data_2kpz_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 2kpz _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 ' 13' ' ' LEU . . . . . 0.906 HD11 HG23 ' A' ' 19' ' ' VAL . 81.9 mt . . . . . 0 CA--C 1.514 -0.431 0 CA-C-O 121.07 0.462 . . . . 15.0 111.413 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.735 ' HB2' ' CD1' ' A' ' 17' ' ' TRP . 1.3 Cg_exo -49.57 151.12 7.77 Favored 'Trans proline' 0 CA--C 1.495 -1.473 0 C-N-CA 123.675 2.917 . . . . 15.0 113.988 160.023 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -61.04 121.17 11.77 Favored 'General case' 0 C--N 1.284 -2.272 0 CA-C-N 111.582 -2.554 . . . . 15.0 110.495 -171.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.18 10.94 77.03 Favored Glycine 0 N--CA 1.452 -0.264 0 CA-C-N 115.82 -0.627 . . . . 15.0 112.788 179.436 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.735 ' CD1' ' HB2' ' A' ' 14' ' ' PRO . 37.0 m95 -96.24 139.98 31.59 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.212 0.529 . . . . 15.0 111.111 178.29 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.643 ' O ' ' HA ' ' A' ' 29' ' ' PHE . 0.9 OUTLIER -122.31 150.28 42.58 Favored 'General case' 0 CA--C 1.504 -0.794 0 CA-C-N 115.332 -0.849 . . . . 15.0 111.643 -178.233 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.906 HG23 HD11 ' A' ' 13' ' ' LEU . 33.9 t -122.72 90.09 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.487 0 CA-C-N 113.881 -1.508 . . . . 15.0 108.05 170.017 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.731 ' O ' ' HA ' ' A' ' 27' ' ' PRO . 19.9 ttm180 -115.01 141.3 48.19 Favored 'General case' 0 C--N 1.319 -0.735 0 C-N-CA 120.603 -0.439 . . . . 15.0 110.326 -176.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.693 ' HD2' ' N ' ' A' ' 27' ' ' PRO . 0.1 OUTLIER -98.0 113.54 25.42 Favored 'General case' 0 C--N 1.315 -0.907 0 N-CA-C 108.512 -0.922 . . . . 15.0 108.512 -178.582 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.409 ' HB1' ' OD1' ' A' ' 24' ' ' ASN . . . -66.95 162.24 55.1 Favored Pre-proline 0 C--N 1.322 -0.621 0 N-CA-C 109.465 -0.568 . . . . 15.0 109.465 177.129 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -59.28 -11.42 13.22 Favored 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 122.727 2.285 . . . . 15.0 113.368 -178.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.409 ' OD1' ' HB1' ' A' ' 22' ' ' ALA . 16.6 p30 -80.54 -11.42 59.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.431 0.634 . . . . 15.0 109.847 175.705 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 88.36 28.06 23.49 Favored Glycine 0 N--CA 1.438 -1.176 0 CA-C-N 115.177 -0.92 . . . . 15.0 112.658 179.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -121.06 133.86 24.25 Favored Pre-proline 0 C--N 1.321 -0.638 0 O-C-N 122.669 -0.312 . . . . 15.0 110.377 178.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.731 ' HA ' ' O ' ' A' ' 20' ' ' ARG . 83.3 Cg_endo -88.81 112.64 0.63 Allowed 'Trans proline' 0 N--CA 1.456 -0.68 0 C-N-CA 122.295 1.997 . . . . 15.0 112.154 176.559 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.5 ' HD1' ' H ' ' A' ' 28' ' ' PHE . 0.5 OUTLIER -100.36 125.21 46.58 Favored 'General case' 0 N--CA 1.442 -0.871 0 CA-C-N 113.795 -1.548 . . . . 15.0 108.932 177.451 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.643 ' HA ' ' O ' ' A' ' 18' ' ' GLU . 9.0 m-85 -89.94 115.22 27.08 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.828 -0.624 . . . . 15.0 109.858 -174.609 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.906 HG22 ' HB3' ' B' ' 117' ' ' TYR . 18.7 mt -97.59 137.72 24.43 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-N 115.71 -0.677 . . . . 15.0 111.075 -177.159 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.41 ' HB3' ' OG1' ' A' ' 36' ' ' THR . 8.4 t70 -100.52 106.22 17.73 Favored 'General case' 0 C--N 1.311 -1.079 0 N-CA-C 108.494 -0.928 . . . . 15.0 108.494 168.345 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.401 ' CE1' ' HB2' ' B' ' 117' ' ' TYR . 12.1 m170 -81.68 0.99 36.24 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 114.81 -1.086 . . . . 15.0 111.181 -171.047 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 26.5 m-80 -90.12 -60.18 2.0 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.973 -0.558 . . . . 15.0 110.787 -179.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.8 m -101.29 16.05 26.81 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.342 -0.39 . . . . 15.0 111.424 -173.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.864 ' HD3' ' HE1' ' B' ' 117' ' ' TYR . 70.0 mmtt 66.24 21.38 11.06 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 116.204 -0.453 . . . . 15.0 111.292 175.607 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.41 ' OG1' ' HB3' ' A' ' 31' ' ' ASP . 47.1 p -97.86 150.16 21.59 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.781 -0.367 . . . . 15.0 110.644 -173.599 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.715 ' HB ' ' HG2' ' B' ' 114' ' ' PRO . 4.2 p -133.23 142.46 48.58 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.665 0.269 . . . . 15.0 111.094 179.63 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.872 ' HG1' ' HG3' ' A' ' 40' ' ' GLU . 8.8 t -150.11 150.28 31.46 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.418 -0.356 . . . . 15.0 110.823 -178.465 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 62.5 m95 -89.4 -10.68 45.62 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.097 0.475 . . . . 15.0 110.381 179.322 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.872 ' HG3' ' HG1' ' A' ' 38' ' ' THR . 2.6 pp20? -95.04 159.04 15.2 Favored 'General case' 0 N--CA 1.443 -0.812 0 CA-C-N 115.731 -0.668 . . . . 15.0 109.969 -174.752 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.426 ' HA ' ' HD2' ' A' ' 42' ' ' PRO . 38.8 t0 -114.98 118.69 40.21 Favored Pre-proline 0 C--N 1.32 -0.687 0 CA-C-N 116.118 -0.492 . . . . 15.0 111.552 -169.001 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.426 ' HD2' ' HA ' ' A' ' 41' ' ' ASP . 28.0 Cg_endo -63.14 -17.64 61.16 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 123.341 2.694 . . . . 15.0 112.216 176.794 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.411 ' HB3' ' OD2' ' A' ' 41' ' ' ASP . 26.0 ttp180 -77.42 -24.5 50.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.908 -0.587 . . . . 15.0 110.926 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 84.4 mt -77.35 -9.85 59.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.532 0.682 . . . . 15.0 111.348 -177.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.307 -1.254 0 CA-C-N 114.926 -1.034 . . . . 15.0 108.847 179.236 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 . . . . . 0 N--CA 1.481 1.086 0 N-CA-C 109.757 -0.461 . . . . 15.0 109.757 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 113' ' ' ILE . . . . . 0.673 HD11 ' H ' ' B' ' 113' ' ' ILE . 0.2 OUTLIER -107.07 125.03 33.51 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 120.918 0.39 . . . . 15.0 111.952 -172.905 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 114' ' ' PRO . . . . . 0.715 ' HG2' ' HB ' ' A' ' 37' ' ' THR . 50.5 Cg_endo -84.06 128.81 4.44 Favored 'Trans proline' 0 N--CA 1.458 -0.569 0 C-N-CA 122.785 2.323 . . . . 15.0 112.274 175.637 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 115' ' ' PRO . . . . . 0.401 ' HA ' ' HD2' ' B' ' 116' ' ' PRO . 52.4 Cg_exo -55.49 127.36 25.88 Favored 'Trans proline' 0 N--CA 1.477 0.514 0 C-N-CA 123.053 2.502 . . . . 15.0 113.912 176.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 116' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' B' ' 115' ' ' PRO . 7.9 Cg_endo -49.67 -179.58 0.02 OUTLIER 'Trans proline' 0 N--CA 1.416 -3.068 0 C-N-CA 125.017 3.811 . . . . 15.0 115.076 167.124 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 117' ' ' TYR . . . . . 0.906 ' HB3' HG22 ' A' ' 30' ' ' ILE . 3.0 p90 -93.1 139.42 30.59 Favored 'General case' 1 C--N 1.243 -4.031 1 CA-C-N 105.807 -5.179 . . . . 15.0 110.421 -178.969 . . . . . . . . 4 3 . 1 . 001 nuclear orig core ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 45.7 t -106.03 -43.82 7.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 121.658 0.742 . . . . 15.0 109.049 172.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 119' ' ' GLU . . . . . 0.462 ' CD ' ' H ' ' B' ' 119' ' ' GLU . 1.5 pm0 . . . . . 0 C--N 1.321 -0.652 0 CA-C-N 114.765 -1.107 . . . . 15.0 110.561 178.433 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.423 HD11 ' HA ' ' A' ' 13' ' ' LEU . 3.9 mm? . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.724 0.297 . . . . 15.0 110.949 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.718 ' HB2' ' CD1' ' A' ' 17' ' ' TRP . 5.7 Cg_exo -49.8 151.44 8.11 Favored 'Trans proline' 0 CA--C 1.498 -1.288 0 C-N-CA 124.522 3.481 . . . . 15.0 115.27 171.306 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 53.7 tttm -52.51 120.42 5.59 Favored 'General case' 0 C--N 1.296 -1.74 0 CA-C-N 111.355 -2.657 . . . . 15.0 111.47 -173.506 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 82.31 3.32 90.59 Favored Glycine 0 N--CA 1.45 -0.401 0 CA-C-N 115.948 -0.569 . . . . 15.0 112.922 176.374 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.718 ' CD1' ' HB2' ' A' ' 14' ' ' PRO . 45.6 m95 -90.05 122.49 33.09 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.411 0.624 . . . . 15.0 110.454 177.616 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.716 ' O ' ' HA ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -106.76 150.34 26.4 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 115.188 -0.914 . . . . 15.0 110.708 -178.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.528 HG23 ' CD2' ' A' ' 29' ' ' PHE . 13.9 t -132.21 89.94 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.486 0 CA-C-N 114.575 -1.193 . . . . 15.0 108.956 176.725 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.688 ' O ' ' HA ' ' A' ' 27' ' ' PRO . 15.7 ttm180 -117.58 147.28 42.98 Favored 'General case' 0 C--N 1.316 -0.886 0 C-N-CA 120.455 -0.498 . . . . 15.0 110.086 -177.314 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.709 ' HD2' ' N ' ' A' ' 27' ' ' PRO . 0.1 OUTLIER -104.76 109.79 21.88 Favored 'General case' 0 C--N 1.31 -1.136 0 N-CA-C 108.15 -1.056 . . . . 15.0 108.15 -173.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.08 163.67 22.47 Favored Pre-proline 0 C--N 1.323 -0.582 0 O-C-N 123.284 0.365 . . . . 15.0 110.25 -179.218 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_exo -58.14 -15.13 21.85 Favored 'Trans proline' 0 C--N 1.35 0.637 0 C-N-CA 122.684 2.256 . . . . 15.0 113.47 -178.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 19.5 p30 -80.43 -10.07 59.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.346 0.593 . . . . 15.0 109.693 176.504 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 86.78 27.83 28.1 Favored Glycine 0 N--CA 1.439 -1.156 0 CA-C-N 115.21 -0.905 . . . . 15.0 112.704 178.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -117.78 134.37 23.25 Favored Pre-proline 0 C--N 1.326 -0.452 0 N-CA-C 110.082 -0.34 . . . . 15.0 110.082 177.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.709 ' N ' ' HD2' ' A' ' 21' ' ' HIS . 98.9 Cg_endo -88.81 117.83 0.91 Allowed 'Trans proline' 0 N--CA 1.456 -0.705 0 C-N-CA 122.451 2.1 . . . . 15.0 112.208 176.365 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.446 ' CE2' HD13 ' A' ' 30' ' ' ILE . 1.1 p90 -104.61 121.76 44.21 Favored 'General case' 0 N--CA 1.437 -1.106 0 CA-C-N 114.155 -1.384 . . . . 15.0 108.924 177.738 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.716 ' HA ' ' O ' ' A' ' 18' ' ' GLU . 6.6 m-85 -89.71 118.33 29.24 Favored 'General case' 0 N--CA 1.442 -0.87 0 CA-C-N 115.576 -0.738 . . . . 15.0 109.345 -176.648 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.892 HG21 ' HB3' ' B' ' 117' ' ' TYR . 14.3 mt -105.1 136.74 37.6 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.937 0 CA-C-N 115.833 -0.622 . . . . 15.0 110.794 -177.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.514 ' HB3' ' HB ' ' A' ' 36' ' ' THR . 0.4 OUTLIER -89.99 109.76 20.78 Favored 'General case' 0 C--N 1.309 -1.191 0 CA-C-N 114.891 -1.05 . . . . 15.0 108.596 169.821 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.57 ' NE2' ' HB ' ' A' ' 30' ' ' ILE . 13.0 m170 -93.31 1.89 56.8 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.024 -0.989 . . . . 15.0 110.753 -173.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 13.3 m-80 -84.6 -22.74 29.89 Favored 'General case' 0 CA--C 1.516 -0.351 0 N-CA-C 109.416 -0.587 . . . . 15.0 109.416 177.34 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.752 HG21 ' HG3' ' A' ' 35' ' ' LYS . 24.8 m -135.54 -79.08 0.43 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.743 -0.662 . . . . 