . . . . 15.0 112.291 -177.565 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.953 0 CA-C-O 119.235 -0.412 . . . . 15.0 110.259 171.32 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 38.3 m . . . . . 0 N--CA 1.477 0.905 0 CA-C-O 120.97 0.415 . . . . 15.0 110.574 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 113' ' ' ALA . . . . . 0.609 ' HB1' ' HD2' ' B' ' 114' ' ' PRO . . . -83.49 168.18 23.99 Favored Pre-proline 0 C--N 1.323 -0.555 0 CA-C-N 115.768 -0.651 . . . . 15.0 110.183 179.441 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 114' ' ' PRO . . . . . 0.609 ' HD2' ' HB1' ' B' ' 113' ' ' ALA . 8.1 Cg_endo -51.07 120.07 6.23 Favored 'Trans proline' 0 C--N 1.351 0.675 0 C-N-CA 122.708 2.272 . . . . 15.0 112.961 176.48 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 115' ' ' PRO . . . . . 0.724 ' HD2' HG21 ' A' ' 37' ' ' THR . 4.0 Cg_exo -77.21 135.64 15.37 Favored 'Trans proline' 0 N--CA 1.459 -0.546 0 C-N-CA 123.415 2.743 . . . . 15.0 111.348 178.177 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 116' ' ' GLU . . . . . 0.446 ' CD ' ' H ' ' B' ' 116' ' ' GLU . 0.8 OUTLIER -57.98 120.23 8.17 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.324 -0.621 . . . . 15.0 109.324 177.132 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 117' ' ' TYR . . . . . 0.974 ' HE2' ' HB ' ' A' ' 30' ' ' ILE . 49.9 t80 -84.97 124.99 32.31 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 112.987 0.736 . . . . 15.0 112.987 -168.022 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 118' ' ' MET . . . . . . . . . . . . . 52.1 tpp -164.2 99.71 0.84 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 114.822 -1.081 . . . . 15.0 108.357 164.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 119' ' ' GLU . . . . . 0.443 ' HG3' ' O ' ' B' ' 119' ' ' GLU . 4.5 tp10 -130.08 20.09 5.4 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.491 -0.777 . . . . 15.0 109.372 -173.14 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.982 0 CA-C-N 115.327 -0.851 . . . . 15.0 110.254 -173.519 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 48.2 t80 . . . . . 0 N--CA 1.478 0.932 0 CA-C-O 120.985 0.421 . . . . 15.0 110.036 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.488 ' N ' HD13 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -135.5 162.96 54.13 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.441 -0.345 . . . . 15.0 110.903 -177.276 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 1.118 ' HG2' ' HB2' ' A' ' 42' ' ' PRO . 67.8 Cg_exo -49.65 139.19 31.48 Favored 'Trans proline' 0 N--CA 1.475 0.433 0 C-N-CA 123.748 2.965 . . . . 15.0 114.247 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 36.1 ttmt -60.59 116.23 4.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.207 -0.906 . . . . 15.0 110.203 174.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 118.41 -19.37 10.73 Favored Glycine 0 N--CA 1.448 -0.511 0 N-CA-C 111.311 -0.716 . . . . 15.0 111.311 -177.563 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.549 ' CZ3' HG22 ' A' ' 38' ' ' THR . 68.8 m95 -100.87 127.54 47.29 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.227 0.537 . . . . 15.0 110.127 177.46 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.55 ' HB2' HG13 ' A' ' 30' ' ' ILE . 71.0 mm-40 -96.82 149.94 21.29 Favored 'General case' 0 C--N 1.311 -1.092 0 CA-C-N 115.42 -0.809 . . . . 15.0 109.584 176.773 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 13.9 p -101.38 114.16 39.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-O 121.591 0.71 . . . . 15.0 110.371 177.41 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.665 ' HD2' ' HZ ' ' A' ' 28' ' ' PHE . 12.9 ttm180 -118.6 141.48 48.55 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 108.623 -0.881 . . . . 15.0 108.623 178.195 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 6.7 t-80 -108.42 123.78 49.39 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 120.524 -0.47 . . . . 15.0 111.166 -174.613 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.474 ' HB1' ' HD2' ' A' ' 23' ' ' PRO . . . -86.76 177.11 2.99 Favored Pre-proline 0 C--N 1.323 -0.561 0 CA-C-N 115.612 -0.722 . . . . 15.0 109.818 176.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.474 ' HD2' ' HB1' ' A' ' 22' ' ' ALA . 32.3 Cg_exo -60.79 -18.91 58.98 Favored 'Trans proline' 0 C--N 1.354 0.856 0 C-N-CA 122.387 2.058 . . . . 15.0 111.613 169.594 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -62.55 137.33 58.24 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.255 -0.884 . . . . 15.0 109.152 170.178 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.13 55.27 0.82 Allowed Glycine 0 C--N 1.331 0.283 0 N-CA-C 110.984 -0.846 . . . . 15.0 110.984 174.158 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.481 ' HD2' ' HD2' ' A' ' 27' ' ' PRO . 31.0 tpt180 -163.82 132.96 2.94 Favored Pre-proline 0 N--CA 1.44 -0.948 0 CA-C-N 114.493 -0.854 . . . . 15.0 109.177 -170.048 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.481 ' HD2' ' HD2' ' A' ' 26' ' ' ARG . 1.7 Cg_endo -89.48 127.1 1.63 Allowed 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 122.251 1.967 . . . . 15.0 111.672 171.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.665 ' HZ ' ' HD2' ' A' ' 20' ' ' ARG . 38.1 p90 -93.98 138.59 31.91 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.112 0.482 . . . . 15.0 109.748 178.369 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.478 ' HE2' ' NH2' ' A' ' 26' ' ' ARG . 82.3 m-85 -90.23 140.4 29.71 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.702 -0.681 . . . . 15.0 110.186 -174.037 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.55 ' HB ' ' CE2' ' B' ' 117' ' ' TYR . 17.9 pt -135.67 123.5 36.74 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.768 0 N-CA-C 114.651 1.352 . . . . 15.0 114.651 -175.685 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.548 ' HB2' ' CE2' ' A' ' 17' ' ' TRP . 15.7 t70 -89.92 122.91 33.39 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.472 -0.785 . . . . 15.0 110.234 178.551 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 -90.47 -1.0 57.88 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.993 -0.549 . . . . 15.0 111.62 -176.325 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 45.9 m-80 -83.31 -50.07 8.74 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.831 0.348 . . . . 15.0 111.078 -176.377 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 14.8 t -118.96 5.91 11.37 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.988 0.423 . . . . 15.0 110.599 -179.226 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.411 ' HE3' ' O ' ' B' ' 119' ' ' GLU . 60.5 mmtt 58.6 83.14 0.13 Allowed 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 115.333 -0.848 . . . . 15.0 111.59 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 10.1 t -150.07 150.07 31.2 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.947 -0.57 . . . . 15.0 109.724 176.038 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.9 t -129.69 149.99 51.2 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.823 0.344 . . . . 15.0 110.886 -175.495 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.549 HG22 ' CZ3' ' A' ' 17' ' ' TRP . 7.2 t -144.46 145.72 32.04 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.241 -0.436 . . . . 15.0 111.054 -179.133 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.416 ' CE3' ' CG ' ' A' ' 26' ' ' ARG . 96.5 m95 -94.06 -4.12 50.01 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 109.306 -0.627 . . . . 15.0 109.306 173.383 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -101.8 119.84 39.42 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.902 -0.59 . . . . 15.0 109.545 175.26 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -49.9 114.3 4.13 Favored Pre-proline 0 C--N 1.329 -0.322 0 O-C-N 123.834 0.709 . . . . 15.0 111.365 -177.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 1.118 ' HB2' ' HG2' ' A' ' 14' ' ' PRO . 23.2 Cg_exo -59.92 -15.03 30.56 Favored 'Trans proline' 0 CA--C 1.537 0.652 0 C-N-CA 122.114 1.876 . . . . 15.0 113.906 -178.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.918 ' HG3' ' HD3' ' A' ' 14' ' ' PRO . 85.9 mtt-85 -80.33 -33.92 37.08 Favored 'General case' 0 N--CA 1.464 0.243 0 C-N-CA 120.355 -0.538 . . . . 15.0 110.858 174.453 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.412 HD13 ' HA ' ' A' ' 44' ' ' LEU . 4.5 mm? -80.09 -17.11 53.49 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.128 -0.487 . . . . 15.0 110.685 -179.831 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -143.06 105.02 4.38 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.964 -0.562 . . . . 15.0 109.503 175.503 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.849 HD13 ' H ' ' A' ' 46' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--O 1.247 0.939 0 CA-C-O 118.387 -0.816 . . . . 15.0 110.221 177.463 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 9.0 t . . . . . 0 N--CA 1.476 0.839 0 CA-C-O 120.963 0.411 . . . . 15.0 110.709 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 113' ' ' ALA . . . . . 0.633 ' HB3' ' HD3' ' B' ' 114' ' ' PRO . . . -88.69 -49.55 0.41 Allowed Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 115.957 -0.565 . . . . 15.0 111.009 175.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 114' ' ' PRO . . . . . 0.633 ' HD3' ' HB3' ' B' ' 113' ' ' ALA . 17.3 Cg_exo -68.6 131.21 22.39 Favored 'Trans proline' 0 C--N 1.354 0.841 0 C-N-CA 121.984 1.79 . . . . 15.0 111.627 173.535 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 115' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.17 143.64 54.38 Favored 'Trans proline' 0 C--O 1.233 0.249 0 C-N-CA 122.88 2.387 . . . . 15.0 111.79 177.383 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 116' ' ' GLU . . . . . 0.489 ' CD ' ' H ' ' B' ' 116' ' ' GLU . 0.6 OUTLIER -58.5 125.4 23.19 Favored 'General case' 0 C--O 1.234 0.249 0 N-CA-C 109.195 -0.668 . . . . 15.0 109.195 177.708 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 117' ' ' TYR . . . . . 