15.0 111.064 179.125 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.752 ' HG3' HG21 ' A' ' 34' ' ' THR . 0.0 OUTLIER 173.99 24.45 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 111.621 0.23 . . . . 15.0 111.621 -178.148 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.514 ' HB ' ' HB3' ' A' ' 31' ' ' ASP . 1.0 OUTLIER -89.83 150.44 22.24 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 120.517 -0.473 . . . . 15.0 110.426 -168.134 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 1.03 ' HB ' ' HB2' ' B' ' 114' ' ' PRO . 16.9 p -139.39 132.9 30.3 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.089 0.471 . . . . 15.0 111.709 -177.252 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.543 ' OG1' ' HG3' ' A' ' 40' ' ' GLU . 8.1 t -150.08 150.0 31.09 Favored 'General case' 0 C--O 1.221 -0.433 0 CA-C-N 116.034 -0.53 . . . . 15.0 110.198 -179.69 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 64.4 m95 -91.89 -14.19 30.04 Favored 'General case' 0 CA--C 1.511 -0.524 0 CA-C-O 121.441 0.639 . . . . 15.0 110.345 177.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.543 ' HG3' ' OG1' ' A' ' 38' ' ' THR . 0.3 OUTLIER -94.25 157.88 15.85 Favored 'General case' 0 N--CA 1.437 -1.125 0 CA-C-N 115.622 -0.717 . . . . 15.0 110.503 -173.424 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.664 ' OD1' ' HB3' ' A' ' 43' ' ' ARG . 10.0 t0 -98.49 128.99 31.36 Favored Pre-proline 0 C--N 1.316 -0.882 0 CA-C-N 115.609 -0.723 . . . . 15.0 111.233 -163.467 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -66.88 -12.75 37.27 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 123.001 2.467 . . . . 15.0 112.612 178.571 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.664 ' HB3' ' OD1' ' A' ' 41' ' ' ASP . 9.9 ttp180 -79.46 -14.91 58.59 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.806 0.812 . . . . 15.0 110.051 175.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 85.8 mt -78.65 -9.47 59.4 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.183 -0.917 . . . . 15.0 110.146 174.461 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt . . . . . 0 C--O 1.249 1.031 0 CA-C-N 114.667 -1.152 . . . . 15.0 109.724 178.011 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.48 1.041 0 N-CA-C 110.101 -0.333 . . . . 15.0 110.101 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 56.4 mt -45.9 118.32 4.28 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.073 0.858 . . . . 15.0 111.859 179.246 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 114' ' ' PRO . . . . . 1.03 ' HB2' ' HB ' ' A' ' 37' ' ' THR . 23.8 Cg_exo -62.96 132.87 38.75 Favored 'Trans proline' 0 CA--C 1.533 0.427 0 C-N-CA 122.648 2.232 . . . . 15.0 111.901 176.361 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 115' ' ' PRO . . . . . 0.416 ' HA ' ' HD2' ' B' ' 116' ' ' PRO . 39.1 Cg_exo -58.12 123.71 14.27 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.707 2.271 . . . . 15.0 113.074 175.03 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 116' ' ' PRO . . . . . 0.416 ' HD2' ' HA ' ' B' ' 115' ' ' PRO . 6.5 Cg_endo -48.86 -179.53 0.01 OUTLIER 'Trans proline' 0 N--CA 1.416 -3.072 0 C-N-CA 125.182 3.921 . . . . 15.0 114.602 167.853 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 117' ' ' TYR . . . . . 0.892 ' HB3' HG21 ' A' ' 30' ' ' ILE . 8.1 p90 -93.68 123.49 37.05 Favored 'General case' 1 C--N 1.239 -4.207 1 CA-C-N 105.964 -5.107 . . . . 15.0 110.149 -178.742 . . . . . . . . 4 3 . 1 . 002 nuclear orig core ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 27.6 m -98.31 -0.97 10.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.726 0.774 . . . . 15.0 109.475 173.601 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 . . . . . 0 C--N 1.321 -0.637 0 CA-C-N 114.564 -1.198 . . . . 15.0 110.087 -177.867 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.639 HD11 ' HG2' ' A' ' 42' ' ' PRO . 3.3 mm? . . . . . 0 C--O 1.237 0.403 0 N-CA-C 109.784 -0.45 . . . . 15.0 109.784 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.727 ' HB2' ' CD1' ' A' ' 17' ' ' TRP . 13.0 Cg_exo -49.87 151.3 8.47 Favored 'Trans proline' 0 CA--C 1.491 -1.667 0 C-N-CA 123.737 2.958 . . . . 15.0 114.697 170.151 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.444 ' HD3' ' HA ' ' A' ' 15' ' ' LYS . 27.4 mmtp -67.5 128.21 35.58 Favored 'General case' 0 C--N 1.283 -2.307 0 CA-C-N 112.01 -2.359 . . . . 15.0 111.225 -171.766 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.16 -4.53 85.39 Favored Glycine 0 C--O 1.225 -0.441 0 CA-C-N 114.903 -1.044 . . . . 15.0 112.216 -174.617 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.727 ' CD1' ' HB2' ' A' ' 14' ' ' PRO . 40.3 m95 -89.75 123.89 34.15 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.007 0.432 . . . . 15.0 109.861 176.025 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.45 ' O ' ' HA ' ' A' ' 29' ' ' PHE . 23.2 mt-10 -124.17 140.9 52.52 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-O 121.973 0.892 . . . . 15.0 112.261 -176.094 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.502 HG22 ' CD2' ' A' ' 29' ' ' PHE . 9.9 t -111.2 100.59 11.08 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.553 0 CA-C-N 113.851 -1.522 . . . . 15.0 109.654 -179.491 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.617 ' O ' ' HA ' ' A' ' 27' ' ' PRO . 0.1 OUTLIER -117.51 145.4 44.24 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.675 -0.491 . . . . 15.0 109.675 179.351 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.687 ' HD2' ' N ' ' A' ' 27' ' ' PRO . 1.3 m170 -90.02 113.25 24.9 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.173 -0.677 . . . . 15.0 109.173 176.084 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.24 164.86 55.91 Favored Pre-proline 0 C--N 1.32 -0.706 0 CA-C-N 116.231 -0.441 . . . . 15.0 110.01 177.132 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -56.3 -9.8 3.96 Favored 'Trans proline' 0 C--N 1.35 0.65 0 C-N-CA 123.248 2.632 . . . . 15.0 113.192 177.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 62.8 t30 -80.02 -9.99 59.74 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.667 -0.864 . . . . 15.0 108.667 178.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 83.87 33.09 22.27 Favored Glycine 0 N--CA 1.44 -1.07 0 CA-C-N 114.914 -1.039 . . . . 15.0 111.655 179.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.613 ' C ' ' HD2' ' A' ' 21' ' ' HIS . 29.4 mmt180 -140.59 146.51 45.12 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-O 120.598 0.237 . . . . 15.0 110.739 -173.693 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.687 ' N ' ' HD2' ' A' ' 21' ' ' HIS . 84.0 Cg_endo -88.29 112.61 0.72 Allowed 'Trans proline' 0 N--CA 1.46 -0.474 0 C-N-CA 122.754 2.303 . . . . 15.0 111.994 174.874 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.534 ' HD1' ' H ' ' A' ' 28' ' ' PHE . 0.4 OUTLIER -99.8 124.39 45.03 Favored 'General case' 0 N--CA 1.438 -1.032 0 CA-C-N 114.484 -1.234 . . . . 15.0 108.062 174.179 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.502 ' CD2' HG22 ' A' ' 19' ' ' VAL . 5.7 m-85 -89.74 113.53 25.06 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.422 -0.808 . . . . 15.0 109.096 -174.636 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.652 HG23 ' HB3' ' B' ' 117' ' ' TYR . 20.4 mt -98.65 130.65 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.3 0 CA-C-N 115.243 -0.889 . . . . 15.0 111.002 -177.802 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -90.35 103.32 16.01 Favored 'General case' 0 C--N 1.304 -1.39 0 CA-C-N 114.628 -1.169 . . . . 15.0 108.364 168.338 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.488 ' CD2' ' HB ' ' A' ' 30' ' ' ILE . 12.3 m-70 -81.24 1.77 30.84 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 114.792 -1.095 . . . . 15.0 110.828 -173.706 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 26.5 m-80 -89.11 -46.81 8.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 15.0 110.879 179.407 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -115.55 10.02 15.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.416 -0.357 . . . . 15.0 111.944 -173.636 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.528 ' HZ1' ' HB2' ' A' ' 35' ' ' LYS . 0.0 OUTLIER 70.64 18.91 6.26 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 121.161 0.505 . . . . 15.0 110.742 176.513 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 69.7 p -97.97 150.28 21.53 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 121.976 -0.453 . . . . 15.0 110.73 -173.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.7 ' HB ' ' HB2' ' B' ' 114' ' ' PRO . 1.6 p -125.28 150.25 47.27 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.192 0.52 . . . . 15.0 112.124 -178.691 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 53.7 m -147.88 148.18 30.55 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.603 -0.726 . . . . 15.0 110.003 -176.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 93.2 m95 -90.69 -35.87 14.67 Favored 'General case' 0 CA--C 1.504 -0.825 0 CA-C-O 121.818 0.818 . . . . 15.0 110.578 177.229 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.475 ' CD ' ' HZ2' ' A' ' 45' ' ' LYS . 2.1 pp20? -88.08 160.9 17.61 Favored 'General case' 0 N--CA 1.431 -1.424 0 CA-C-N 114.411 -1.268 . . . . 15.0 110.888 -170.207 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.633 ' OD1' ' HB3' ' A' ' 43' ' ' ARG . 10.1 t70 -92.21 122.73 64.29 Favored Pre-proline 0 C--N 1.316 -0.863 0 CA-C-N 115.477 -0.783 . . . . 15.0 111.031 -163.665 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.639 ' HG2' HD11 ' A' ' 13' ' ' LEU . 38.5 Cg_endo -67.71 -12.38 35.31 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 123.041 2.494 . . . . 15.0 113.475 -176.494 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.633 ' HB3' ' OD1' ' A' ' 41' ' ' ASP . 0.6 OUTLIER -78.18 -20.19 52.42 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.717 0.77 . . . . 15.0 109.647 176.495 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 90.8 mt -74.83 -9.66 58.76 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 114.948 -1.024 . . . . 15.0 111.169 178.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.475 ' HZ2' ' CD ' ' A' ' 40' ' ' GLU . 62.2 mttm . . . . . 0 C--O 1.251 1.172 0 CA-C-N 114.848 -1.069 . . . . 15.0 110.256 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 . . . . . 0 N--CA 1.482 1.144 0 N-CA-C 110.262 -0.273 . . . . 15.0 110.262 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 113' ' ' ILE . . . . . 0.534 HD11 ' HD2' ' B' ' 114' ' ' PRO . 6.8 tp -153.95 120.13 2.82 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-N 116.516 -0.311 . . . . 15.0 110.667 -179.381 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 114' ' ' PRO . . . . . 0.7 ' HB2' ' HB ' ' A' ' 37' ' ' THR . 35.8 Cg_endo -87.8 119.69 1.33 Allowed 'Trans proline' 0 N--CA 1.453 -0.889 0 C-N-CA 122.272 1.982 . . . . 15.0 112.155 173.518 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 115' ' ' PRO . . . . . 0.414 ' HA ' ' HD2' ' B' ' 116' ' ' PRO . 36.9 Cg_exo -64.51 127.8 19.78 Favored 'Trans proline' 0 N--CA 1.475 0.411 0 C-N-CA 123.111 2.541 . . . . 15.0 113.245 174.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 116' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' B' ' 115' ' ' PRO . 6.7 Cg_endo -48.94 -179.58 0.01 OUTLIER 'Trans proline' 0 N--CA 1.414 -3.165 0 C-N-CA 124.723 3.616 . . . . 15.0 114.746 169.38 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 117' ' ' TYR . . . . . 0.652 ' HB3' HG23 ' A' ' 30' ' ' ILE . 1.9 p90 -76.96 119.75 21.13 Favored 'General case' 1 C--N 1.239 -4.229 1 CA-C-N 106.221 -4.991 . . . . 15.0 110.408 -177.471 . . . . . . . . 4 3 . 1 . 003 nuclear orig core ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 11.2 p -100.68 -16.49 7.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 108.159 -1.052 . . . . 15.0 108.159 169.109 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 119' ' ' GLU . . . . . 0.466 ' O ' ' HD1' ' B' ' 117' ' ' TYR . 1.3 mm-40 . . . . . 0 C--N 1.324 -0.501 0 CA-C-N 114.177 -1.374 . . . . 15.0 109.09 178.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.668 HD11 ' HG2' ' A' ' 42' ' ' PRO . 3.2 mm? . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.381 0.134 . . . . 15.0 110.771 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.657 ' HB2' ' CD1' ' A' ' 17' ' ' TRP . 4.1 Cg_exo -49.38 151.26 7.04 Favored 'Trans proline' 0 CA--C 1.494 -1.494 0 C-N-CA 124.053 3.169 . . . . 15.0 115.211 167.751 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 20.7 pttp -60.32 140.41 57.12 Favored 'General case' 0 C--N 1.288 -2.069 0 CA-C-N 111.626 -2.534 . . . . 15.0 110.422 -173.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 75.57 -8.24 21.13 Favored Glycine 0 C--N 1.318 -0.453 0 CA-C-N 115.524 -0.762 . . . . 