0.571 ' HD1' ' N ' ' B' ' 118' ' ' MET . 0.3 OUTLIER -108.96 123.67 49.47 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 112.282 0.475 . . . . 15.0 112.282 -168.215 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 118' ' ' MET . . . . . 0.571 ' N ' ' HD1' ' B' ' 117' ' ' TYR . 19.0 ptm -179.52 105.96 0.03 OUTLIER 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.283 -0.871 . . . . 15.0 110.253 167.809 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 119' ' ' GLU . . . . . 0.528 ' HG2' ' N ' ' B' ' 120' ' ' ALA . 0.0 OUTLIER -139.83 -170.11 2.87 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.991 -0.284 . . . . 15.0 110.521 175.522 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 120' ' ' ALA . . . . . 0.528 ' N ' ' HG2' ' B' ' 119' ' ' GLU . . . . . . . . 0 C--O 1.251 1.144 0 CA-C-O 118.682 -0.675 . . . . 15.0 110.272 177.631 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.424 ' HB3' HD13 ' A' ' 13' ' ' LEU . 65.6 t80 . . . . . 0 N--CA 1.481 1.105 0 CA-C-O 121.051 0.453 . . . . 15.0 109.866 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.734 ' HB2' ' HD2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -92.73 175.07 3.47 Favored Pre-proline 0 C--N 1.326 -0.432 0 N-CA-C 109.387 -0.597 . . . . 15.0 109.387 172.957 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.734 ' HD2' ' HB2' ' A' ' 13' ' ' LEU . 16.6 Cg_exo -41.15 136.19 2.39 Favored 'Trans proline' 0 C--N 1.351 0.687 0 C-N-CA 123.09 2.527 . . . . 15.0 113.104 175.713 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.2 ptpm? -72.48 1.96 7.12 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.285 0.476 . . . . 15.0 112.285 -174.28 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -105.49 -8.03 36.01 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.67 -0.776 . . . . 15.0 112.38 178.421 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.69 ' CE2' ' HB2' ' A' ' 31' ' ' ASP . 74.1 m95 -110.82 124.88 52.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.451 0.643 . . . . 15.0 111.407 -176.412 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.694 ' HB2' HG13 ' A' ' 30' ' ' ILE . 33.9 mm-40 -91.76 144.73 25.21 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 114.981 -1.009 . . . . 15.0 109.491 175.38 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 21.3 t -104.88 104.6 17.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 120.95 0.405 . . . . 15.0 109.958 176.336 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.4 ttp85 -114.38 126.77 55.36 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.171 -0.468 . . . . 15.0 110.228 -178.425 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.628 ' HA ' ' HA ' ' A' ' 27' ' ' PRO . 29.0 t-80 -89.88 122.15 32.66 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.985 0.422 . . . . 15.0 110.805 -173.432 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.445 ' C ' ' H ' ' A' ' 24' ' ' ASN . . . -94.15 159.97 33.08 Favored Pre-proline 0 C--N 1.322 -0.606 0 CA-C-N 115.875 -0.602 . . . . 15.0 110.423 179.304 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_exo -67.72 12.0 0.22 Allowed 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 123.14 2.56 . . . . 15.0 112.419 176.135 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.595 ' OD1' ' HA ' ' B' ' 112' ' ' THR . 0.8 OUTLIER -84.0 6.57 21.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.025 -0.534 . . . . 15.0 110.371 177.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 64.73 28.82 73.84 Favored Glycine 0 N--CA 1.447 -0.598 0 N-CA-C 109.424 -1.471 . . . . 15.0 109.424 -168.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.588 ' HG2' ' CE3' ' A' ' 39' ' ' TRP . 8.2 tpt180 -147.73 130.61 7.94 Favored Pre-proline 0 N--CA 1.445 -0.701 0 CA-C-N 114.515 -0.843 . . . . 15.0 111.063 -167.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.628 ' HA ' ' HA ' ' A' ' 21' ' ' HIS . 18.7 Cg_endo -89.87 128.7 1.66 Allowed 'Trans proline' 0 N--CA 1.451 -0.974 0 C-N-CA 122.829 2.353 . . . . 15.0 111.228 169.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.47 ' HD1' HG23 ' A' ' 30' ' ' ILE . 20.7 p90 -101.21 138.81 37.75 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.69 -0.485 . . . . 15.0 109.69 176.741 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.418 ' HB2' HG23 ' A' ' 38' ' ' THR . 97.8 m-85 -90.31 136.53 33.0 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.989 -0.551 . . . . 15.0 109.647 179.84 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.694 HG13 ' HB2' ' A' ' 18' ' ' GLU . 6.0 pt -135.32 123.02 37.53 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.564 0 N-CA-C 114.794 1.405 . . . . 15.0 114.794 -174.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.69 ' HB2' ' CE2' ' A' ' 17' ' ' TRP . 9.6 t70 -89.98 122.95 33.47 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-N 114.919 -1.037 . . . . 15.0 110.61 179.477 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.534 ' CE1' ' HG3' ' B' ' 119' ' ' GLU . 21.9 m-70 -93.02 7.59 43.46 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.119 -0.491 . . . . 15.0 111.693 -178.077 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 45.2 m-80 -90.17 -37.82 13.91 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.925 0.393 . . . . 15.0 110.697 178.65 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -126.52 6.03 6.88 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.391 -0.368 . . . . 15.0 111.763 -176.592 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 62.3 mttp 50.07 68.96 0.67 Allowed 'General case' 0 CA--C 1.532 0.288 0 CA-C-O 121.812 0.815 . . . . 15.0 111.216 -173.54 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 26.5 m -137.42 142.92 41.65 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.083 -0.962 . . . . 15.0 109.348 179.347 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.0 t -124.65 149.98 46.55 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.825 0.345 . . . . 15.0 111.604 -175.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.679 HG22 ' CZ3' ' A' ' 17' ' ' TRP . 5.8 t -140.19 142.19 35.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.946 -0.57 . . . . 15.0 109.949 176.423 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.588 ' CE3' ' HG2' ' A' ' 26' ' ' ARG . 83.8 m95 -89.43 -4.62 57.92 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 120.95 0.405 . . . . 15.0 110.16 179.566 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -123.37 135.45 54.16 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.785 -0.643 . . . . 15.0 110.034 178.403 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.452 ' HA ' ' HD2' ' A' ' 42' ' ' PRO . 10.1 t70 -49.25 121.21 10.88 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-N 115.093 -0.958 . . . . 15.0 113.03 -170.044 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.452 ' HD2' ' HA ' ' A' ' 41' ' ' ASP . 26.4 Cg_endo -61.14 -9.61 12.93 Favored 'Trans proline' 0 C--N 1.349 0.586 0 C-N-CA 123.941 3.094 . . . . 15.0 115.488 -179.747 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.471 ' HG3' ' HD3' ' A' ' 14' ' ' PRO . 72.4 mtm180 -61.49 -21.36 64.12 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 118.702 0.683 . . . . 15.0 111.006 178.035 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 77.8 mt -79.89 -10.15 59.75 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.88 0.371 . . . . 15.0 110.941 175.589 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 32.4 mmmt -90.05 2.17 55.5 Favored 'General case' 0 CA--C 1.521 -0.168 0 CA-C-O 121.259 0.552 . . . . 15.0 110.327 177.327 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 61.3 mt . . . . . 0 C--O 1.247 0.97 0 CA-C-N 115.385 -0.825 . . . . 15.0 109.71 177.577 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 112' ' ' THR . . . . . 0.595 ' HA ' ' OD1' ' A' ' 24' ' ' ASN . 10.5 m . . . . . 0 N--CA 1.473 0.72 0 CA-C-O 120.936 0.398 . . . . 15.0 110.11 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 113' ' ' ALA . . . . . . . . . . . . . . . -130.15 136.62 29.3 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 116.179 -0.464 . . . . 15.0 110.259 -178.526 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 114' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -61.25 121.45 9.65 Favored 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.865 2.377 . . . . 15.0 112.465 -178.685 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 115' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -73.97 128.61 12.48 Favored 'Trans proline' 0 N--CA 1.458 -0.559 0 C-N-CA 122.372 2.048 . . . . 15.0 110.686 176.649 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -60.67 119.98 9.16 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.435 0.636 . . . . 15.0 109.597 179.13 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 117' ' ' TYR . . . . . 0.526 ' CE2' ' HB ' ' A' ' 30' ' ' ILE . 0.3 OUTLIER -83.95 120.19 25.8 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.437 -0.801 . . . . 15.0 111.935 -168.468 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 118' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -168.42 105.07 0.45 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.195 -0.911 . . . . 15.0 108.828 167.379 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 119' ' ' GLU . . . . . 0.534 ' HG3' ' CE1' ' A' ' 32' ' ' HIS . 5.6 pt-20 -149.99 116.04 5.67 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 115.026 -0.988 . . . . 15.0 109.229 178.246 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.244 0.798 0 CA-C-O 118.355 -0.831 . . . . 15.0 110.396 -174.406 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 25.9 p90 . . . . . 0 N--CA 1.477 0.888 0 N-CA-C 109.917 -0.401 . . . . 15.0 109.917 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.538 ' HB3' ' HD2' ' A' ' 14' ' ' PRO . 77.9 mt -121.88 166.45 16.71 Favored Pre-proline 0 C--N 1.322 -0.627 0 N-CA-C 109.388 -0.597 . . . . 15.0 109.388 177.068 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.804 ' HG2' ' HG2' ' A' ' 42' ' ' PRO . 