15.0 113.094 -176.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.657 ' CD1' ' HB2' ' A' ' 14' ' ' PRO . 62.1 m95 -89.84 112.65 24.05 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 117.476 0.638 . . . . 15.0 109.882 177.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.504 ' O ' ' HA ' ' A' ' 29' ' ' PHE . 41.8 mm-40 -108.83 146.16 34.12 Favored 'General case' 0 C--N 1.312 -1.041 0 CA-C-N 115.452 -0.794 . . . . 15.0 111.916 -175.109 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.5 HG23 ' CD2' ' A' ' 29' ' ' PHE . 16.3 t -113.06 101.72 12.9 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.02 0 CA-C-N 114.356 -1.293 . . . . 15.0 109.521 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.695 ' O ' ' HA ' ' A' ' 27' ' ' PRO . 20.5 tpp180 -116.56 144.9 43.8 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.761 -0.459 . . . . 15.0 109.761 179.132 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.638 ' HD2' ' N ' ' A' ' 27' ' ' PRO . 0.8 OUTLIER -107.82 110.04 21.74 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.673 -1.232 . . . . 15.0 107.673 -178.197 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.95 160.35 8.69 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 116.451 -0.341 . . . . 15.0 110.177 -178.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_exo -56.86 -18.4 27.41 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.494 2.129 . . . . 15.0 113.168 -178.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 20.6 p30 -80.45 -13.11 59.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.407 0.623 . . . . 15.0 109.82 177.534 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 88.39 37.62 7.52 Favored Glycine 0 N--CA 1.436 -1.359 0 CA-C-N 115.06 -0.973 . . . . 15.0 112.546 -179.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -120.67 126.59 26.65 Favored Pre-proline 0 C--N 1.321 -0.671 0 N-CA-C 109.3 -0.63 . . . . 15.0 109.3 173.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.695 ' HA ' ' O ' ' A' ' 20' ' ' ARG . 72.6 Cg_endo -89.01 117.53 0.84 Allowed 'Trans proline' 0 N--CA 1.453 -0.885 0 C-N-CA 122.226 1.951 . . . . 15.0 112.391 178.3 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -105.47 122.28 45.67 Favored 'General case' 0 N--CA 1.439 -1.022 0 CA-C-N 113.625 -1.625 . . . . 15.0 108.961 178.769 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.504 ' HA ' ' O ' ' A' ' 18' ' ' GLU . 7.2 m-85 -89.87 114.2 25.93 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.337 -0.616 . . . . 15.0 109.337 -175.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.711 HG21 ' HB3' ' B' ' 117' ' ' TYR . 17.3 mt -99.0 138.17 24.25 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 115.576 -0.738 . . . . 15.0 111.177 -175.301 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -92.31 112.82 24.91 Favored 'General case' 0 C--N 1.309 -1.188 0 CA-C-N 115.311 -0.859 . . . . 15.0 108.823 168.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.666 ' CE1' ' HB2' ' B' ' 117' ' ' TYR . 12.3 m170 -93.94 4.54 53.77 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.417 -0.811 . . . . 15.0 110.613 -175.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 22.0 m-80 -89.81 -63.59 1.26 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.048 0.451 . . . . 15.0 110.31 178.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.412 ' O ' ' HB3' ' A' ' 35' ' ' LYS . 11.0 m -106.57 -3.53 20.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.862 -0.608 . . . . 15.0 110.974 -174.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.534 ' HD2' ' HB3' ' B' ' 116' ' ' PRO . 4.9 tppp? 70.34 85.93 0.13 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.713 -0.676 . . . . 15.0 111.222 -179.074 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.8 p -143.68 150.04 38.12 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.558 -0.746 . . . . 15.0 109.059 172.145 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.958 ' HB ' ' HB2' ' B' ' 114' ' ' PRO . 33.2 p -127.88 137.48 52.34 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.097 0.475 . . . . 15.0 112.12 -175.861 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.507 ' OG1' ' HG3' ' A' ' 40' ' ' GLU . 9.7 t -150.14 150.08 31.15 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.85 -0.614 . . . . 15.0 109.79 178.715 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 67.0 m95 -90.31 -10.68 43.22 Favored 'General case' 0 CA--C 1.513 -0.451 0 CA-C-O 121.086 0.469 . . . . 15.0 109.899 178.073 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.507 ' HG3' ' OG1' ' A' ' 38' ' ' THR . 0.8 OUTLIER -104.53 157.4 17.19 Favored 'General case' 0 N--CA 1.441 -0.875 0 CA-C-N 115.543 -0.753 . . . . 15.0 110.407 -174.116 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -92.79 135.68 25.88 Favored Pre-proline 0 C--N 1.319 -0.76 0 N-CA-C 113.101 0.778 . . . . 15.0 113.101 -164.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.668 ' HG2' HD11 ' A' ' 13' ' ' LEU . 58.7 Cg_endo -73.22 -9.91 23.72 Favored 'Trans proline' 0 CA--C 1.531 0.367 0 C-N-CA 123.294 2.663 . . . . 15.0 112.817 176.54 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 16.1 tpp180 -76.71 -32.09 57.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.078 0.466 . . . . 15.0 110.75 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.42 HD22 ' HA ' ' A' ' 44' ' ' LEU . 9.6 mt -80.14 -9.41 59.71 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.923 -0.58 . . . . 15.0 112.167 -179.645 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.664 ' HE2' ' HA ' ' A' ' 45' ' ' LYS . 9.8 mmpt? . . . . . 0 C--O 1.25 1.084 0 CA-C-N 115.463 -0.789 . . . . 15.0 110.229 -179.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 27.2 mp0 . . . . . 0 N--CA 1.482 1.134 0 CA-C-O 120.616 0.246 . . . . 15.0 110.397 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 50.8 mm -98.97 110.99 59.71 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 116.121 -0.49 . . . . 15.0 110.566 -177.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 114' ' ' PRO . . . . . 0.958 ' HB2' ' HB ' ' A' ' 37' ' ' THR . 12.1 Cg_exo -68.05 128.04 17.0 Favored 'Trans proline' 0 CA--C 1.531 0.37 0 C-N-CA 122.569 2.18 . . . . 15.0 112.142 177.644 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 115' ' ' PRO . . . . . 0.409 ' HA ' ' HD2' ' B' ' 116' ' ' PRO . 31.7 Cg_exo -60.59 126.67 20.47 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.642 2.228 . . . . 15.0 112.747 173.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 116' ' ' PRO . . . . . 0.534 ' HB3' ' HD2' ' A' ' 35' ' ' LYS . 7.3 Cg_endo -49.21 -179.49 0.01 OUTLIER 'Trans proline' 0 N--CA 1.414 -3.151 0 C-N-CA 125.121 3.88 . . . . 15.0 114.919 169.033 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 117' ' ' TYR . . . . . 0.711 ' HB3' HG21 ' A' ' 30' ' ' ILE . 2.0 p90 -81.99 128.49 34.13 Favored 'General case' 0 C--N 1.244 -3.996 1 CA-C-N 105.993 -5.094 . . . . 15.0 110.12 -178.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 19.8 m -109.79 -12.06 11.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 121.532 0.682 . . . . 15.0 109.255 175.324 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 CA-C-N 114.962 -1.017 . . . . 15.0 109.255 176.159 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.456 ' HB2' ' HG2' ' A' ' 42' ' ' PRO . 4.4 pp . . . . . 0 CA--C 1.53 0.199 0 CA-C-O 120.582 0.229 . . . . 15.0 110.588 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.777 ' HB2' ' CD1' ' A' ' 17' ' ' TRP . 30.5 Cg_exo -49.72 151.23 8.08 Favored 'Trans proline' 0 CA--C 1.497 -1.329 0 C-N-CA 124.819 3.679 . . . . 15.0 116.748 -178.746 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.636 ' HZ3' ' HB3' ' A' ' 15' ' ' LYS . 10.2 mtpm? -71.15 135.92 47.86 Favored 'General case' 0 C--N 1.293 -1.876 0 CA-C-N 111.061 -2.791 . . . . 15.0 110.562 -177.182 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 83.28 2.91 90.32 Favored Glycine 0 C--N 1.319 -0.397 0 CA-C-N 115.613 -0.721 . . . . 15.0 111.545 -177.114 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.777 ' CD1' ' HB2' ' A' ' 14' ' ' PRO . 26.5 m95 -93.58 111.32 22.97 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.51 0.672 . . . . 15.0 109.966 176.111 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.66 ' O ' ' HA ' ' A' ' 29' ' ' PHE . 4.9 mt-10 -99.76 150.17 22.6 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.128 -0.942 . . . . 15.0 111.482 -175.791 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.512 HG22 ' CD2' ' A' ' 29' ' ' PHE . 15.8 t -118.38 89.92 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.347 0 CA-C-N 114.622 -1.172 . . . . 15.0 109.113 175.38 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.593 ' O ' ' HA ' ' A' ' 27' ' ' PRO . 18.6 ttm180 -102.32 135.59 43.65 Favored 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 120.643 -0.423 . . . . 15.0 110.142 -178.766 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.658 ' HD2' ' N ' ' A' ' 27' ' ' PRO . 0.1 OUTLIER -91.46 110.44 21.75 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 108.107 -1.072 . . . . 15.0 108.107 175.957 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.19 164.81 12.53 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-N 116.446 -0.343 . . . . 15.0 110.499 -179.501 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_exo -60.3 -16.34 40.39 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.558 2.172 . . . . 15.0 113.145 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 26.4 p30 -80.27 -14.29 58.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.294 0.569 . . . . 15.0 109.834 175.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.91 37.89 5.92 Favored Glycine 0 N--CA 1.44 -1.063 0 CA-C-N 115.066 -0.97 . . . . 15.0 113.098 178.147 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.503 ' C ' ' HD2' ' A' ' 21' ' ' HIS . 23.2 mmt180 -127.21 138.38 32.63 Favored Pre-proline 0 C--N 1.326 -0.419 0 O-C-N 122.815 -0.227 . . . . 15.0 110.574 177.535 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.658 ' N ' ' HD2' ' A' ' 21' ' ' HIS . 94.3 Cg_endo -88.18 113.41 0.78 Allowed 'Trans proline' 0 C--N 1.343 0.252 0 C-N-CA 122.26 1.973 . . . . 15.0 112.475 175.54 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.402 ' H ' ' HD1' ' A' ' 28' ' ' PHE . 0.3 OUTLIER -105.01 126.7 52.35 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 114.378 -1.283 . . . . 15.0 108.703 174.935 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.66 ' HA ' ' O ' ' A' ' 18' ' ' GLU . 6.9 m-85 -89.94 114.38 26.18 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.654 -0.703 . . . . 15.0 109.434 -174.05 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.821 HG21 ' HB3' ' B' ' 117' ' ' TYR . 21.2 mt -96.65 127.77 48.48 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.876 0 CA-C-N 115.279 -0.873 . . . . 15.0 110.763 -177.057 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.444 ' HB3' ' O ' ' A' ' 36' ' ' THR . 1.8 t70 -90.97 104.64 17.2 Favored 'General case' 0 C--N 1.302 -1.494 0 CA-C-N 114.928 -1.033 . . . . 15.0 108.639 172.054 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.456 ' CE1' ' HB2' ' B' ' 117' ' ' TYR . 11.4 m170 -84.64 0.61 49.61 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.271 -0.877 . . . . 15.0 110.545 -174.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 28.2 m-80 -87.21 -69.9 0.65 Allowed 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 121.079 0.466 . . . . 15.0 110.041 177.394 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -83.64 -3.75 57.99 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.899 -0.591 . . . . 15.0 110.085 -178.436 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.5 ' HD2' ' CE1' ' B' ' 117' ' ' TYR . 70.1 mmtt 70.84 29.83 3.02 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 115.267 -0.879 . . . . 15.0 110.555 175.626 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.444 ' O ' ' HB3' ' A' ' 31' ' ' ASP . 61.4 p -106.76 150.2 26.55 Favored 'General case' 0 C--O 1.219 -0.517 0 CA-C-N 115.867 -0.606 . . . . 15.0 110.694 -176.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.617 ' HB ' ' HB2' ' B' ' 114' ' ' PRO . 2.5 p -121.48 141.09 51.36 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 121.905 -0.497 . . . . 15.0 112.161 -177.414 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.777 ' HG1' ' HG3' ' A' ' 40' ' ' GLU . 12.7 t -150.09 150.35 31.57 Favored 'General case' 0 C--O 1.224 -0.252 0 CA-C-N 116.253 -0.43 . . . . 15.0 110.364 178.845 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 52.4 m95 -89.84 -7.88 53.3 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.963 0.411 . . . . 15.0 110.952 -178.533 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.777 ' HG3' ' HG1' ' A' ' 38' ' ' THR . 