89.6 Cg_exo -46.36 113.86 0.73 Allowed 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.818 2.345 . . . . 15.0 112.576 174.458 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 60.9 mtpt 38.79 -90.79 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.517 0 O-C-N 124.474 1.109 . . . . 15.0 113.4 170.137 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -136.77 57.16 0.68 Allowed Glycine 0 N--CA 1.444 -0.791 0 C-N-CA 120.753 -0.737 . . . . 15.0 113.136 -177.022 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.568 ' CD1' ' HB2' ' A' ' 14' ' ' PRO . 74.7 m95 -108.82 127.18 53.8 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.5 0.666 . . . . 15.0 111.142 178.047 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.547 ' HB2' HG13 ' A' ' 30' ' ' ILE . 6.5 mm-40 -96.07 147.62 23.53 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 114.702 -1.135 . . . . 15.0 109.575 175.053 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 23.6 t -98.71 99.1 8.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 N-CA-C 109.757 -0.46 . . . . 15.0 109.757 178.141 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.9 tpp180 -104.53 125.38 50.64 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.411 -0.588 . . . . 15.0 109.411 -178.005 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.649 ' HA ' ' HA ' ' A' ' 27' ' ' PRO . 27.1 t-80 -89.77 126.61 35.74 Favored 'General case' 0 C--N 1.322 -0.595 0 O-C-N 122.017 -0.427 . . . . 15.0 111.112 -175.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.418 ' C ' ' H ' ' A' ' 24' ' ' ASN . . . -101.31 162.31 20.91 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-N 116.19 -0.459 . . . . 15.0 110.141 177.668 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_exo -65.23 6.27 0.41 Allowed 'Trans proline' 0 C--N 1.35 0.65 0 C-N-CA 123.244 2.629 . . . . 15.0 112.722 176.5 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.418 ' H ' ' C ' ' A' ' 22' ' ' ALA . 2.4 t-20 -77.36 5.54 8.5 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.596 -0.729 . . . . 15.0 110.435 178.27 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 64.31 22.45 67.36 Favored Glycine 0 CA--C 1.505 -0.555 0 N-CA-C 109.56 -1.416 . . . . 15.0 109.56 -171.094 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.487 ' HG2' ' HE3' ' A' ' 39' ' ' TRP . 28.8 ttp180 -145.17 135.69 12.08 Favored Pre-proline 0 N--CA 1.44 -0.929 0 CA-C-N 114.292 -0.954 . . . . 15.0 110.182 -170.812 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.649 ' HA ' ' HA ' ' A' ' 21' ' ' HIS . 12.2 Cg_endo -89.52 120.24 0.96 Allowed 'Trans proline' 0 N--CA 1.447 -1.207 0 C-N-CA 122.341 2.028 . . . . 15.0 111.635 170.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 27.7 p90 -90.07 139.47 30.59 Favored 'General case' 0 N--CA 1.446 -0.657 0 N-CA-C 108.878 -0.786 . . . . 15.0 108.878 177.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.494 ' HB2' ' OG1' ' A' ' 38' ' ' THR . 97.6 m-85 -89.99 138.74 31.25 Favored 'General case' 0 CA--C 1.502 -0.877 0 CA-C-N 116.265 -0.425 . . . . 15.0 110.748 -175.501 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.704 ' HB ' ' CE2' ' B' ' 117' ' ' TYR . 13.6 pt -133.49 124.22 47.94 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.913 0 N-CA-C 114.687 1.366 . . . . 15.0 114.687 -173.521 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.568 ' HB2' ' CE2' ' A' ' 17' ' ' TRP . 19.9 t70 -89.89 120.95 31.56 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 114.515 -1.221 . . . . 15.0 109.303 176.26 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 21.0 m-70 -83.4 -5.0 59.01 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.369 -0.378 . . . . 15.0 111.698 -175.778 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 39.6 m-80 -82.01 -57.61 3.33 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.095 0.474 . . . . 15.0 110.648 -178.074 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.0 m -105.43 1.01 27.35 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.996 -0.547 . . . . 15.0 110.958 -175.093 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 54.53 88.59 0.04 OUTLIER 'General case' 0 CA--C 1.535 0.392 0 CA-C-O 121.207 0.527 . . . . 15.0 111.075 -172.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 16.2 m -143.53 140.7 30.4 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 116.261 -0.427 . . . . 15.0 110.896 178.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.548 HG22 HG22 ' A' ' 30' ' ' ILE . 13.6 p -112.23 128.33 56.22 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 120.888 0.375 . . . . 15.0 111.731 -178.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.494 ' OG1' ' HB2' ' A' ' 29' ' ' PHE . 76.6 p -126.44 121.52 32.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.796 0.332 . . . . 15.0 111.791 177.817 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.487 ' HE3' ' HG2' ' A' ' 26' ' ' ARG . 98.6 m95 -72.7 -14.9 61.67 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.172 0.511 . . . . 15.0 109.944 175.434 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -103.34 147.07 27.54 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.54 -0.755 . . . . 15.0 109.71 174.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -65.23 121.55 75.1 Favored Pre-proline 0 C--N 1.326 -0.452 0 CA-C-N 116.229 -0.441 . . . . 15.0 110.408 -178.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.804 ' HG2' ' HG2' ' A' ' 14' ' ' PRO . 18.9 Cg_endo -60.08 -9.68 10.76 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 123.488 2.792 . . . . 15.0 113.844 -178.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.749 ' HA ' HD13 ' A' ' 46' ' ' ILE . 82.3 mtp180 -60.26 -20.46 59.07 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.953 0.406 . . . . 15.0 110.652 175.057 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 92.0 mt -79.86 -10.12 59.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.082 -0.508 . . . . 15.0 110.685 176.353 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.732 ' HA ' ' HE3' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -92.27 -1.81 56.86 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.416 -0.356 . . . . 15.0 111.326 178.658 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.749 HD13 ' HA ' ' A' ' 43' ' ' ARG . 1.8 mp . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.298 -0.858 . . . . 15.0 109.729 176.076 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 11.6 m . . . . . 0 N--CA 1.476 0.835 0 CA-C-O 120.909 0.385 . . . . 15.0 110.472 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 113' ' ' ALA . . . . . . . . . . . . . . . -148.85 165.89 16.73 Favored Pre-proline 0 C--N 1.322 -0.595 0 CA-C-N 116.135 -0.484 . . . . 15.0 110.216 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 114' ' ' PRO . . . . . 0.452 ' HA ' ' HD3' ' B' ' 115' ' ' PRO . 73.7 Cg_exo -51.78 122.11 9.82 Favored 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 122.39 2.06 . . . . 15.0 111.54 173.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 115' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' B' ' 114' ' ' PRO . 27.9 Cg_exo -62.03 135.13 53.28 Favored 'Trans proline' 0 N--CA 1.461 -0.42 0 C-N-CA 122.68 2.253 . . . . 15.0 112.507 -177.397 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 116' ' ' GLU . . . . . 0.509 ' H ' ' HG2' ' B' ' 116' ' ' GLU . 4.6 pt-20 -65.25 119.96 11.87 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.367 -0.833 . . . . 15.0 109.907 176.32 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 117' ' ' TYR . . . . . 0.818 ' HE1' ' HB2' ' B' ' 119' ' ' GLU . 0.5 OUTLIER -102.08 124.52 47.83 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.874 -0.603 . . . . 15.0 111.607 -169.211 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 118' ' ' MET . . . . . 0.61 ' N ' ' HD1' ' B' ' 117' ' ' TYR . 22.3 ptt? -153.62 98.85 2.26 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.608 0.718 . . . . 15.0 110.054 165.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 119' ' ' GLU . . . . . 0.818 ' HB2' ' HE1' ' B' ' 117' ' ' TYR . 47.2 mt-10 -136.45 132.44 35.4 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.204 -0.907 . . . . 15.0 109.383 178.03 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.072 0 O-C-N 124.154 0.909 . . . . 15.0 110.585 -177.763 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 38.9 p90 . . . . . 0 N--CA 1.477 0.916 0 CA-C-O 120.866 0.365 . . . . 15.0 110.147 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.504 ' HB3' ' HD2' ' A' ' 14' ' ' PRO . 96.2 mt -122.49 169.81 9.05 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-N 116.193 -0.458 . . . . 15.0 110.109 179.392 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.654 ' HB2' ' CD1' ' A' ' 17' ' ' TRP . 66.0 Cg_exo -47.7 -9.66 0.07 OUTLIER 'Trans proline' 0 CA--C 1.539 0.762 0 C-N-CA 123.975 3.116 . . . . 15.0 114.624 171.159 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 54.6 mttp 73.09 115.99 0.05 Allowed 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 123.589 0.755 . . . . 15.0 111.739 176.415 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.408 ' O ' ' HA ' ' A' ' 31' ' ' ASP . . . 100.3 -3.96 56.84 Favored Glycine 0 N--CA 1.446 -0.698 0 CA-C-N 115.112 -0.949 . . . . 15.0 111.051 -176.421 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.654 ' CD1' ' HB2' ' A' ' 14' ' ' PRO . 80.4 m95 -109.26 121.95 46.28 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.047 0.451 . . . . 15.0 110.713 -179.011 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.59 ' HB2' HG13 ' A' ' 30' ' ' ILE . 17.8 mm-40 -89.85 149.89 22.46 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.32 -0.855 . . . . 15.0 108.851 173.356 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 13.5 p -103.4 119.63 52.21 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 CA-C-O 121.267 0.556 . . . . 15.0 109.714 173.448 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.508 ' HD2' ' HZ ' ' A' ' 28' ' ' PHE . 