0.9 OUTLIER -94.26 162.42 13.86 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 116.098 -0.501 . . . . 15.0 110.804 -172.529 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.725 ' HB3' ' HG2' ' A' ' 43' ' ' ARG . 2.1 m-20 -93.62 118.04 67.41 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 115.806 -0.634 . . . . 15.0 111.741 -170.308 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.456 ' HG2' ' HB2' ' A' ' 13' ' ' LEU . 56.4 Cg_endo -69.19 -9.62 26.81 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.639 2.226 . . . . 15.0 111.668 175.156 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.725 ' HG2' ' HB3' ' A' ' 41' ' ' ASP . 8.0 ptp85 -71.53 -26.82 62.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.047 -0.524 . . . . 15.0 110.884 177.102 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 84.6 mt -80.36 -9.73 59.75 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-O 121.564 0.697 . . . . 15.0 111.128 179.085 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.452 ' HD3' ' OE1' ' A' ' 40' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.094 0 CA-C-N 114.986 -1.006 . . . . 15.0 110.724 -173.461 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 . . . . . 0 N--CA 1.479 0.985 0 CA-C-O 120.799 0.333 . . . . 15.0 110.319 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 113' ' ' ILE . . . . . 0.525 HD13 ' HD2' ' B' ' 114' ' ' PRO . 5.9 tp -151.47 113.77 3.03 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 116.231 -0.44 . . . . 15.0 110.535 -179.628 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 114' ' ' PRO . . . . . 0.617 ' HB2' ' HB ' ' A' ' 37' ' ' THR . 43.1 Cg_endo -84.35 120.14 2.47 Favored 'Trans proline' 0 N--CA 1.457 -0.661 0 C-N-CA 122.648 2.232 . . . . 15.0 112.71 178.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 115' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -58.22 130.95 40.35 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 123.13 2.553 . . . . 15.0 113.262 175.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 7.1 Cg_endo -49.15 -179.4 0.01 OUTLIER 'Trans proline' 0 N--CA 1.414 -3.166 0 C-N-CA 124.968 3.779 . . . . 15.0 115.038 167.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 117' ' ' TYR . . . . . 0.821 ' HB3' HG21 ' A' ' 30' ' ' ILE . 23.3 p90 -76.92 141.38 40.53 Favored 'General case' 1 C--N 1.241 -4.142 1 CA-C-N 105.733 -5.212 . . . . 15.0 110.883 -179.34 . . . . . . . . 4 3 . 1 . 005 nuclear orig core ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 11.2 p -100.53 -23.95 4.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 108.621 -0.881 . . . . 15.0 108.621 172.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 119' ' ' GLU . . . . . 0.439 ' O ' ' HD2' ' B' ' 117' ' ' TYR . 7.9 mm-40 . . . . . 0 C--N 1.325 -0.488 0 CA-C-N 114.574 -1.194 . . . . 15.0 109.133 177.16 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.0 pp . . . . . 0 C--O 1.233 0.235 0 N-CA-C 109.852 -0.425 . . . . 15.0 109.852 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.65 ' HB2' ' CD1' ' A' ' 17' ' ' TRP . 22.9 Cg_exo -49.63 151.0 8.06 Favored 'Trans proline' 0 CA--C 1.497 -1.331 0 C-N-CA 124.663 3.575 . . . . 15.0 116.935 -177.001 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 28.4 ttpp -73.78 131.12 41.23 Favored 'General case' 0 C--N 1.294 -1.82 0 CA-C-N 110.955 -2.838 . . . . 15.0 110.148 -175.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.59 24.31 56.48 Favored Glycine 0 N--CA 1.447 -0.57 0 N-CA-C 111.052 -0.819 . . . . 15.0 111.052 -174.425 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.65 ' CD1' ' HB2' ' A' ' 14' ' ' PRO . 24.0 m95 -115.46 121.15 41.87 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.759 -0.46 . . . . 15.0 109.759 174.67 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.526 ' HB2' ' CE1' ' A' ' 32' ' ' HIS . 1.5 tm-20 -120.41 133.78 55.37 Favored 'General case' 0 CA--C 1.503 -0.847 0 CA-C-O 121.862 0.839 . . . . 15.0 109.974 -173.667 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.457 HG21 ' CD2' ' A' ' 29' ' ' PHE . 10.7 t -108.23 89.98 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.294 -1.839 0 CA-C-N 113.677 -1.601 . . . . 15.0 110.267 -173.739 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.767 ' O ' ' HA ' ' A' ' 27' ' ' PRO . 5.8 tpp180 -98.21 150.11 21.85 Favored 'General case' 0 C--O 1.213 -0.84 0 CA-C-N 115.909 -0.587 . . . . 15.0 109.805 -177.836 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.69 ' HD2' ' N ' ' A' ' 27' ' ' PRO . 0.8 OUTLIER -114.54 110.92 20.56 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 108.777 -0.823 . . . . 15.0 108.777 -177.049 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.563 ' HB3' ' HD2' ' A' ' 23' ' ' PRO . . . -60.06 163.75 7.42 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 115.936 -0.575 . . . . 15.0 110.616 -178.283 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.563 ' HD2' ' HB3' ' A' ' 22' ' ' ALA . 22.4 Cg_endo -61.52 -18.95 62.63 Favored 'Trans proline' 0 C--N 1.35 0.615 0 C-N-CA 122.503 2.135 . . . . 15.0 113.203 -178.26 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 23.4 p30 -80.33 -10.05 59.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.545 0.688 . . . . 15.0 109.418 175.263 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 83.79 44.2 6.9 Favored Glycine 0 N--CA 1.435 -1.385 0 CA-C-N 114.712 -1.131 . . . . 15.0 112.39 -178.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 24.1 mmm180 -120.64 131.0 24.59 Favored Pre-proline 0 C--N 1.324 -0.517 0 N-CA-C 110.148 -0.316 . . . . 15.0 110.148 172.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.767 ' HA ' ' O ' ' A' ' 20' ' ' ARG . 97.3 Cg_endo -88.3 116.6 0.95 Allowed 'Trans proline' 0 N--CA 1.455 -0.769 0 C-N-CA 121.965 1.777 . . . . 15.0 112.293 176.107 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -103.62 119.62 39.27 Favored 'General case' 0 N--CA 1.437 -1.098 0 CA-C-N 113.478 -1.692 . . . . 15.0 108.936 177.178 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.457 ' CD2' HG21 ' A' ' 19' ' ' VAL . 5.5 m-85 -89.76 121.65 32.11 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.815 -0.63 . . . . 15.0 109.461 -174.379 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.881 ' HB ' ' CE1' ' A' ' 32' ' ' HIS . 16.4 mt -100.61 134.54 40.13 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.054 0 CA-C-N 115.239 -0.891 . . . . 15.0 111.124 -175.235 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.417 ' O ' ' HA ' ' A' ' 35' ' ' LYS . 8.6 t70 -93.61 118.76 31.78 Favored 'General case' 0 C--N 1.312 -1.05 0 N-CA-C 108.078 -1.082 . . . . 15.0 108.078 169.541 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.881 ' CE1' ' HB ' ' A' ' 30' ' ' ILE . 5.4 m80 -97.74 4.05 49.99 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.177 0.513 . . . . 15.0 110.106 -171.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 31.3 m-80 -89.83 -55.06 3.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.432 -0.804 . . . . 15.0 109.919 178.562 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.0 t -108.92 1.71 20.93 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.732 -0.667 . . . . 15.0 110.407 -179.315 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.929 ' HG3' ' HE1' ' B' ' 117' ' ' TYR . 3.6 mppt? 62.56 50.31 3.62 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 115.57 -0.741 . . . . 15.0 111.49 175.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 35.2 p -118.23 129.84 55.72 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.138 -0.483 . . . . 15.0 110.41 177.196 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.917 ' HB ' ' HG2' ' B' ' 114' ' ' PRO . 1.9 p -105.55 140.52 38.51 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.317 -0.401 . . . . 15.0 111.764 -176.437 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 4.4 t -150.01 142.89 24.79 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 109.262 -0.644 . . . . 15.0 109.262 178.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 24.6 m95 -83.15 -30.05 28.15 Favored 'General case' 0 CA--C 1.507 -0.675 0 CA-C-O 121.945 0.878 . . . . 15.0 110.097 -177.333 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.422 ' CD ' ' H ' ' A' ' 40' ' ' GLU . 2.3 pm0 -80.77 124.07 28.75 Favored 'General case' 0 C--N 1.308 -1.23 0 CA-C-N 114.06 -1.427 . . . . 15.0 110.33 -175.163 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -50.6 134.83 26.19 Favored Pre-proline 0 C--N 1.319 -0.72 0 CA-C-N 114.066 -1.424 . . . . 15.0 112.285 -173.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -65.04 -9.92 23.53 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.835 2.356 . . . . 15.0 111.193 172.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 17.9 mtm180 -77.53 -12.76 60.0 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 114.979 -1.01 . . . . 15.0 110.529 179.223 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 85.7 mt -79.82 -9.93 59.72 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 114.861 -1.063 . . . . 15.0 110.677 177.105 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.493 ' HB3' ' HZ2' ' A' ' 45' ' ' LYS . 3.7 mmmp? . . . . . 0 C--N 1.313 -1.005 0 CA-C-N 114.811 -1.086 . . . . 15.0 111.027 -176.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 . . . . . 0 N--CA 1.475 0.778 0 CA-C-O 120.611 0.243 . . . . 15.0 110.5 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 113' ' ' ILE . . . . . 0.43 HD11 ' N ' ' B' ' 113' ' ' ILE . 0.2 OUTLIER -138.32 119.03 10.11 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.375 -0.375 . . . . 15.0 110.775 178.304 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 114' ' ' PRO . . . . . 0.917 ' HG2' ' HB ' ' A' ' 37' ' ' THR . 27.3 Cg_endo -80.7 138.8 12.11 Favored 'Trans proline' 0 N--CA 1.458 -0.617 0 C-N-CA 122.384 2.056 . . . . 15.0 112.516 178.23 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 115' ' ' PRO . . . . . 0.405 ' HA ' ' HD2' ' B' ' 116' ' ' PRO . 73.1 Cg_exo -49.3 127.62 18.25 Favored 'Trans proline' 0 N--CA 1.475 0.414 0 C-N-CA 123.794 2.996 . . . . 15.0 114.539 175.043 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 116' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' B' ' 115' ' ' PRO . 4.7 Cg_endo -49.21 -179.61 0.01 OUTLIER 'Trans proline' 0 N--CA 1.414 -3.194 0 C-N-CA 124.919 3.746 . . . . 15.0 114.401 163.639 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 117' ' ' TYR . . . . . 0.929 ' HE1' ' HG3' ' A' ' 35' ' ' LYS . 41.9 p90 -78.34 132.36 37.39 Favored 'General case' 1 C--N 1.243 -4.055 1 CA-C-N 106.197 -5.001 . . . . 15.0 111.071 -175.801 . . . . . . . . 4 3 . 1 . 006 nuclear orig core ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 25.9 t -89.55 -15.78 8.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.566 0.698 . . . . 15.0 109.576 175.229 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 . . . . . 0 C--N 1.325 -0.46 0 CA-C-N 115.335 -0.848 . . . . 15.0 110.858 -179.366 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.3 pp . . . . . 0 C--O 1.234 0.273 0 N-CA-C 109.393 -0.595 . . . . 15.0 109.393 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.592 ' HB2' ' CD1' ' A' ' 17' ' ' TRP . 39.5 Cg_exo -49.71 150.94 8.39 Favored 'Trans proline' 0 CA--C 1.495 -1.47 0 C-N-CA 124.081 3.187 . . . . 15.0 116.142 -176.565 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -72.77 140.37 47.69 Favored 'General case' 0 C--N 1.288 -2.068 0 CA-C-N 111.142 -2.753 . . . . 15.0 109.706 -174.396 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.25 -5.4 67.51 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 121.055 -0.593 . . . . 15.0 111.81 -177.007 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.592 ' CD1' ' HB2' ' A' ' 14' ' ' PRO . 35.9 m95 -90.03 110.24 21.23 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.229 -0.656 . . . . 15.0 109.229 175.559 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.626 ' O ' ' HA ' ' A' ' 29' ' ' PHE . 18.5 mm-40 -108.19 145.01 34.83 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-O 122.009 0.909 . . . . 15.0 112.545 -172.507 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.501 HG22 ' CD2' ' A' ' 29' ' ' PHE . 11.5 t -115.33 105.3 18.29 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.18 0 CA-C-N 113.568 -1.651 . . . . 15.0 109.585 179.609 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.705 ' O ' ' HA ' ' A' ' 27' ' ' PRO . 15.6 ttm180 -127.69 150.06 49.94 Favored 'General case' 0 C--N 1.319 -0.747 0 C-N-CA 120.698 -0.401 . . . . 15.0 110.093 179.048 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.702 ' HD2' ' N ' ' A' ' 27' ' ' PRO . 0.3 OUTLIER -95.38 118.17 31.64 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 109.738 -0.467 . . . . 15.0 109.738 -179.806 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.39 161.9 65.86 Favored Pre-proline 0 C--N 1.32 -0.713 0 N-CA-C 109.304 -0.628 . . . . 15.0 109.304 172.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_exo -58.14 -14.91 20.98 Favored 'Trans proline' 0 C--N 1.348 0.538 0 C-N-CA 122.876 2.384 . . . . 15.0 113.914 -175.298 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 30.7 p-10 -80.42 -13.23 59.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.284 0.564 . . . . 15.0 109.71 178.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 96.8 28.52 8.76 Favored Glycine 0 N--CA 1.439 -1.104 0 CA-C-N 115.471 -0.786 . . . . 15.0 112.885 179.208 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.54 ' C ' ' HD2' ' A' ' 21' ' ' HIS . 6.0 mmp_? -123.38 141.32 35.88 Favored Pre-proline 0 C--O 1.221 -0.44 0 CA-C-O 120.735 0.302 . . . . 15.0 111.253 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.705 ' HA ' ' O ' ' A' ' 20' ' ' ARG . 85.9 Cg_endo -88.06 113.78 0.83 Allowed 'Trans proline' 0 N--CA 1.459 -0.521 0 C-N-CA 122.506 2.137 . . . . 15.0 112.204 174.535 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.52 ' HD1' ' H ' ' A' ' 28' ' ' PHE . 0.3 OUTLIER -99.78 124.95 45.58 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-N 113.772 -1.558 . . . . 15.0 108.38 175.181 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.626 ' HA ' ' O ' ' A' ' 18' ' ' GLU . 12.1 m-85 -89.72 113.0 24.44 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-O 121.46 0.647 . . . . 15.0 109.4 -175.136 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.771 HG21 ' HB3' ' B' ' 117' ' ' TYR . 21.4 mt -96.26 131.59 42.66 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.973 0 CA-C-N 115.024 -0.989 . . . . 15.0 110.556 -177.83 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -90.41 105.56 17.9 Favored 'General case' 0 C--N 1.302 -1.48 0 CA-C-N 115.134 -0.939 . . . . 15.0 108.769 172.366 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.486 ' HE2' ' HB ' ' A' ' 30' ' ' ILE . 11.0 m170 -87.77 2.12 52.09 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.403 -0.817 . . . . 15.0 110.094 -176.45 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 25.4 m-80 -89.27 -66.17 0.95 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.653 -0.703 . . . . 15.0 110.316 179.014 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.98 -1.81 31.05 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.716 -0.675 . . . . 15.0 111.002 -174.01 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.682 ' HG3' ' HE1' ' B' ' 117' ' ' TYR . 0.0 OUTLIER 66.5 85.61 0.14 Allowed 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.521 -0.763 . . . . 15.0 110.573 -177.242 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -146.13 150.32 35.68 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 114.873 -1.058 . . . . 15.0 108.688 -178.398 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 1.019 ' HB ' ' HB2' ' B' ' 114' ' ' PRO . 20.1 p -132.38 131.49 41.9 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-O 121.111 0.482 . . . . 15.0 112.045 -178.534 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.409 ' OG1' ' HG3' ' A' ' 40' ' ' GLU . 11.3 t -150.17 150.29 31.42 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.79 -0.641 . . . . 15.0 109.926 -179.081 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 70.4 m95 -89.04 -11.37 44.33 Favored 'General case' 0 CA--C 1.512 -0.482 0 C-N-CA 120.912 -0.315 . . . . 15.0 110.617 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.409 ' HG3' ' OG1' ' A' ' 38' ' ' THR . 0.9 OUTLIER -101.84 158.12 16.35 Favored 'General case' 0 N--CA 1.442 -0.871 0 CA-C-O 121.393 0.616 . . . . 15.0 111.812 -170.513 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.707 ' HB3' ' HG2' ' A' ' 43' ' ' ARG . 2.3 m-20 -84.74 127.58 64.57 Favored Pre-proline 0 C--N 1.322 -0.621 0 CA-C-N 115.051 -0.977 . . . . 15.0 111.256 -171.261 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.764 ' HA ' ' HE2' ' A' ' 45' ' ' LYS . 23.4 Cg_endo -62.25 -9.75 16.14 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.872 2.381 . . . . 15.0 112.695 176.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.707 ' HG2' ' HB3' ' A' ' 41' ' ' ASP . 19.8 ptt180 -78.24 -19.4 53.83 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.842 0.353 . . . . 15.0 110.48 176.474 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 83.0 mt -80.47 -9.54 59.76 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-O 121.575 0.702 . . . . 15.0 111.044 178.592 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.764 ' HE2' ' HA ' ' A' ' 42' ' ' PRO . 41.4 pttt . . . . . 0 C--N 1.31 -1.134 0 CA-C-N 114.886 -1.052 . . . . 15.0 110.781 -176.377 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 . . . . . 0 N--CA 1.477 0.921 0 CA-C-O 121.138 0.494 . . . . 15.0 110.291 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 77.3 mt -133.31 114.78 13.67 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-N 115.77 -0.65 . . . . 15.0 109.945 -178.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 114' ' ' PRO . . . . . 1.019 ' HB2' ' HB ' ' A' ' 37' ' ' THR . 23.7 Cg_exo -63.32 127.28 19.64 Favored 'Trans proline' 0 CA--C 1.531 0.362 0 C-N-CA 122.51 2.14 . . . . 15.0 112.205 177.337 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 115' ' ' PRO . . . . . 0.411 ' HA ' ' HD2' ' B' ' 116' ' ' PRO . 38.9 Cg_exo -60.57 130.81 35.03 Favored 'Trans proline' 0 CA--C 1.531 0.353 0 C-N-CA 122.975 2.45 . . . . 15.0 112.986 172.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 116' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' B' ' 115' ' ' PRO . 7.3 Cg_endo -49.38 -179.26 0.01 OUTLIER 'Trans proline' 0 N--CA 1.416 -3.078 0 C-N-CA 124.963 3.775 . . . . 15.0 115.384 167.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 117' ' ' TYR . . . . . 0.771 ' HB3' HG21 ' A' ' 30' ' ' ILE . 41.1 p90 -74.5 127.41 32.99 Favored 'General case' 1 C--N 1.244 -4.006 1 CA-C-N 105.856 -5.156 . . . . 15.0 110.067 -179.453 . . . . . . . . 4 3 . 1 . 007 nuclear orig core ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 28.6 m -89.47 -0.49 8.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.223 0.535 . . . . 15.0 109.776 173.684 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 119' ' ' GLU . . . . . 0.427 ' CD ' HH22 ' A' ' 20' ' ' ARG . 11.8 pt-20 . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 115.151 -0.931 . . . . 15.0 109.717 -179.236 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.1 mp . . . . . 0 C--O 1.233 0.235 0 N-CA-C 110.318 -0.253 . . . . 15.0 110.318 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.704 ' HB2' ' CD1' ' A' ' 17' ' ' TRP . 8.8 Cg_exo -49.93 151.11 8.86 Favored 'Trans proline' 0 CA--C 1.495 -1.473 0 C-N-CA 123.608 2.872 . . . . 15.0 114.638 168.354 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.73 119.8 8.85 Favored 'General case' 0 C--N 1.287 -2.126 0 CA-C-N 111.522 -2.581 . . . . 15.0 110.793 -172.507 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 86.45 5.26 82.45 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 121.155 -0.545 . . . . 15.0 112.746 178.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.704 ' CD1' ' HB2' ' A' ' 14' ' ' PRO . 31.9 m95 -92.33 124.37 36.34 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.091 0.472 . . . . 15.0 110.365 176.209 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.539 ' O ' ' HA ' ' A' ' 29' ' ' PHE . 36.7 mm-40 -124.92 149.96 47.06 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.642 -0.708 . . . . 15.0 112.169 -174.147 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.57 HG22 ' CD2' ' A' ' 29' ' ' PHE . 11.7 t -118.31 107.39 21.72 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.866 0 CA-C-N 115.329 -0.851 . . . . 15.0 110.234 178.438 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.623 ' O ' ' HA ' ' A' ' 27' ' ' PRO . 24.2 ttm180 -117.89 140.44 49.7 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.605 -0.517 . . . . 15.0 109.605 177.517 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.688 ' HD2' ' N ' ' A' ' 27' ' ' PRO . 0.1 OUTLIER -93.07 112.02 23.84 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.434 -0.951 . . . . 15.0 108.434 176.77 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.548 ' HB1' ' HD2' ' A' ' 23' ' ' PRO . . . -65.22 161.8 45.98 Favored Pre-proline 0 C--N 1.322 -0.591 0 N-CA-C 109.989 -0.375 . . . . 15.0 109.989 178.33 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.548 ' HD2' ' HB1' ' A' ' 22' ' ' ALA . 11.7 Cg_endo -56.63 -18.97 28.18 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.744 2.296 . . . . 15.0 113.465 -177.432 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 30.4 p-10 -80.33 -11.36 59.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.329 0.585 . . . . 15.0 109.598 179.555 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 94.22 27.33 12.25 Favored Glycine 0 N--CA 1.438 -1.168 0 CA-C-N 115.084 -0.962 . . . . 15.0 112.9 177.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.495 ' C ' ' HD2' ' A' ' 21' ' ' HIS . 24.2 mmm180 -117.77 136.19 23.6 Favored Pre-proline 0 C--N 1.326 -0.456 0 CA-C-O 120.609 0.242 . . . . 15.0 110.832 177.655 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.688 ' N ' ' HD2' ' A' ' 21' ' ' HIS . 95.0 Cg_endo -88.39 114.63 0.81 Allowed 'Trans proline' 0 N--CA 1.457 -0.646 0 C-N-CA 122.346 2.031 . . . . 15.0 111.845 174.74 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.58 ' HB2' ' HB3' ' B' ' 114' ' ' PRO . 0.4 OUTLIER -104.03 124.26 48.7 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 113.931 -1.486 . . . . 15.0 108.904 177.859 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.57 ' CD2' HG22 ' A' ' 19' ' ' VAL . 5.8 m-85 -89.78 113.84 25.45 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.644 -0.707 . . . . 15.0 109.298 -174.447 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.624 HG23 ' HB3' ' B' ' 117' ' ' TYR . 26.1 mt -95.02 131.15 42.62 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.911 0 CA-C-N 115.163 -0.926 . . . . 15.0 110.801 -176.289 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -92.67 105.74 17.84 Favored 'General case' 0 C--N 1.307 -1.243 0 CA-C-N 114.903 -1.044 . . . . 15.0 108.379 168.61 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.511 ' CE1' ' HB2' ' B' ' 117' ' ' TYR . 11.6 m170 -82.92 -0.92 50.72 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 114.921 -1.036 . . . . 15.0 110.85 -172.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 13.6 m-80 -90.2 -49.94 6.27 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.949 0.404 . . . . 15.0 110.944 -179.709 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -106.24 4.82 29.25 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.336 -0.393 . . . . 15.0 110.848 -175.594 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.778 ' HG3' ' HE1' ' B' ' 117' ' ' TYR . 0.0 OUTLIER 66.35 24.62 10.52 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 115.798 -0.637 . . . . 15.0 111.214 178.808 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 71.0 p -99.3 150.06 22.5 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.472 -0.331 . . . . 15.0 110.144 -175.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 1.027 ' HB ' ' HB2' ' B' ' 114' ' ' PRO . 1.8 p -132.48 143.72 49.96 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.956 0.407 . . . . 15.0 111.869 -176.011 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -150.15 150.33 31.49 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 115.889 -0.596 . . . . 15.0 109.921 -176.851 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 97.2 m95 -88.93 -20.7 24.18 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-O 121.154 0.502 . . . . 15.0 111.947 -172.433 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.447 ' CD ' ' H ' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -117.41 132.77 56.51 Favored 'General case' 0 C--N 1.309 -1.19 0 CA-C-N 115.718 -0.674 . . . . 15.0 111.908 -165.612 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -39.13 135.4 1.06 Allowed Pre-proline 0 N--CA 1.467 0.416 0 CA-C-N 114.254 -1.339 . . . . 15.0 113.434 -170.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.553 ' HA ' ' HE2' ' A' ' 45' ' ' LYS . 35.0 Cg_endo -65.84 -9.87 24.64 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.725 2.283 . . . . 15.0 111.12 172.19 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 70.7 mtt85 -72.82 -17.18 61.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.438 -0.801 . . . . 15.0 109.99 177.435 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 92.1 mt -79.84 -9.92 59.72 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.372 -0.831 . . . . 15.0 110.669 178.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.553 ' HE2' ' HA ' ' A' ' 42' ' ' PRO . 