43.6 ttm-85 -121.43 128.82 52.55 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.882 0.372 . . . . 15.0 110.016 179.566 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -95.28 122.25 37.79 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.048 -0.524 . . . . 15.0 110.344 -178.505 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.445 ' HB3' ' OD1' ' A' ' 24' ' ' ASN . . . -102.59 168.66 8.57 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 116.231 -0.44 . . . . 15.0 110.25 179.352 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_exo -64.98 2.08 1.55 Allowed 'Trans proline' 0 C--N 1.353 0.809 0 C-N-CA 123.105 2.536 . . . . 15.0 113.05 178.213 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.445 ' OD1' ' HB3' ' A' ' 22' ' ' ALA . 6.2 p30 -80.6 1.36 30.09 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.314 -0.403 . . . . 15.0 110.818 175.107 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.31 18.52 69.53 Favored Glycine 0 C--N 1.334 0.461 0 N-CA-C 110.237 -1.145 . . . . 15.0 110.237 -176.77 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.675 ' HG2' ' CE3' ' A' ' 39' ' ' TRP . 5.2 tpt180 -124.99 131.72 24.16 Favored Pre-proline 0 N--CA 1.441 -0.916 0 CA-C-N 114.197 -1.001 . . . . 15.0 110.416 -171.254 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_endo -89.76 113.9 0.56 Allowed 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 122.39 2.06 . . . . 15.0 111.428 170.708 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.518 ' HB3' ' CZ3' ' A' ' 39' ' ' TRP . 31.6 p90 -96.73 139.66 32.46 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.747 -0.464 . . . . 15.0 109.747 179.198 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -89.72 137.98 31.87 Favored 'General case' 0 CA--C 1.508 -0.652 0 CA-C-N 115.795 -0.639 . . . . 15.0 109.945 -175.22 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.62 ' O ' ' HA ' ' A' ' 17' ' ' TRP . 3.4 pt -136.0 119.37 23.39 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.691 0 N-CA-C 114.447 1.277 . . . . 15.0 114.447 -174.707 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.46 ' OD2' ' HB ' ' A' ' 34' ' ' THR . 0.0 OUTLIER -91.29 127.79 36.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 114.657 -1.156 . . . . 15.0 110.621 179.778 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 24.6 m-70 -94.61 -7.7 40.22 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 112.861 0.689 . . . . 15.0 112.861 -174.494 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -98.59 -17.12 18.82 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.228 -0.589 . . . . 15.0 111.027 -175.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.46 ' HB ' ' OD2' ' A' ' 31' ' ' ASP . 2.1 m -124.96 -5.71 7.38 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.356 -0.383 . . . . 15.0 110.907 176.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 48.3 mmtm 59.03 51.93 6.74 Favored 'General case' 0 N--CA 1.464 0.226 0 C-N-CA 123.056 0.543 . . . . 15.0 111.071 -179.168 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 27.3 m -126.13 140.98 52.13 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.893 0.378 . . . . 15.0 111.253 179.417 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 11.3 t -116.94 150.15 38.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 15.0 110.454 179.652 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.515 HG21 ' HG3' ' A' ' 42' ' ' PRO . 13.3 t -147.52 144.14 28.32 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.224 -0.444 . . . . 15.0 110.506 -177.763 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.675 ' CE3' ' HG2' ' A' ' 26' ' ' ARG . 55.7 m95 -99.72 -10.57 21.74 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.662 0.744 . . . . 15.0 109.398 178.34 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -101.09 120.16 39.81 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.303 -0.862 . . . . 15.0 109.378 171.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -47.15 120.5 6.72 Favored Pre-proline 0 N--CA 1.469 0.52 0 CA-C-N 115.832 -0.622 . . . . 15.0 111.194 -175.187 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.861 ' HA ' ' HE3' ' A' ' 45' ' ' LYS . 33.8 Cg_exo -57.15 -16.39 21.41 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.549 2.166 . . . . 15.0 113.48 -178.697 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.424 ' HG3' ' HD3' ' A' ' 14' ' ' PRO . 75.6 mtp180 -64.87 -22.29 66.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.928 0.394 . . . . 15.0 110.637 177.075 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 73.8 mt -79.91 -10.42 59.77 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.067 -0.515 . . . . 15.0 111.013 177.216 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.861 ' HE3' ' HA ' ' A' ' 42' ' ' PRO . 0.0 OUTLIER -111.81 -8.86 14.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 15.0 111.447 -177.057 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.404 HG22 ' O ' ' A' ' 42' ' ' PRO . 10.8 tt . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.133 -0.937 . . . . 15.0 110.791 -179.376 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 12.8 t . . . . . 0 N--CA 1.48 1.042 0 CA-C-O 120.728 0.299 . . . . 15.0 110.329 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 113' ' ' ALA . . . . . 0.403 ' HA ' ' HD3' ' B' ' 114' ' ' PRO . . . -147.81 138.25 12.82 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 116.551 -0.295 . . . . 15.0 110.4 179.24 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 114' ' ' PRO . . . . . 0.506 ' HA ' ' HD3' ' B' ' 115' ' ' PRO . 32.9 Cg_exo -58.46 124.04 14.95 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.769 2.312 . . . . 15.0 112.089 178.027 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 115' ' ' PRO . . . . . 0.633 ' HD3' ' CZ2' ' A' ' 39' ' ' TRP . 10.3 Cg_exo -72.12 136.4 26.92 Favored 'Trans proline' 0 N--CA 1.463 -0.266 0 C-N-CA 123.067 2.511 . . . . 15.0 112.486 -177.77 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -58.02 119.95 7.69 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.657 -0.702 . . . . 15.0 109.786 175.579 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 117' ' ' TYR . . . . . 0.484 ' HD1' ' N ' ' B' ' 118' ' ' MET . 0.3 OUTLIER -97.01 123.8 40.82 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.335 -0.546 . . . . 15.0 111.846 -172.694 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 118' ' ' MET . . . . . 0.484 ' N ' ' HD1' ' B' ' 117' ' ' TYR . 19.9 ptm -171.5 59.53 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.236 -0.893 . . . . 15.0 109.718 167.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 119' ' ' GLU . . . . . 0.477 ' OE1' HD12 ' A' ' 30' ' ' ILE . 53.4 mt-10 -84.2 113.46 21.1 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.244 -0.889 . . . . 15.0 110.098 179.359 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.969 0 O-C-N 124.08 0.863 . . . . 15.0 112.01 175.825 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 38.6 t80 . . . . . 0 N--CA 1.477 0.916 0 CA-C-O 120.858 0.361 . . . . 15.0 110.065 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 89.8 mt -118.52 150.92 48.97 Favored Pre-proline 0 C--N 1.321 -0.657 0 CA-C-N 116.098 -0.501 . . . . 15.0 109.696 178.346 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.813 ' HD3' ' HG3' ' A' ' 43' ' ' ARG . 6.0 Cg_exo -32.47 -70.94 0.05 OUTLIER 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 125.183 3.922 . . . . 15.0 114.067 -176.754 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.569 ' H ' ' HD1' ' A' ' 17' ' ' TRP . 20.7 pttp 178.56 102.46 0.02 OUTLIER 'General case' 0 C--N 1.334 -0.066 0 CA-C-O 121.603 0.716 . . . . 15.0 110.203 -176.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 68.93 18.19 72.35 Favored Glycine 0 C--N 1.311 -0.826 0 C-N-CA 120.383 -0.913 . . . . 15.0 113.379 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.609 ' HA ' ' O ' ' A' ' 30' ' ' ILE . 81.2 m95 -95.97 131.62 42.15 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.861 -0.422 . . . . 15.0 109.861 178.573 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.579 ' O ' HG12 ' A' ' 30' ' ' ILE . 15.2 tp10 -105.81 141.96 36.35 Favored 'General case' 0 C--N 1.315 -0.896 0 N-CA-C 108.661 -0.866 . . . . 15.0 108.661 176.35 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 4.2 m -101.57 98.94 7.46 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-O 121.404 0.621 . . . . 15.0 111.164 179.647 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.672 ' HD2' ' HZ ' ' A' ' 28' ' ' PHE . 21.6 ttm180 -92.24 119.08 31.51 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.588 -0.893 . . . . 15.0 108.588 176.722 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 7.9 t-80 -89.97 115.42 27.25 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.024 0.44 . . . . 15.0 110.953 -173.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.464 ' HB1' ' HD2' ' A' ' 23' ' ' PRO . . . -77.16 176.24 3.69 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-N 115.574 -0.739 . . . . 15.0 109.736 175.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.464 ' HD2' ' HB1' ' A' ' 22' ' ' ALA . 32.1 Cg_exo -60.57 -18.56 55.29 Favored 'Trans proline' 0 C--N 1.353 0.777 0 C-N-CA 122.208 1.939 . . . . 15.0 111.755 173.017 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.405 ' C ' ' H ' ' A' ' 26' ' ' ARG . 14.7 m120 -63.92 146.61 53.72 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.202 -0.908 . . . . 15.0 110.015 172.186 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -71.73 48.18 1.01 Allowed Glycine 0 CA--C 1.518 0.223 0 N-CA-C 110.388 -1.085 . . . . 15.0 110.388 169.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.469 ' HG2' ' CE3' ' A' ' 39' ' ' TRP . 11.8 tpt180 -154.02 122.68 3.08 Favored Pre-proline 0 N--CA 1.44 -0.951 0 CA-C-N 114.577 -0.811 . . . . 15.0 109.808 -169.654 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 8.4 Cg_endo -89.71 125.57 1.39 Allowed 'Trans proline' 0 N--CA 1.45 -1.086 0 C-N-CA 122.406 2.071 . . . . 