3.6 mppt? . . . . . 0 C--N 1.309 -1.182 0 CA-C-N 114.765 -1.107 . . . . 15.0 109.778 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 . . . . . 0 N--CA 1.48 1.06 0 CA-C-O 121.244 0.545 . . . . 15.0 110.894 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 19.1 pt -134.21 113.3 12.34 Favored Pre-proline 0 C--N 1.322 -0.593 0 CA-C-N 115.822 -0.626 . . . . 15.0 110.519 179.349 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 114' ' ' PRO . . . . . 1.027 ' HB2' ' HB ' ' A' ' 37' ' ' THR . 22.8 Cg_exo -63.22 126.79 18.57 Favored 'Trans proline' 0 CA--C 1.529 0.272 0 C-N-CA 122.303 2.002 . . . . 15.0 111.772 177.04 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 115' ' ' PRO . . . . . 0.406 ' HA ' ' HD2' ' B' ' 116' ' ' PRO . 52.8 Cg_exo -56.39 128.65 30.97 Favored 'Trans proline' 0 N--CA 1.472 0.262 0 C-N-CA 122.779 2.319 . . . . 15.0 112.724 174.599 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 116' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' B' ' 115' ' ' PRO . 7.0 Cg_endo -49.36 -179.47 0.01 OUTLIER 'Trans proline' 0 N--CA 1.413 -3.253 0 C-N-CA 124.533 3.489 . . . . 15.0 114.854 169.335 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 117' ' ' TYR . . . . . 0.778 ' HE1' ' HG3' ' A' ' 35' ' ' LYS . 12.9 p90 -76.06 143.01 41.61 Favored 'General case' 1 C--N 1.24 -4.156 1 CA-C-N 105.818 -5.173 . . . . 15.0 110.007 -179.089 . . . . . . . . 4 3 . 1 . 008 nuclear orig core ' B' B ' 118' ' ' VAL . . . . . 0.49 HG22 HH22 ' A' ' 20' ' ' ARG . 21.2 t -112.5 -13.02 11.52 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.813 0 N-CA-C 108.02 -1.104 . . . . 15.0 108.02 174.386 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.442 -0.868 0 CA-C-N 114.019 -1.446 . . . . 15.0 109.888 -177.507 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.3 mp . . . . . 0 C--O 1.234 0.273 0 CA-C-O 120.862 0.363 . . . . 15.0 111.052 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.713 ' HB2' ' CD1' ' A' ' 17' ' ' TRP . 8.3 Cg_exo -49.11 150.88 6.62 Favored 'Trans proline' 0 CA--C 1.494 -1.482 0 C-N-CA 124.866 3.711 . . . . 15.0 116.169 174.47 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -68.06 126.84 30.78 Favored 'General case' 0 C--N 1.291 -1.951 0 CA-C-N 111.327 -2.669 . . . . 15.0 110.543 -175.102 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.93 19.79 56.99 Favored Glycine 0 N--CA 1.447 -0.63 0 N-CA-C 111.587 -0.605 . . . . 15.0 111.587 -178.076 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.713 ' CD1' ' HB2' ' A' ' 14' ' ' PRO . 54.1 m95 -112.54 116.72 30.68 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.691 -0.485 . . . . 15.0 109.691 175.021 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.52 ' HB2' ' CE1' ' A' ' 32' ' ' HIS . 1.3 tm-20 -120.2 130.5 54.58 Favored 'General case' 0 CA--C 1.497 -1.085 0 CA-C-O 122.1 0.952 . . . . 15.0 109.53 -174.33 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.542 HG22 ' CD2' ' A' ' 29' ' ' PHE . 16.6 t -105.88 110.37 31.06 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.927 0 CA-C-N 112.958 -1.928 . . . . 15.0 110.213 -175.53 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.765 ' O ' ' HA ' ' A' ' 27' ' ' PRO . 18.3 ttm180 -132.3 146.59 52.09 Favored 'General case' 0 C--N 1.313 -1.001 0 C-N-CA 120.577 -0.449 . . . . 15.0 110.456 -178.514 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.735 ' HD2' ' N ' ' A' ' 27' ' ' PRO . 0.0 OUTLIER -94.68 114.43 26.36 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 108.536 -0.912 . . . . 15.0 108.536 178.621 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.571 ' HB1' ' HD2' ' A' ' 23' ' ' PRO . . . -74.56 166.87 41.38 Favored Pre-proline 0 C--N 1.317 -0.815 0 CA-C-N 116.176 -0.465 . . . . 15.0 110.003 178.663 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.571 ' HD2' ' HB1' ' A' ' 22' ' ' ALA . 12.8 Cg_endo -57.69 -9.9 6.32 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 123.054 2.503 . . . . 15.0 112.817 176.14 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 47.5 t30 -80.0 -12.13 59.73 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 108.907 -0.775 . . . . 15.0 108.907 177.314 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 89.64 8.43 67.74 Favored Glycine 0 N--CA 1.443 -0.871 0 CA-C-N 115.364 -0.835 . . . . 15.0 112.155 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.434 ' C ' ' HD2' ' A' ' 21' ' ' HIS . 9.3 mmm180 -110.74 144.0 29.37 Favored Pre-proline 0 C--N 1.32 -0.68 0 CA-C-N 115.435 -0.382 . . . . 15.0 111.114 -177.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.765 ' HA ' ' O ' ' A' ' 20' ' ' ARG . 93.7 Cg_endo -88.5 116.51 0.9 Allowed 'Trans proline' 0 N--CA 1.454 -0.832 0 C-N-CA 122.52 2.147 . . . . 15.0 111.298 171.361 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.534 ' HD1' ' H ' ' A' ' 28' ' ' PHE . 0.2 OUTLIER -100.32 121.96 42.33 Favored 'General case' 0 C--N 1.311 -1.093 0 CA-C-N 114.133 -1.394 . . . . 15.0 108.496 176.622 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.542 ' CD2' HG22 ' A' ' 19' ' ' VAL . 6.2 m-85 -89.87 113.19 24.75 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 108.614 -0.884 . . . . 15.0 108.614 -176.554 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.981 ' HB ' ' CE1' ' A' ' 32' ' ' HIS . 8.6 mt -94.88 136.89 24.67 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.126 0 CA-C-N 115.136 -0.938 . . . . 15.0 111.472 -172.5 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.439 ' HB3' ' HB ' ' A' ' 36' ' ' THR . 0.9 OUTLIER -93.99 113.33 25.3 Favored 'General case' 0 C--N 1.312 -1.042 0 CA-C-N 114.875 -1.057 . . . . 15.0 109.216 170.691 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.981 ' CE1' ' HB ' ' A' ' 30' ' ' ILE . 13.6 m80 -99.68 0.54 42.11 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.992 -1.004 . . . . 15.0 110.129 -172.203 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 19.1 m-80 -78.04 -35.45 49.71 Favored 'General case' 0 CA--C 1.516 -0.356 0 N-CA-C 109.089 -0.708 . . . . 15.0 109.089 177.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.756 HG22 ' HG3' ' A' ' 35' ' ' LYS . 56.3 m -125.04 -78.13 0.6 Allowed 'General case' 0 N--CA 1.444 -0.762 0 CA-C-N 115.03 -0.986 . . . . 15.0 110.425 177.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.756 ' HG3' HG22 ' A' ' 34' ' ' THR . 0.1 OUTLIER 171.31 29.84 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.451 0.7 . . . . 15.0 110.456 -179.349 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.439 ' HB ' ' HB3' ' A' ' 31' ' ' ASP . 0.9 OUTLIER -90.87 150.63 21.46 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.193 -0.458 . . . . 15.0 109.884 -170.377 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.948 ' HB ' ' HB2' ' B' ' 114' ' ' PRO . 4.3 p -139.37 139.27 37.15 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-O 121.234 0.54 . . . . 15.0 111.991 -177.862 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.447 ' OG1' ' HG3' ' A' ' 40' ' ' GLU . 9.7 t -150.22 150.23 31.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.485 -0.78 . . . . 15.0 109.998 -179.266 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 65.4 m95 -91.44 -10.15 42.01 Favored 'General case' 0 CA--C 1.516 -0.363 0 C-N-CA 120.746 -0.382 . . . . 15.0 111.104 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.447 ' HG3' ' OG1' ' A' ' 38' ' ' THR . 0.2 OUTLIER -101.99 160.44 14.49 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-O 121.383 0.611 . . . . 15.0 111.869 -170.5 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.824 ' HB3' ' HG2' ' A' ' 43' ' ' ARG . 2.1 m-20 -86.5 127.75 59.59 Favored Pre-proline 0 C--N 1.324 -0.512 0 CA-C-N 115.185 -0.916 . . . . 15.0 111.801 -170.334 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_endo -66.42 -9.98 25.99 Favored 'Trans proline' 0 CA--C 1.53 0.299 0 C-N-CA 122.954 2.436 . . . . 15.0 112.219 176.385 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.824 ' HG2' ' HB3' ' A' ' 41' ' ' ASP . 28.3 ptt85 -78.9 -16.25 57.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.064 -0.516 . . . . 15.0 110.709 177.458 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 85.5 mt -80.23 -9.58 59.73 Favored 'General case' 0 CA--C 1.518 -0.254 0 CA-C-O 121.785 0.802 . . . . 15.0 110.662 178.664 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.546 ' NZ ' ' HB3' ' A' ' 45' ' ' LYS . 0.6 OUTLIER . . . . . 0 C--O 1.251 1.132 0 CA-C-N 114.005 -1.452 . . . . 15.0 109.995 179.145 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 22.8 mp0 . . . . . 0 N--CA 1.482 1.171 0 N-CA-C 109.986 -0.376 . . . . 15.0 109.986 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 3.3 mp -98.14 114.38 65.08 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.703 -0.226 . . . . 15.0 110.691 -178.549 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 114' ' ' PRO . . . . . 0.948 ' HB2' ' HB ' ' A' ' 37' ' ' THR . 13.9 Cg_exo -68.0 130.1 20.92 Favored 'Trans proline' 0 CA--C 1.534 0.519 0 C-N-CA 122.568 2.179 . . . . 15.0 112.43 176.224 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 115' ' ' PRO . . . . . 0.423 ' HA ' ' HD2' ' B' ' 116' ' ' PRO . 49.4 Cg_exo -60.58 132.77 44.86 Favored 'Trans proline' 0 N--CA 1.476 0.486 0 C-N-CA 123.079 2.519 . . . . 15.0 113.393 172.283 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 116' ' ' PRO . . . . . 0.423 ' HD2' ' HA ' ' B' ' 115' ' ' PRO . 6.4 Cg_endo -49.19 -179.3 0.01 OUTLIER 'Trans proline' 0 N--CA 1.416 -3.061 0 C-N-CA 124.938 3.758 . . . . 15.0 114.681 165.201 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 117' ' ' TYR . . . . . 0.556 ' HB3' HG21 ' A' ' 30' ' ' ILE . 51.6 p90 -82.68 157.72 23.23 Favored 'General case' 1 C--N 1.242 -4.105 1 CA-C-N 106.195 -5.002 . . . . 15.0 110.657 -177.651 . . . . . . . . 4 3 . 1 . 009 nuclear orig core ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 8.7 p -129.67 -1.96 2.8 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-N 115.805 -0.634 . . . . 15.0 109.725 -177.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 . . . . . 0 C--N 1.327 -0.378 0 CA-C-N 115.608 -0.723 . . . . 15.0 110.343 -178.968 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.3 mp . . . . . 0 C--O 1.233 0.202 0 CA-C-O 120.792 0.329 . . . . 15.0 111.541 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.654 ' HB2' ' CD1' ' A' ' 17' ' ' TRP . 6.5 Cg_exo -49.49 151.15 7.48 Favored 'Trans proline' 0 CA--C 1.502 -1.115 0 C-N-CA 124.925 3.75 . . . . 15.0 115.988 170.315 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.6 tppp? -60.94 122.22 14.36 Favored 'General case' 0 C--N 1.294 -1.809 0 CA-C-N 111.41 -2.632 . . . . 15.0 110.964 -172.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 88.35 -1.55 84.38 Favored Glycine 0 N--CA 1.451 -0.338 0 CA-C-N 116.035 -0.53 . . . . 15.0 112.334 179.159 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.654 ' CD1' ' HB2' ' A' ' 14' ' ' PRO . 46.5 m95 -89.97 115.79 27.53 Favored 'General case' 0 CA--C 1.511 -0.535 0 CA-C-O 121.36 0.6 . . . . 15.0 110.015 175.681 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.652 ' O ' ' HA ' ' A' ' 29' ' ' PHE . 1.2 mm-40 -108.06 148.33 29.94 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-N 115.421 -0.808 . . . . 15.0 111.531 -177.821 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.471 HG22 ' CD2' ' A' ' 29' ' ' PHE . 5.2 t -122.52 91.88 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.304 0 CA-C-N 114.313 -1.312 . . . . 15.0 108.756 178.545 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.71 ' O ' ' HA ' ' A' ' 27' ' ' PRO . 33.3 ttm-85 -107.28 149.16 28.09 Favored 'General case' 0 C--N 1.314 -0.936 0 C-N-CA 119.981 -0.688 . . . . 15.0 110.059 -178.392 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.638 ' HD2' ' N ' ' A' ' 27' ' ' PRO . 0.2 OUTLIER -105.27 109.83 21.96 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 108.4 -0.963 . . . . 15.0 108.4 -174.813 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.604 ' HB3' ' HD2' ' A' ' 23' ' ' PRO . . . -61.76 163.74 11.75 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 116.194 -0.457 . . . . 15.0 110.465 -179.804 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.604 ' HD2' ' HB3' ' A' ' 22' ' ' ALA . 18.7 Cg_endo -59.17 -18.79 46.13 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 122.595 2.196 . . . . 15.0 113.37 -178.021 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 15.4 p30 -80.44 -10.0 59.75 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.556 0.694 . . . . 15.0 109.755 176.61 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 88.13 42.03 6.06 Favored Glycine 0 N--CA 1.438 -1.209 0 CA-C-N 115.077 -0.965 . . . . 15.0 112.466 178.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.529 ' C ' ' HD2' ' A' ' 21' ' ' HIS . 16.8 mmt180 -128.54 136.33 28.94 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 120.611 0.243 . . . . 15.0 110.929 177.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.71 ' HA ' ' O ' ' A' ' 20' ' ' ARG . 83.5 Cg_endo -88.15 115.24 0.9 Allowed 'Trans proline' 0 N--CA 1.462 -0.329 0 C-N-CA 122.398 2.065 . . . . 15.0 112.567 176.258 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.5 ' HB3' ' CZ3' ' A' ' 39' ' ' TRP . 0.9 OUTLIER -104.88 123.23 47.36 Favored 'General case' 0 N--CA 1.44 -0.944 0 CA-C-N 113.804 -1.543 . . . . 15.0 108.632 175.773 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.652 ' HA ' ' O ' ' A' ' 18' ' ' GLU . 12.1 m-85 -89.85 118.98 29.84 Favored 'General case' 0 N--CA 1.442 -0.857 0 CA-C-N 115.743 -0.662 . . . . 15.0 109.621 -174.02 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.738 HG22 ' HB3' ' B' ' 117' ' ' TYR . 29.9 mt -101.78 128.95 53.76 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.08 0 CA-C-N 115.347 -0.842 . . . . 15.0 110.346 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.431 ' HB3' ' HG1' ' A' ' 36' ' ' THR . 62.6 t0 -90.86 104.25 16.86 Favored 'General case' 0 C--N 1.308 -1.229 0 N-CA-C 107.636 -1.246 . . . . 15.0 107.636 169.705 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.503 ' HE1' ' OE2' ' B' ' 119' ' ' GLU . 11.9 m170 -79.47 -3.09 45.01 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 114.809 -1.087 . . . . 15.0 110.69 -172.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 21.0 m-80 -89.92 -52.75 4.82 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.238 0.542 . . . . 15.0 110.394 175.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.4 m -96.65 -1.62 46.34 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 115.565 -0.743 . . . . 15.0 111.786 -173.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.73 ' HG3' ' HE1' ' B' ' 117' ' ' TYR . 12.9 mptt 65.95 23.43 11.23 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-O 120.922 0.391 . . . . 15.0 110.745 -179.495 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.431 ' HG1' ' HB3' ' A' ' 31' ' ' ASP . 23.2 p -102.97 128.0 49.97 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.297 -0.411 . . . . 15.0 111.029 -174.543 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.654 ' HB ' ' HB2' ' B' ' 114' ' ' PRO . 6.8 p -108.83 136.55 48.2 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.163 0.506 . . . . 15.0 111.49 -178.364 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.668 ' OG1' ' HG3' ' A' ' 40' ' ' GLU . 5.7 t -149.16 150.05 32.02 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.915 -0.584 . . . . 15.0 110.352 -176.451 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.5 ' CZ3' ' HB3' ' A' ' 28' ' ' PHE . 45.3 m95 -93.82 -7.93 41.93 Favored 'General case' 0 CA--C 1.508 -0.665 0 CA-C-O 121.017 0.436 . . . . 15.0 110.197 179.229 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.668 ' HG3' ' OG1' ' A' ' 38' ' ' THR . 1.2 pp20? -91.21 151.86 20.77 Favored 'General case' 0 N--CA 1.437 -1.109 0 C-N-CA 120.024 -0.671 . . . . 15.0 109.993 -175.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -101.72 129.14 27.26 Favored Pre-proline 0 C--N 1.314 -0.946 0 CA-C-N 115.19 -0.914 . . . . 15.0 111.01 -162.392 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_endo -65.38 -13.7 41.13 Favored 'Trans proline' 0 CA--C 1.531 0.351 0 C-N-CA 122.725 2.284 . . . . 15.0 113.293 -179.04 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 4.2 ptp180 -79.11 -17.19 55.54 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.631 0.729 . . . . 15.0 109.62 177.534 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 83.6 mt -74.81 -9.64 58.74 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 114.974 -1.012 . . . . 15.0 110.698 178.466 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.541 ' HB2' ' HZ2' ' A' ' 45' ' ' LYS . 4.1 ttmp? . . . . . 0 C--N 1.312 -1.05 0 CA-C-N 114.591 -1.186 . . . . 15.0 109.463 177.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.479 0.999 0 N-CA-C 109.289 -0.634 . . . . 15.0 109.289 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 13.4 tt -66.28 117.53 44.31 Favored Pre-proline 0 CA--C 1.539 0.53 0 CA-C-O 120.977 0.418 . . . . 15.0 112.096 -176.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 114' ' ' PRO . . . . . 0.654 ' HB2' ' HB ' ' A' ' 37' ' ' THR . 5.0 Cg_exo -73.99 138.87 26.34 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.433 2.089 . . . . 15.0 111.892 172.154 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 115' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_exo -54.5 125.16 18.04 Favored 'Trans proline' 0 CA--C 1.53 0.325 0 C-N-CA 123.044 2.496 . . . . 15.0 113.243 173.272 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 7.6 Cg_endo -49.02 -179.65 0.01 OUTLIER 'Trans proline' 0 N--CA 1.415 -3.11 0 C-N-CA 125.202 3.935 . . . . 15.0 115.233 167.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 117' ' ' TYR . . . . . 0.738 ' HB3' HG22 ' A' ' 30' ' ' ILE . 30.1 p90 -79.22 132.42 36.5 Favored 'General case' 1 C--N 1.244 -4.005 1 CA-C-N 105.77 -5.196 . . . . 15.0 110.14 179.804 . . . . . . . . 4 3 . 1 . 010 nuclear orig core ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 28.2 m -110.3 -9.99 11.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-O 121.131 0.491 . . . . 15.0 110.216 178.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 119' ' ' GLU . . . . . 0.503 ' OE2' ' HE1' ' A' ' 32' ' ' HIS . 2.8 mp0 . . . . . 0 C--N 1.326 -0.446 0 CA-C-N 115.469 -0.787 . . . . 15.0 110.652 179.444 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.633 HD11 HG22 ' A' ' 19' ' ' VAL . 47.3 mt . . . . . 0 CA--C 1.515 -0.402 0 CA-C-O 121.33 0.586 . . . . 15.0 111.976 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.702 ' HB2' ' CD1' ' A' ' 17' ' ' TRP . 0.8 OUTLIER -49.55 151.07 7.73 Favored 'Trans proline' 0 CA--C 1.494 -1.477 0 C-N-CA 123.676 2.917 . . . . 15.0 113.872 160.864 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 44.8 tptt -59.06 122.6 14.15 Favored 'General case' 0 C--N 1.283 -2.293 0 CA-C-N 111.48 -2.6 . . . . 15.0 110.702 -172.013 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 83.07 8.7 85.27 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 121.165 -0.54 . . . . 15.0 112.722 176.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.702 ' CD1' ' HB2' ' A' ' 14' ' ' PRO . 25.8 m95 -89.97 140.35 29.71 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.359 0.6 . . . . 15.0 110.784 176.577 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.731 ' O ' ' HA ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -129.52 150.09 51.01 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.074 -0.966 . . . . 15.0 110.446 -176.177 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.633 HG22 HD11 ' A' ' 13' ' ' LEU . 19.4 t -130.87 90.47 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.296 -1.747 0 CA-C-N 114.401 -1.272 . . . . 15.0 108.656 175.413 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.697 ' O ' ' HA ' ' A' ' 27' ' ' PRO . 26.2 ttm180 -117.09 147.02 42.76 Favored 'General case' 0 C--N 1.314 -0.944 0 C-N-CA 120.43 -0.508 . . . . 15.0 109.933 -178.089 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.744 ' HD2' ' N ' ' A' ' 27' ' ' PRO . 2.9 m170 -94.65 119.34 33.13 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 109.275 -0.639 . . . . 15.0 109.275 178.379 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.585 ' HB2' ' HD2' ' A' ' 23' ' ' PRO . . . -69.92 164.71 49.28 Favored Pre-proline 0 C--N 1.32 -0.676 0 N-CA-C 109.614 -0.513 . . . . 15.0 109.614 174.57 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.585 ' HD2' ' HB2' ' A' ' 22' ' ' ALA . 15.9 Cg_endo -58.09 -12.13 11.94 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 122.542 2.161 . . . . 15.0 113.347 -179.207 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 21.0 p30 -80.45 -15.52 56.58 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.305 0.574 . . . . 15.0 109.979 177.242 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 97.27 22.81 15.98 Favored Glycine 0 N--CA 1.439 -1.124 0 CA-C-N 115.629 -0.714 . . . . 15.0 112.922 177.571 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.581 ' C ' ' HD2' ' A' ' 21' ' ' HIS . 26.4 mmm180 -122.86 143.82 41.35 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 122.647 -0.325 . . . . 15.0 111.298 -178.411 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.744 ' N ' ' HD2' ' A' ' 21' ' ' HIS . 82.6 Cg_endo -88.5 120.33 1.21 Allowed 'Trans proline' 0 N--CA 1.459 -0.555 0 C-N-CA 122.892 2.395 . . . . 15.0 112.233 176.284 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.422 ' CE2' HD11 ' A' ' 30' ' ' ILE . 1.7 p90 -107.59 123.33 48.3 Favored 'General case' 0 N--CA 1.434 -1.228 0 CA-C-N 113.741 -1.572 . . . . 15.0 108.559 176.327 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.731 ' HA ' ' O ' ' A' ' 18' ' ' GLU . 4.8 m-85 -89.85 114.71 26.51 Favored 'General case' 0 N--CA 1.441 -0.892 0 N-CA-C 109.354 -0.61 . . . . 15.0 109.354 -175.106 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.631 HG23 ' HB3' ' B' ' 117' ' ' TYR . 15.9 mt -98.51 135.41 33.46 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.918 0 CA-C-N 115.501 -0.772 . . . . 15.0 110.931 -176.764 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -97.4 107.84 20.44 Favored 'General case' 0 C--N 1.309 -1.19 0 CA-C-N 114.975 -1.011 . . . . 15.0 108.697 170.455 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.586 ' HE2' ' HB ' ' A' ' 30' ' ' ILE . 10.7 m170 -87.15 0.75 54.81 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.059 -0.973 . . . . 15.0 110.583 -172.79 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 13.0 m-80 -90.21 -67.5 0.84 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 15.0 110.388 179.197 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 8.7 m -86.3 -4.95 59.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.405 0.621 . . . . 15.0 109.777 -179.229 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.519 ' HD2' ' CE1' ' B' ' 117' ' ' TYR . 29.5 mmtp 72.33 33.09 1.55 Allowed 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 114.731 -1.122 . . . . 15.0 110.75 173.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 48.0 p -102.72 150.25 23.65 Favored 'General case' 0 C--O 1.22 -0.459 0 CA-C-N 116.031 -0.531 . . . . 15.0 110.763 -177.574 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.958 ' HB ' ' HB2' ' B' ' 114' ' ' PRO . 20.6 p -121.91 142.89 49.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 121.931 -0.481 . . . . 15.0 111.982 -178.798 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.517 ' OG1' ' HG3' ' A' ' 40' ' ' GLU . 9.7 t -150.15 150.19 31.29 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 116.019 -0.537 . . . . 15.0 110.203 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 86.4 m95 -89.24 -15.63 33.15 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 120.998 0.428 . . . . 15.0 111.094 178.629 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.517 ' HG3' ' OG1' ' A' ' 38' ' ' THR . 0.6 OUTLIER -99.98 160.55 14.23 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-O 121.551 0.691 . . . . 15.0 112.146 -166.576 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -88.49 136.29 31.6 Favored Pre-proline 0 C--N 1.321 -0.661 0 CA-C-N 114.963 -1.017 . . . . 15.0 111.95 -165.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -66.73 -10.04 26.72 Favored 'Trans proline' 0 CA--C 1.53 0.308 0 C-N-CA 122.875 2.383 . . . . 15.0 112.472 176.248 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.444 ' HD3' ' HA ' ' A' ' 43' ' ' ARG . 19.1 mmt180 -75.27 -11.96 60.18 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.961 0.41 . . . . 15.0 111.037 176.769 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 92.8 mt -80.16 -9.72 59.73 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.695 0.759 . . . . 15.0 110.058 176.312 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 76.9 mttt . . . . . 0 C--N 1.314 -0.954 0 CA-C-N 114.528 -1.215 . . . . 15.0 110.028 -173.454 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 . . . . . 0 N--CA 1.477 0.883 0 CA-C-O 120.917 0.389 . . . . 15.0 110.702 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 47.9 mm -111.06 111.32 56.15 Favored Pre-proline 0 C--N 1.324 -0.529 0 N-CA-C 109.506 -0.553 . . . . 15.0 109.506 177.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 114' ' ' PRO . . . . . 0.958 ' HB2' ' HB ' ' A' ' 37' ' ' THR . 4.7 Cg_exo -71.47 119.7 6.43 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 121.672 1.581 . . . . 15.0 111.721 179.758 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 115' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_exo -68.34 136.3 36.62 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.568 2.179 . . . . 