15.0 111.108 171.562 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.672 ' HZ ' ' HD2' ' A' ' 20' ' ' ARG . 52.5 p90 -90.03 135.24 33.77 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.106 -0.702 . . . . 15.0 109.106 176.605 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -89.77 134.9 33.94 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.622 -0.717 . . . . 15.0 110.387 -171.761 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.878 ' HB ' ' CE2' ' B' ' 117' ' ' TYR . 12.5 pt -130.85 125.65 58.61 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.592 0 N-CA-C 113.689 0.996 . . . . 15.0 113.689 -178.167 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.458 ' HB2' ' CE2' ' A' ' 17' ' ' TRP . 5.8 t70 -89.83 118.53 29.48 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 114.795 -1.093 . . . . 15.0 110.81 -177.784 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 24.9 m-70 -89.93 14.96 10.81 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.704 -0.68 . . . . 15.0 111.068 -178.138 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 46.9 m-80 -96.39 -39.48 9.58 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.672 0.272 . . . . 15.0 110.889 -179.147 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.9 t -142.62 28.05 1.64 Allowed 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 112.257 0.466 . . . . 15.0 112.257 -177.347 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.447 ' HE2' ' HA ' ' B' ' 118' ' ' MET . 2.6 mmmm 51.66 72.63 0.36 Allowed 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 122.482 0.313 . . . . 15.0 111.162 177.253 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 26.7 m -145.45 140.18 27.4 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 110.294 -0.261 . . . . 15.0 110.294 179.453 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.2 t -130.64 148.39 52.43 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.866 0.365 . . . . 15.0 111.363 -177.043 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 8.2 t -149.89 150.03 31.31 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 115.975 -0.557 . . . . 15.0 110.56 176.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.469 ' CE3' ' HG2' ' A' ' 26' ' ' ARG . 86.4 m95 -87.38 -13.07 44.43 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.861 0.363 . . . . 15.0 110.091 177.152 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -90.04 126.0 35.61 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.872 -0.604 . . . . 15.0 109.697 179.389 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.655 ' HB3' HD23 ' A' ' 44' ' ' LEU . 17.0 t0 -58.93 115.23 11.13 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 123.456 0.472 . . . . 15.0 110.355 -178.431 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.475 ' HB2' ' HB3' ' A' ' 14' ' ' PRO . 32.0 Cg_exo -60.32 -9.79 11.59 Favored 'Trans proline' 0 CA--C 1.533 0.439 0 C-N-CA 123.035 2.49 . . . . 15.0 113.756 -178.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.813 ' HG3' ' HD3' ' A' ' 14' ' ' PRO . 83.7 mtp180 -72.29 -20.05 61.57 Favored 'General case' 0 C--N 1.33 -0.268 0 O-C-N 121.866 -0.521 . . . . 15.0 110.488 175.193 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.655 HD23 ' HB3' ' A' ' 41' ' ' ASP . 4.2 mm? -79.82 -14.89 58.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.359 -0.382 . . . . 15.0 110.705 176.437 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 26.6 tptp -176.19 111.87 0.1 Allowed 'General case' 0 C--O 1.231 0.103 0 CA-C-N 116.002 -0.544 . . . . 15.0 110.869 177.284 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 65.7 mt . . . . . 0 C--O 1.25 1.122 0 CA-C-O 118.192 -0.909 . . . . 15.0 109.237 174.127 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 55.2 m . . . . . 0 N--CA 1.475 0.809 0 CA-C-O 120.736 0.303 . . . . 15.0 110.577 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 113' ' ' ALA . . . . . 0.656 ' HB3' ' HD3' ' B' ' 114' ' ' PRO . . . -155.54 -56.0 0.02 OUTLIER Pre-proline 0 C--N 1.327 -0.41 0 CA-C-N 116.168 -0.469 . . . . 15.0 111.021 177.382 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 114' ' ' PRO . . . . . 0.656 ' HD3' ' HB3' ' B' ' 113' ' ' ALA . 83.6 Cg_endo -82.65 124.85 4.15 Favored 'Trans proline' 0 C--N 1.352 0.747 0 C-N-CA 121.71 1.607 . . . . 15.0 112.127 174.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 115' ' ' PRO . . . . . 0.443 ' HD2' ' HA ' ' B' ' 114' ' ' PRO . 19.3 Cg_endo -60.29 135.61 62.9 Favored 'Trans proline' 0 C--O 1.233 0.226 0 C-N-CA 122.917 2.411 . . . . 15.0 111.929 176.662 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 116' ' ' GLU . . . . . 0.416 ' H ' ' HG3' ' B' ' 116' ' ' GLU . 0.0 OUTLIER -59.09 120.06 8.46 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 121.269 0.556 . . . . 15.0 110.322 177.899 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 117' ' ' TYR . . . . . 0.878 ' CE2' ' HB ' ' A' ' 30' ' ' ILE . 1.5 t80 -85.11 121.44 27.88 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.139 -0.482 . . . . 15.0 112.117 -170.414 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 118' ' ' MET . . . . . 0.447 ' HA ' ' HE2' ' A' ' 35' ' ' LYS . 51.8 ttm -175.42 108.34 0.1 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.04 -0.982 . . . . 15.0 108.866 169.571 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -119.35 128.67 54.31 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.595 0.236 . . . . 15.0 110.56 -176.602 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.975 0 CA-C-O 118.447 -0.787 . . . . 15.0 110.458 179.582 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 45.5 p90 . . . . . 0 N--CA 1.482 1.141 0 CA-C-O 120.798 0.332 . . . . 15.0 110.849 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.471 HD21 ' HB ' ' A' ' 19' ' ' VAL . 2.9 mm? -99.26 158.1 32.84 Favored Pre-proline 0 C--O 1.234 0.265 0 N-CA-C 109.936 -0.394 . . . . 15.0 109.936 177.433 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 1.004 ' HG2' ' HB2' ' A' ' 42' ' ' PRO . 0.3 OUTLIER -33.45 142.6 0.05 OUTLIER 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 124.541 3.494 . . . . 15.0 114.143 169.836 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt -48.05 111.69 0.47 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.317 -0.856 . . . . 15.0 111.286 179.114 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 115.26 -24.67 10.41 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.797 -0.716 . . . . 15.0 112.566 179.397 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.61 ' CE2' ' HB2' ' A' ' 31' ' ' ASP . 85.4 m95 -96.34 130.6 43.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.456 0.646 . . . . 15.0 111.37 -176.533 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -113.06 150.13 32.45 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 114.858 -1.065 . . . . 15.0 109.035 176.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.471 ' HB ' HD21 ' A' ' 13' ' ' LEU . 7.1 p -94.14 112.01 26.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 121.608 0.718 . . . . 15.0 111.052 179.781 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 21.9 tpp180 -111.15 120.58 42.77 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.304 -0.628 . . . . 15.0 109.304 177.442 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 15.3 t-80 -93.68 114.59 26.93 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 120.56 -0.456 . . . . 15.0 110.752 -176.351 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.457 ' HB1' ' HD2' ' A' ' 23' ' ' PRO . . . -75.72 175.14 4.47 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 115.862 -0.608 . . . . 15.0 110.147 177.177 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.457 ' HD2' ' HB1' ' A' ' 22' ' ' ALA . 36.4 Cg_exo -61.0 -19.91 65.19 Favored 'Trans proline' 0 C--N 1.353 0.763 0 C-N-CA 122.053 1.835 . . . . 15.0 110.801 169.314 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.531 HD22 ' N ' ' A' ' 25' ' ' GLY . 0.2 OUTLIER -59.74 139.1 57.53 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 114.68 -1.145 . . . . 15.0 108.96 170.649 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.531 ' N ' HD22 ' A' ' 24' ' ' ASN . . . -71.37 48.69 0.94 Allowed Glycine 0 C--N 1.33 0.241 0 N-CA-C 110.342 -1.103 . . . . 15.0 110.342 170.308 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.751 ' HG2' ' HE3' ' A' ' 39' ' ' TRP . 52.5 ttp180 -160.18 122.13 1.8 Allowed Pre-proline 0 N--CA 1.439 -0.99 0 N-CA-C 107.807 -1.183 . . . . 15.0 107.807 -171.112 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -89.66 127.19 1.58 Allowed 'Trans proline' 0 N--CA 1.449 -1.122 0 C-N-CA 121.55 1.5 . . . . 15.0 111.337 177.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 34.5 p90 -89.96 133.47 34.77 Favored 'General case' 0 N--CA 1.443 -0.793 0 N-CA-C 108.969 -0.752 . . . . 15.0 108.969 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -89.66 137.5 32.28 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 115.219 -0.9 . . . . 15.0 109.553 -172.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 1.104 ' HB ' ' HE2' ' B' ' 117' ' ' TYR . 21.6 pt -135.24 124.23 41.18 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.69 0 N-CA-C 115.197 1.555 . . . . 15.0 115.197 -172.638 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.61 ' HB2' ' CE2' ' A' ' 17' ' ' TRP . 10.6 t70 -91.05 128.72 36.98 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 114.784 -1.098 . . . . 15.0 110.081 178.2 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 78.0 m-70 -86.17 -20.81 28.05 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 112.475 0.546 . . . . 15.0 112.475 -174.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.3 p30 -95.92 -6.16 39.78 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.252 -0.579 . . . . 15.0 111.186 -170.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.1 m -122.93 -8.88 8.32 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.247 -0.433 . . . . 15.0 111.413 178.645 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.575 ' HA ' ' CD1' ' B' ' 117' ' ' TYR . 49.8 mmtt 52.29 68.32 0.84 Allowed 'General case' 0 CA--C 1.531 0.241 0 CA-C-O 121.04 0.448 . . . . 15.0 110.461 -171.668 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 28.5 m -150.14 150.08 31.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 15.0 110.706 -177.588 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.557 ' HB ' HG22 ' A' ' 30' ' ' ILE . 9.3 t -133.01 150.1 52.18 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-O 120.895 0.379 . . . . 15.0 111.294 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 12.3 t -145.12 150.07 36.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.977 -0.556 . . . . 15.0 110.034 178.389 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.751 ' HE3' ' HG2' ' A' ' 26' ' ' ARG . 90.2 m95 -94.91 -6.94 41.44 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.778 -0.369 . . . . 15.0 111.043 -178.566 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.471 ' H ' ' HG3' ' A' ' 40' ' ' GLU . 1.1 pp20? -102.17 130.79 48.91 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.832 -0.432 . . . . 15.0 109.832 175.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.413 ' O ' ' HG ' ' A' ' 44' ' ' LEU . 5.9 p-10 -61.1 124.82 81.98 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 115.79 -0.641 . . . . 15.0 112.225 -170.754 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 1.004 ' HB2' ' HG2' ' A' ' 14' ' ' PRO . 39.0 Cg_exo -62.39 -9.82 16.72 Favored 'Trans proline' 0 CA--C 1.532 0.39 0 C-N-CA 123.331 2.687 . . . . 15.0 112.858 176.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 62.7 mtt180 -59.84 -39.46 85.2 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.642 0.258 . . . . 15.0 111.435 178.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' A' ' 41' ' ' ASP . 3.4 pp -80.06 -9.79 59.72 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.093 0.473 . . . . 15.0 110.912 175.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.586 ' HB2' ' HA ' ' A' ' 42' ' ' PRO . 4.8 tttp -92.13 -26.61 18.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.794 -0.639 . . . . 15.0 111.668 -175.099 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.135 0 CA-C-O 118.207 -0.902 . . . . 15.0 110.717 -174.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 28.2 m . . . . . 0 N--CA 1.475 0.802 0 CA-C-O 120.933 0.397 . . . . 15.0 110.434 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 113' ' ' ALA . . . . . . . . . . . . . . . -149.33 165.07 18.54 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 115.959 -0.564 . . . . 15.0 109.658 -179.318 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 114' ' ' PRO . . . . . 0.484 ' HA ' ' HD3' ' B' ' 115' ' ' PRO . 65.5 Cg_exo -52.07 119.97 6.53 Favored 'Trans proline' 0 C--N 1.348 0.553 0 C-N-CA 122.371 2.048 . . . . 15.0 112.115 176.2 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 115' ' ' PRO . . . . . 0.484 ' HD3' ' HA ' ' B' ' 114' ' ' PRO . 34.4 Cg_exo -61.76 139.64 81.52 Favored 'Trans proline' 0 C--O 1.232 0.225 0 C-N-CA 123.117 2.545 . . . . 15.0 112.044 -178.786 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -66.16 138.26 57.58 Favored 'General case' 0 CA--C 1.508 -0.662 0 CA-C-O 121.693 0.759 . . . . 15.0 109.795 176.588 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 117' ' ' TYR . . . . . 1.104 ' HE2' ' HB ' ' A' ' 30' ' ' ILE . 13.2 t80 -109.22 119.8 40.59 Favored 'General case' 0 C--N 1.305 -1.353 0 CA-C-N 114.433 -1.258 . . . . 15.0 112.477 -168.395 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 118' ' ' MET . . . . . . . . . . . . . 61.3 mtt -151.63 89.87 1.52 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.616 -0.72 . . . . 15.0 109.1 168.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -131.08 126.65 36.37 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.054 -0.521 . . . . 15.0 110.368 -179.751 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.002 0 O-C-N 124.04 0.837 . . . . 15.0 110.766 179.786 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 36.9 p90 . . . . . 0 N--CA 1.479 0.98 0 N-CA-C 109.958 -0.386 . . . . 15.0 109.958 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.697 HD11 ' HB ' ' A' ' 19' ' ' VAL . 89.4 mt -144.72 169.2 10.44 Favored Pre-proline 0 C--N 1.321 -0.649 0 CA-C-N 116.231 -0.44 . . . . 15.0 109.851 179.825 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.8 ' HG2' ' HG2' ' A' ' 42' ' ' PRO . 28.0 Cg_exo -39.28 126.79 1.43 Allowed 'Trans proline' 0 C--N 1.349 0.587 0 C-N-CA 123.915 3.077 . . . . 15.0 113.854 174.102 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 58.9 mtpt 35.87 -90.45 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.436 0 O-C-N 124.492 1.12 . . . . 15.0 113.991 173.316 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -122.64 23.3 7.12 Favored Glycine 0 N--CA 1.442 -0.955 0 C-N-CA 121.037 -0.601 . . . . 15.0 113.331 -172.226 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.579 ' O ' ' HB2' ' A' ' 13' ' ' LEU . 85.5 m95 -89.97 127.43 36.03 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.149 0.5 . . . . 15.0 110.31 179.69 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -106.69 150.01 26.69 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.625 -0.716 . . . . 15.0 109.147 176.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.697 ' HB ' HD11 ' A' ' 13' ' ' LEU . 10.8 p -100.59 112.33 33.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 121.586 0.708 . . . . 15.0 110.608 179.62 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.55 ' HB3' ' CE1' ' A' ' 28' ' ' PHE . 14.0 tpp180 -114.67 122.86 47.77 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.582 -0.525 . . . . 15.0 109.582 179.459 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 8.5 t-80 -94.32 128.76 41.02 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.319 -0.4 . . . . 15.0 110.461 -176.269 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.452 ' HB3' ' ND2' ' A' ' 24' ' ' ASN . . . -115.89 171.8 4.32 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 116.356 -0.384 . . . . 15.0 110.818 -178.118 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_exo -63.96 0.61 1.96 Allowed 'Trans proline' 0 C--N 1.358 1.077 0 C-N-CA 123.284 2.656 . . . . 15.0 113.376 178.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.452 ' ND2' ' HB3' ' A' ' 22' ' ' ALA . 5.1 p30 -76.47 0.26 20.43 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.049 -0.523 . . . . 15.0 110.937 174.746 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 65.21 19.17 65.91 Favored Glycine 0 CA--C 1.504 -0.636 0 N-CA-C 110.031 -1.228 . . . . 15.0 110.031 -176.019 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.62 ' HD2' ' HD2' ' A' ' 27' ' ' PRO . 29.5 tpt180 -131.05 134.4 25.87 Favored Pre-proline 0 N--CA 1.436 -1.137 0 CA-C-N 114.267 -0.967 . . . . 15.0 110.171 -170.607 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.62 ' HD2' ' HD2' ' A' ' 26' ' ' ARG . 6.0 Cg_endo -89.61 115.23 0.63 Allowed 'Trans proline' 0 N--CA 1.448 -1.158 0 C-N-CA 121.852 1.702 . . . . 15.0 110.886 170.07 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.55 ' CE1' ' HB3' ' A' ' 20' ' ' ARG . 5.6 p90 -90.0 142.86 27.3 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 120.309 -0.556 . . . . 15.0 109.608 178.504 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 65.9 m-85 -93.18 129.94 39.03 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.622 -0.717 . . . . 15.0 109.67 -175.721 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 1.073 ' HB ' ' HE2' ' B' ' 117' ' ' TYR . 16.1 pt -133.7 125.91 50.34 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.467 0 N-CA-C 114.177 1.177 . . . . 15.0 114.177 -175.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.508 ' HB2' ' CE2' ' A' ' 17' ' ' TRP . 7.2 t70 -89.95 125.6 35.43 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.032 -0.985 . . . . 15.0 110.423 -179.317 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.405 ' HA ' ' OH ' ' B' ' 117' ' ' TYR . 47.2 m-70 -92.85 11.79 25.89 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.04 -0.527 . . . . 15.0 111.744 -177.091 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 57.2 m-80 -94.59 -43.79 8.14 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 121.076 -0.25 . . . . 15.0 110.915 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 11.0 t -126.51 13.66 7.58 Favored 'General case' 0 CA--C 1.536 0.422 0 N-CA-C 112.561 0.578 . . . . 15.0 112.561 -174.494 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.514 ' HA ' ' CE1' ' B' ' 117' ' ' TYR . 14.3 mptt 58.3 77.1 0.31 Allowed 'General case' 0 N--CA 1.469 0.491 0 CA-C-O 120.671 0.272 . . . . 15.0 111.631 -178.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 40.4 m -150.2 145.26 26.14 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 122.28 -0.263 . . . . 15.0 111.12 178.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.596 ' HB ' HG22 ' A' ' 30' ' ' ILE . 9.0 t -125.69 149.73 48.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.287 -0.415 . . . . 15.0 110.495 178.537 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.508 HG22 ' CZ3' ' A' ' 17' ' ' TRP . 10.1 t -149.86 150.14 31.5 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.062 0.458 . . . . 15.0 111.182 177.552 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.525 ' HZ2' ' HD3' ' B' ' 115' ' ' PRO . 12.2 m95 -105.08 1.57 28.62 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.943 -0.762 . . . . 15.0 108.943 175.693 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -81.26 -19.14 43.71 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.793 -0.64 . . . . 15.0 111.441 -175.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.553 ' OD2' ' HG ' ' A' ' 44' ' ' LEU . 16.0 t0 68.16 118.08 0.03 OUTLIER Pre-proline 0 N--CA 1.468 0.446 0 O-C-N 124.032 0.832 . . . . 15.0 112.416 -178.818 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.8 ' HG2' ' HG2' ' A' ' 14' ' ' PRO . 58.3 Cg_endo -73.84 -9.72 22.61 Favored 'Trans proline' 0 N--CA 1.461 -0.402 0 C-N-CA 122.521 2.147 . . . . 15.0 112.977 176.55 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.402 ' HB2' ' OD2' ' A' ' 41' ' ' ASP . 81.5 mtp180 -80.07 -28.64 39.16 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 121.049 0.452 . . . . 15.0 109.873 175.454 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.553 ' HG ' ' OD2' ' A' ' 41' ' ' ASP . 96.4 mt -80.12 -9.92 59.73 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.673 -0.694 . . . . 15.0 109.849 172.784 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.784 ' HG2' ' H ' ' A' ' 46' ' ' ILE . 75.4 tttt -107.28 -162.85 0.86 Allowed 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.765 -0.828 . . . . 15.0 108.765 175.821 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.784 ' H ' ' HG2' ' A' ' 45' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.407 -0.806 . . . . 15.0 109.123 177.738 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 27.7 m . . . . . 0 N--CA 1.474 0.765 0 CA-C-O 120.657 0.265 . . . . 15.0 110.347 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 113' ' ' ALA . . . . . 0.663 ' HB3' ' HD3' ' B' ' 114' ' ' PRO . . . -80.75 -54.88 0.74 Allowed Pre-proline 0 CA--C 1.536 0.432 0 N-CA-C 112.389 0.514 . . . . 15.0 112.389 -176.817 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 114' ' ' PRO . . . . . 0.663 ' HD3' ' HB3' ' B' ' 113' ' ' ALA . 25.3 Cg_exo -63.81 125.37 15.26 Favored 'Trans proline' 0 C--N 1.356 0.971 0 C-N-CA 121.948 1.765 . . . . 15.0 112.643 -178.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 115' ' ' PRO . . . . . 0.525 ' HD3' ' HZ2' ' A' ' 39' ' ' TRP . 14.3 Cg_exo -69.26 147.85 67.02 Favored 'Trans proline' 0 C--O 1.233 0.229 0 C-N-CA 123.279 2.653 . . . . 15.0 110.875 177.549 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -67.7 119.9 13.19 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.073 0.463 . . . . 15.0 109.963 -179.66 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 117' ' ' TYR . . . . . 1.073 ' HE2' ' HB ' ' A' ' 30' ' ' ILE . 2.9 t80 -92.7 126.9 37.99 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.88 -0.6 . . . . 15.0 110.436 -175.805 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 118' ' ' MET . . . . . . . . . . . . . 22.6 ptt? -179.59 58.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.588 0.709 . . . . 15.0 111.031 174.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 119' ' ' GLU . . . . . 0.403 ' HB2' ' H ' ' B' ' 120' ' ' ALA . 1.7 mp0 -91.05 -80.91 0.33 Allowed 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 115.315 -0.857 . . . . 15.0 109.151 175.775 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 120' ' ' ALA . . . . . 0.403 ' H ' ' HB2' ' B' ' 119' ' ' GLU . . . . . . . . 0 C--O 1.251 1.133 0 CA-C-O 118.3 -0.857 . . . . 15.0 109.703 177.587 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 27.1 p90 . . . . . 0 N--CA 1.481 1.087 0 N-CA-C 111.621 0.23 . . . . 15.0 111.621 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.506 ' HB3' ' HD2' ' A' ' 14' ' ' PRO . 93.8 mt 63.63 170.22 0.09 OUTLIER Pre-proline 0 N--CA 1.469 0.517 0 O-C-N 123.288 0.367 . . . . 15.0 110.801 -176.118 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.76 ' HB2' ' CD1' ' A' ' 17' ' ' TRP . 9.2 Cg_endo -53.86 149.38 33.87 Favored 'Trans proline' 0 N--CA 1.462 -0.364 0 C-N-CA 122.363 2.042 . . . . 15.0 110.731 168.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.7 mmmm -52.84 101.91 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 113.057 0.762 . . . . 15.0 113.057 -172.491 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.09 30.44 42.31 Favored Glycine 0 N--CA 1.45 -0.372 0 CA-C-N 115.729 -0.669 . . . . 15.0 114.582 169.543 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.76 ' CD1' ' HB2' ' A' ' 14' ' ' PRO . 73.4 m95 -105.88 132.94 51.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 117.815 0.807 . . . . 15.0 111.29 177.476 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.601 ' HB2' ' CE1' ' A' ' 32' ' ' HIS . 8.9 tp10 -108.83 149.91 28.41 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.268 -0.878 . . . . 15.0 109.056 175.671 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.417 ' O ' HG13 ' A' ' 19' ' ' VAL . 6.3 p -102.83 96.59 4.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-O 121.586 0.707 . . . . 15.0 110.283 179.203 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.515 ' HD2' ' CZ ' ' A' ' 28' ' ' PHE . 24.0 ttm180 -95.03 128.61 42.0 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.753 -0.832 . . . . 15.0 108.753 178.356 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 10.0 t-80 -89.9 113.91 25.61 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 120.884 0.373 . . . . 15.0 110.663 -175.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.419 ' HB1' HD22 ' A' ' 24' ' ' ASN . . . -88.19 157.72 50.43 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-N 115.956 -0.565 . . . . 15.0 110.716 -179.736 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 21.9 Cg_exo -66.59 3.5 1.41 Allowed 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 123.126 2.55 . . . . 15.0 112.451 176.531 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.419 HD22 ' HB1' ' A' ' 22' ' ' ALA . 56.7 m-80 -77.66 8.52 4.33 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.056 -0.52 . . . . 15.0 110.975 178.487 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 61.31 30.66 74.68 Favored Glycine 0 CA--C 1.504 -0.617 0 N-CA-C 109.514 -1.434 . . . . 15.0 109.514 -169.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.748 ' HG2' ' CE3' ' A' ' 39' ' ' TRP . 17.0 tpt180 -144.41 130.75 9.97 Favored Pre-proline 0 N--CA 1.439 -0.981 0 CA-C-N 114.089 -1.055 . . . . 15.0 110.666 -168.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_endo -89.56 122.18 1.13 Allowed 'Trans proline' 0 N--CA 1.455 -0.761 0 C-N-CA 122.65 2.233 . . . . 15.0 111.122 168.576 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.515 ' CZ ' ' HD2' ' A' ' 20' ' ' ARG . 39.3 p90 -101.81 140.14 36.51 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.752 -0.462 . . . . 15.0 109.752 179.557 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -89.91 136.95 32.73 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.833 -0.622 . . . . 15.0 110.391 -174.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.859 ' HB ' ' CE2' ' B' ' 117' ' ' TYR . 27.2 pt -134.45 126.31 48.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 N-CA-C 114.885 1.439 . . . . 15.0 114.885 -175.52 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -90.08 125.01 35.27 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 114.739 -1.119 . . . . 15.0 110.461 175.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.601 ' CE1' ' HB2' ' A' ' 18' ' ' GLU . 22.1 m80 -92.7 -1.23 57.02 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.149 -0.478 . . . . 15.0 111.107 -175.574 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 45.1 m-80 -82.8 -44.14 15.87 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 121.017 -0.273 . . . . 15.0 110.632 -177.641 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 29.4 p -126.32 12.97 7.65 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 111.777 0.288 . . . . 15.0 111.777 -176.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.513 ' HD3' ' HA ' ' B' ' 118' ' ' MET . 37.2 mttm 49.56 78.62 0.09 Allowed 'General case' 0 CA--C 1.531 0.232 0 CA-C-O 121.33 0.586 . . . . 15.0 112.096 -176.382 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.8 t -142.24 149.96 40.31 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.767 -0.651 . . . . 15.0 109.666 176.219 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 11.3 t -137.36 150.03 47.42 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.952 0.406 . . . . 15.0 111.248 -173.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.41 HG22 ' CZ3' ' A' ' 17' ' ' TRP . 4.1 t -145.22 146.44 31.72 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.994 -0.548 . . . . 15.0 110.793 179.714 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.748 ' CE3' ' HG2' ' A' ' 26' ' ' ARG . 77.8 m95 -83.77 -32.25 25.51 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 109.883 -0.414 . . . . 15.0 109.883 175.166 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -82.25 139.97 33.92 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 109.245 -0.65 . . . . 15.0 109.245 178.109 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 45.2 t0 -68.15 115.91 33.71 Favored Pre-proline 0 C--N 1.321 -0.648 0 CA-C-N 115.756 -0.656 . . . . 15.0 112.431 -171.497 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.449 ' HG2' ' HG3' ' A' ' 14' ' ' PRO . 72.4 Cg_endo -76.24 -9.71 19.09 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 123.093 2.529 . . . . 15.0 112.115 176.054 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.584 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 63.1 ttt180 -66.56 -26.62 67.21 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.15 0.5 . . . . 15.0 109.839 177.399 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 96.1 mt -80.14 -24.97 40.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.634 -0.712 . . . . 15.0 111.303 176.387 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 24.3 pttm -167.14 125.46 1.32 Allowed 'General case' 0 C--O 1.234 0.244 0 CA-C-O 121.163 0.506 . . . . 15.0 110.322 -177.376 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 6.0 tp . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.481 -0.771 . . . . 15.0 110.361 -176.252 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 38.0 m . . . . . 0 N--CA 1.477 0.924 0 N-CA-C 110.291 -0.262 . . . . 15.0 110.291 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 113' ' ' ALA . . . . . . . . . . . . . . . -129.04 149.92 73.91 Favored Pre-proline 0 C--N 1.325 -0.463 0 CA-C-N 116.711 -0.222 . . . . 15.0 110.73 -177.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 114' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_endo -57.03 127.88 27.6 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.934 2.423 . . . . 15.0 111.88 177.1 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 115' ' ' PRO . . . . . 0.426 ' HD3' ' CZ2' ' A' ' 39' ' ' TRP . 41.8 Cg_endo -66.64 134.19 34.45 Favored 'Trans proline' 0 C--O 1.234 0.295 0 C-N-CA 122.758 2.305 . . . . 15.0 112.162 -177.429 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -58.35 119.96 7.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.215 0.531 . . . . 15.0 109.863 176.412 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 117' ' ' TYR . . . . . 0.859 ' CE2' ' HB ' ' A' ' 30' ' ' ILE . 0.3 OUTLIER -89.43 120.66 30.95 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.035 -0.529 . . . . 15.0 111.133 -174.341 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 118' ' ' MET . . . . . 0.513 ' HA ' ' HD3' ' A' ' 35' ' ' LYS . 54.8 ttp -172.19 106.02 0.19 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.052 -0.976 . . . . 15.0 109.175 169.783 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -104.68 -83.48 0.5 Allowed 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.231 -0.655 . . . . 15.0 109.231 179.002 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.97 0 CA-C-O 118.472 -0.775 . . . . 15.0 109.183 175.619 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 27.3 p90 . . . . . 0 N--CA 1.484 1.226 0 N-CA-C 111.606 0.224 . . . . 15.0 111.606 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.594 HD13 ' H ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -98.37 168.65 9.53 Favored Pre-proline 0 C--N 1.329 -0.32 0 O-C-N 122.285 -0.26 . . . . 15.0 110.485 178.319 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.743 ' HG2' ' HG2' ' A' ' 42' ' ' PRO . 36.8 Cg_exo -42.13 125.45 3.3 Favored 'Trans proline' 0 C--N 1.35 0.621 0 C-N-CA 123.46 2.774 . . . . 15.0 113.56 176.464 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 43.9 tttm -60.82 113.18 2.36 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.54 -0.754 . . . . 15.0 110.852 179.231 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 125.64 -20.08 6.53 Favored Glycine 0 N--CA 1.449 -0.494 0 CA-C-N 115.795 -0.639 . . . . 15.0 112.23 -178.523 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.621 ' HA ' ' O ' ' A' ' 30' ' ' ILE . 83.4 m95 -103.54 128.72 50.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.177 0.513 . . . . 15.0 111.276 -179.189 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.544 ' O ' HG12 ' A' ' 30' ' ' ILE . 23.7 mt-10 -100.39 143.85 30.09 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.545 -0.752 . . . . 15.0 109.602 172.082 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 24.8 t -93.98 105.6 17.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-O 120.918 0.389 . . . . 15.0 110.246 178.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.494 ' HD2' ' CZ ' ' A' ' 28' ' ' PHE . 60.3 ttm-85 -107.52 122.26 46.29 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.282 -0.636 . . . . 15.0 109.282 179.181 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.655 ' HA ' ' HA ' ' A' ' 27' ' ' PRO . 36.1 t-80 -89.8 123.54 33.87 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.077 0.465 . . . . 15.0 110.298 -173.304 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -94.66 163.68 21.88 Favored Pre-proline 0 C--N 1.322 -0.594 0 CA-C-N 115.737 -0.665 . . . . 15.0 110.992 -177.087 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo -69.17 6.26 1.18 Allowed 'Trans proline' 0 C--N 1.349 0.59 0 C-N-CA 123.072 2.515 . . . . 15.0 112.077 173.465 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -81.19 13.68 2.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.743 -0.662 . . . . 15.0 110.671 176.726 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 56.39 30.2 58.15 Favored Glycine 0 C--N 1.337 0.606 0 N-CA-C 109.95 -1.26 . . . . 15.0 109.95 -171.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.644 ' HG2' ' CE3' ' A' ' 39' ' ' TRP . 17.1 ttt180 -149.78 136.94 11.21 Favored Pre-proline 0 N--CA 1.44 -0.968 0 CA-C-N 114.525 -0.837 . . . . 15.0 110.571 -169.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.655 ' HA ' ' HA ' ' A' ' 21' ' ' HIS . 13.1 Cg_endo -89.52 128.45 1.75 Allowed 'Trans proline' 0 N--CA 1.452 -0.915 0 C-N-CA 122.523 2.149 . . . . 15.0 111.606 171.605 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.494 ' CZ ' ' HD2' ' A' ' 20' ' ' ARG . 8.0 p90 -102.44 142.9 32.89 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-O 121.338 0.59 . . . . 15.0 109.673 174.411 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.418 ' O ' ' HA ' ' A' ' 37' ' ' THR . 98.7 m-85 -90.07 137.53 32.27 Favored 'General case' 0 CA--C 1.502 -0.869 0 CA-C-N 115.521 -0.763 . . . . 15.0 110.382 -177.267 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.771 ' HB ' ' CE2' ' B' ' 117' ' ' TYR . 26.2 pt -127.45 125.18 65.23 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.926 0 N-CA-C 114.414 1.265 . . . . 15.0 114.414 -175.689 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.473 ' HB2' ' CE2' ' A' ' 17' ' ' TRP . 5.1 t70 -97.74 126.8 43.28 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 114.034 -1.439 . . . . 15.0 110.896 -179.141 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 83.4 m-70 -91.13 -2.11 57.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.911 -0.586 . . . . 15.0 111.406 -178.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 38.1 m-80 -87.47 -54.26 4.38 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.69 0.281 . . . . 15.0 111.672 -175.166 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.41 HG22 ' O ' ' A' ' 34' ' ' THR . 7.1 m -116.85 16.0 15.25 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.134 0.492 . . . . 15.0 111.321 -172.454 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.497 ' HE2' ' HA ' ' B' ' 118' ' ' MET . 10.8 mmmm 55.54 73.69 0.41 Allowed 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.098 -0.501 . . . . 15.0 111.453 -179.705 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 7.3 p -144.59 150.19 37.04 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 112.366 0.506 . . . . 15.0 112.366 -177.258 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.469 ' OG1' ' HB2' ' B' ' 117' ' ' TYR . 98.8 m -132.53 137.03 47.0 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.547 -0.752 . . . . 15.0 110.206 177.805 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.538 HG22 ' CZ3' ' A' ' 17' ' ' TRP . 4.8 t -135.21 141.45 45.83 Favored 'General case' 0 C--O 1.224 -0.281 0 CA-C-O 121.027 0.441 . . . . 15.0 111.231 179.587 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.644 ' CE3' ' HG2' ' A' ' 26' ' ' ARG . 96.1 m95 -84.48 -11.84 55.4 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.156 -0.474 . . . . 15.0 110.205 178.424 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.725 ' HB3' HD21 ' A' ' 44' ' ' LEU . 35.8 mt-10 -114.66 134.5 55.02 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.638 -0.71 . . . . 15.0 109.705 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.631 ' O ' ' HG ' ' A' ' 44' ' ' LEU . 25.4 t0 -48.53 118.53 7.02 Favored Pre-proline 0 N--CA 1.465 0.32 0 O-C-N 123.91 0.756 . . . . 15.0 111.165 -176.202 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.743 ' HG2' ' HG2' ' A' ' 14' ' ' PRO . 10.0 Cg_endo -52.16 -10.16 0.67 Allowed 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 123.571 2.848 . . . . 15.0 114.689 178.483 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 92.4 mtt-85 -60.68 -28.65 68.77 Favored 'General case' 0 C--N 1.33 -0.282 0 O-C-N 122.026 -0.421 . . . . 15.0 111.105 174.006 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.725 HD21 ' HB3' ' A' ' 40' ' ' GLU . 4.6 pp -80.38 -10.39 59.75 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 120.866 -0.334 . . . . 15.0 110.968 176.496 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.656 ' HG2' ' HA ' ' A' ' 42' ' ' PRO . 31.5 mmmt -79.4 -31.83 42.84 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-O 121.147 0.499 . . . . 15.0 110.062 179.742 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 46.5 mm . . . . . 0 C--O 1.249 1.072 0 CA-C-N 115.41 -0.814 . . . . 15.0 109.557 178.834 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 14.4 t . . . . . 0 N--CA 1.476 0.867 0 N-CA-C 110.336 -0.246 . . . . 15.0 110.336 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 113' ' ' ALA . . . . . . . . . . . . . . . -145.04 122.95 6.46 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-N 116.591 -0.277 . . . . 15.0 110.727 179.608 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 114' ' ' PRO . . . . . 0.452 ' HA ' ' HD3' ' B' ' 115' ' ' PRO . 31.2 Cg_endo -63.56 124.01 13.01 Favored 'Trans proline' 0 C--O 1.235 0.347 0 C-N-CA 122.655 2.237 . . . . 15.0 113.019 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 115' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' B' ' 114' ' ' PRO . 6.5 Cg_endo -88.64 134.55 2.81 Favored 'Trans proline' 0 N--CA 1.452 -0.958 0 C-N-CA 123.436 2.758 . . . . 15.0 111.64 177.4 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -70.53 121.71 18.32 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.507 -0.553 . . . . 15.0 109.507 176.382 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 117' ' ' TYR . . . . . 0.771 ' CE2' ' HB ' ' A' ' 30' ' ' ILE . 38.8 t80 -86.83 119.8 27.44 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 120.643 -0.423 . . . . 15.0 111.454 -175.591 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 118' ' ' MET . . . . . 0.497 ' HA ' ' HE2' ' A' ' 35' ' ' LYS . 25.5 mmt -151.7 64.84 0.86 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.904 -0.589 . . . . 15.0 109.721 171.633 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -97.25 4.64 50.89 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.226 -0.443 . . . . 15.0 110.876 -179.523 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 120' ' ' ALA . . . . . 0.45 ' H ' ' HE3' ' A' ' 35' ' ' LYS . . . . . . . . 0 C--O 1.248 0.983 0 CA-C-O 118.714 -0.66 . . . . 15.0 110.241 179.357 . . . . . . . . 1 1 . 1 stop_ save_