15.0 112.315 174.477 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_endo -49.2 -179.55 0.01 OUTLIER 'Trans proline' 0 N--CA 1.415 -3.142 0 C-N-CA 124.998 3.799 . . . . 15.0 114.778 167.258 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 117' ' ' TYR . . . . . 0.631 ' HB3' HG23 ' A' ' 30' ' ' ILE . 24.6 p90 -76.59 131.72 39.06 Favored 'General case' 1 C--N 1.239 -4.201 1 CA-C-N 105.711 -5.222 . . . . 15.0 109.495 179.402 . . . . . . . . 4 3 . 1 . 011 nuclear orig core ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 5.6 t -112.18 40.12 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-O 121.725 0.774 . . . . 15.0 110.081 -173.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 119' ' ' GLU . . . . . 0.464 ' OE1' ' HB2' ' B' ' 117' ' ' TYR . 2.3 mp0 . . . . . 0 C--N 1.323 -0.551 0 N-CA-C 109.096 -0.705 . . . . 15.0 109.096 176.388 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.7 mp . . . . . 0 C--O 1.233 0.209 0 N-CA-C 109.984 -0.376 . . . . 15.0 109.984 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.722 ' HB2' ' CD1' ' A' ' 17' ' ' TRP . 15.9 Cg_exo -49.55 150.93 7.9 Favored 'Trans proline' 0 CA--C 1.496 -1.385 0 C-N-CA 123.913 3.075 . . . . 15.0 115.362 176.431 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -63.69 120.07 11.11 Favored 'General case' 0 C--N 1.292 -1.909 0 CA-C-N 111.198 -2.728 . . . . 15.0 110.822 -172.273 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 91.34 0.17 73.88 Favored Glycine 0 N--CA 1.448 -0.566 0 CA-C-N 116.123 -0.489 . . . . 15.0 112.219 178.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.722 ' CD1' ' HB2' ' A' ' 14' ' ' PRO . 40.6 m95 -89.97 114.62 26.48 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.298 0.57 . . . . 15.0 110.572 177.82 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.581 ' O ' ' HA ' ' A' ' 29' ' ' PHE . 3.0 mt-10 -102.96 150.06 23.91 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.233 -0.894 . . . . 15.0 111.827 -178.09 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.532 HG21 ' CD2' ' A' ' 29' ' ' PHE . 15.9 t -119.02 103.17 14.08 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.188 0 CA-C-N 114.343 -1.299 . . . . 15.0 108.926 173.668 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.684 ' O ' ' HA ' ' A' ' 27' ' ' PRO . 10.6 ttm180 -125.92 146.6 49.78 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 120.681 -0.407 . . . . 15.0 109.977 -178.593 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.751 ' HD2' ' N ' ' A' ' 27' ' ' PRO . 0.0 OUTLIER -96.75 118.87 34.15 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 109.123 -0.695 . . . . 15.0 109.123 -177.751 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.16 160.68 82.08 Favored Pre-proline 0 C--N 1.32 -0.706 0 N-CA-C 109.228 -0.656 . . . . 15.0 109.228 175.273 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -59.82 -10.51 12.17 Favored 'Trans proline' 0 CA--C 1.534 0.504 0 C-N-CA 122.77 2.313 . . . . 15.0 113.393 -177.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 20.3 p30 -80.41 -12.99 59.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.305 0.574 . . . . 15.0 109.968 176.537 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.37 9.9 46.21 Favored Glycine 0 N--CA 1.44 -1.089 0 CA-C-N 115.45 -0.795 . . . . 15.0 113.095 177.447 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.446 ' C ' ' HD2' ' A' ' 21' ' ' HIS . 10.5 mmm180 -111.16 140.75 23.17 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 122.701 -0.293 . . . . 15.0 111.342 -178.316 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.751 ' N ' ' HD2' ' A' ' 21' ' ' HIS . 93.7 Cg_endo -88.58 115.15 0.8 Allowed 'Trans proline' 0 N--CA 1.457 -0.667 0 C-N-CA 122.659 2.239 . . . . 15.0 111.85 173.383 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.559 ' HD1' ' H ' ' A' ' 28' ' ' PHE . 0.4 OUTLIER -99.52 124.14 44.42 Favored 'General case' 0 N--CA 1.437 -1.118 0 CA-C-N 114.383 -1.281 . . . . 15.0 108.48 176.488 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.581 ' HA ' ' O ' ' A' ' 18' ' ' GLU . 7.2 m-85 -89.71 117.84 28.87 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.51 -0.768 . . . . 15.0 109.374 -174.868 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.694 HG21 ' HB3' ' B' ' 117' ' ' TYR . 20.0 mt -104.49 134.67 45.22 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.885 0 CA-C-N 115.618 -0.719 . . . . 15.0 111.377 -175.522 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -89.95 115.35 27.18 Favored 'General case' 0 C--N 1.307 -1.262 0 N-CA-C 108.096 -1.076 . . . . 15.0 108.096 168.013 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.42 ' NE2' ' HB ' ' A' ' 30' ' ' ILE . 11.9 m170 -94.32 5.04 53.01 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 115.842 -0.617 . . . . 15.0 110.927 -174.171 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 26.5 m-80 -90.02 -62.28 1.5 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.032 0.444 . . . . 15.0 110.846 177.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.8 m -111.43 2.58 17.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.004 -0.543 . . . . 15.0 110.599 -174.101 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.1 tmmm? 66.66 92.26 0.08 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.368 -0.833 . . . . 15.0 110.208 -178.536 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.1 m -140.61 150.31 43.43 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 114.81 -1.086 . . . . 15.0 108.279 177.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 1.089 ' HB ' ' HB2' ' B' ' 114' ' ' PRO . 5.5 p -138.23 135.9 36.02 Favored 'General case' 0 C--N 1.313 -1.007 0 C-N-CA 120.39 -0.524 . . . . 15.0 112.101 -176.092 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 14.7 t -150.27 150.21 31.21 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 115.68 -0.691 . . . . 15.0 109.408 -179.472 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 70.0 m95 -91.09 -19.87 22.66 Favored 'General case' 0 CA--C 1.512 -0.511 0 CA-C-O 121.897 0.856 . . . . 15.0 109.697 176.778 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -103.6 128.91 50.79 Favored 'General case' 0 C--N 1.31 -1.139 0 CA-C-N 114.263 -1.335 . . . . 15.0 110.613 -168.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -52.65 130.65 46.09 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 114.41 -1.268 . . . . 15.0 111.923 -170.381 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -68.84 -9.91 27.61 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.805 2.337 . . . . 15.0 112.093 178.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 11.2 tpp180 -76.95 -23.49 52.38 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.395 0.617 . . . . 15.0 110.13 178.455 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 88.4 mt -72.18 -9.81 58.94 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.35 -0.841 . . . . 15.0 110.811 174.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 45.7 mmtm . . . . . 0 C--N 1.308 -1.213 0 CA-C-N 114.799 -1.091 . . . . 15.0 109.722 177.631 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 . . . . . 0 N--CA 1.479 0.997 0 N-CA-C 109.822 -0.436 . . . . 15.0 109.822 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 64.9 mt 69.56 103.68 0.03 OUTLIER Pre-proline 0 C--O 1.234 0.244 0 O-C-N 123.648 0.593 . . . . 15.0 110.628 -177.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 114' ' ' PRO . . . . . 1.089 ' HB2' ' HB ' ' A' ' 37' ' ' THR . 9.8 Cg_exo -69.05 127.61 15.42 Favored 'Trans proline' 0 N--CA 1.461 -0.393 0 C-N-CA 122.249 1.966 . . . . 15.0 111.802 178.211 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 115' ' ' PRO . . . . . 0.464 ' HA ' ' HD2' ' B' ' 116' ' ' PRO . 93.0 Cg_endo -81.81 134.56 8.51 Favored 'Trans proline' 0 CA--C 1.529 0.257 0 C-N-CA 122.897 2.398 . . . . 15.0 112.729 179.246 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 116' ' ' PRO . . . . . 0.464 ' HD2' ' HA ' ' B' ' 115' ' ' PRO . 7.3 Cg_endo -48.56 -179.64 0.01 OUTLIER 'Trans proline' 0 N--CA 1.419 -2.895 1 C-N-CA 125.396 4.064 . . . . 15.0 115.661 172.886 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 117' ' ' TYR . . . . . 0.694 ' HB3' HG21 ' A' ' 30' ' ' ILE . 30.4 p90 -70.86 120.08 15.93 Favored 'General case' 1 C--N 1.243 -4.039 1 CA-C-N 105.84 -5.163 . . . . 15.0 110.101 -177.807 . . . . . . . . 4 3 . 1 . 012 nuclear orig core ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 14.4 p -80.43 -14.11 12.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 121.663 0.745 . . . . 15.0 109.626 176.025 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 . . . . . 0 C--N 1.323 -0.574 0 CA-C-N 115.134 -0.939 . . . . 15.0 109.794 179.553 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.2 mp . . . . . 0 N--CA 1.455 -0.22 0 CA-C-O 120.585 0.231 . . . . 15.0 110.383 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.668 ' HB2' ' CD1' ' A' ' 17' ' ' TRP . 15.8 Cg_exo -49.65 151.25 7.86 Favored 'Trans proline' 0 CA--C 1.493 -1.562 0 C-N-CA 124.33 3.354 . . . . 15.0 115.38 174.433 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.6 mptt -65.14 137.11 57.44 Favored 'General case' 0 C--N 1.291 -1.937 0 CA-C-N 111.221 -2.718 . . . . 15.0 110.142 -174.068 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.82 -1.33 68.31 Favored Glycine 0 C--N 1.319 -0.397 0 CA-C-N 115.413 -0.812 . . . . 15.0 112.731 -179.258 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.668 ' CD1' ' HB2' ' A' ' 14' ' ' PRO . 49.4 m95 -90.24 103.86 16.5 Favored 'General case' 0 CA--C 1.516 -0.354 0 CA-C-O 121.392 0.615 . . . . 15.0 109.537 175.76 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.561 ' O ' ' HA ' ' A' ' 29' ' ' PHE . 27.4 mm-40 -96.02 145.68 25.25 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.911 -1.04 . . . . 15.0 111.735 -174.73 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.475 HG21 ' CD2' ' A' ' 29' ' ' PHE . 10.0 t -117.66 91.0 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.848 0 CA-C-N 114.97 -1.014 . . . . 15.0 110.121 -179.23 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.614 ' O ' ' HA ' ' A' ' 27' ' ' PRO . 6.7 ttm180 -105.67 134.52 48.65 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.606 -0.438 . . . . 15.0 110.123 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.69 ' HD2' ' N ' ' A' ' 27' ' ' PRO . 0.2 OUTLIER -91.01 107.76 19.41 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 108.143 -1.058 . . . . 15.0 108.143 176.21 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.608 ' HB2' ' HD2' ' A' ' 23' ' ' PRO . . . -63.01 164.57 12.71 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 116.556 -0.293 . . . . 15.0 110.385 -178.533 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.608 ' HD2' ' HB2' ' A' ' 22' ' ' ALA . 16.8 Cg_endo -58.1 -16.82 28.9 Favored 'Trans proline' 0 C--N 1.35 0.614 0 C-N-CA 122.754 2.302 . . . . 15.0 113.493 -178.402 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.416 ' OD1' ' HB3' ' A' ' 22' ' ' ALA . 32.4 p-10 -80.49 -11.05 59.72 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.21 -0.663 . . . . 15.0 109.21 177.379 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 85.58 39.32 8.31 Favored Glycine 0 N--CA 1.437 -1.266 0 CA-C-N 114.8 -1.091 . . . . 15.0 112.382 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.411 ' HD3' ' HA ' ' A' ' 26' ' ' ARG . 18.9 mmt180 -127.18 133.92 25.58 Favored Pre-proline 0 C--N 1.324 -0.538 0 N-CA-C 110.099 -0.334 . . . . 15.0 110.099 175.258 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.69 ' N ' ' HD2' ' A' ' 21' ' ' HIS . 73.2 Cg_endo -88.72 107.16 0.48 Allowed 'Trans proline' 0 N--CA 1.451 -1.011 0 C-N-CA 122.201 1.934 . . . . 15.0 111.356 177.843 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.598 ' HD1' ' H ' ' A' ' 28' ' ' PHE . 0.2 OUTLIER -97.57 124.15 41.73 Favored 'General case' 0 N--CA 1.441 -0.893 0 CA-C-N 114.319 -1.309 . . . . 15.0 108.814 177.024 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.561 ' HA ' ' O ' ' A' ' 18' ' ' GLU . 11.6 m-85 -89.8 118.49 29.43 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.289 -0.868 . . . . 15.0 109.515 -174.403 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.731 HG21 ' HB3' ' B' ' 117' ' ' TYR . 19.0 mt -104.6 136.59 37.45 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.874 0 CA-C-N 115.418 -0.81 . . . . 15.0 110.772 -177.46 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.495 ' HB3' ' HB ' ' A' ' 36' ' ' THR . 1.2 t70 -89.68 116.09 27.54 Favored 'General case' 0 C--N 1.308 -1.237 0 CA-C-N 115.277 -0.874 . . . . 15.0 108.696 171.158 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.443 ' NE2' ' HB ' ' A' ' 30' ' ' ILE . 12.6 m-70 -103.62 4.96 36.17 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.035 -0.984 . . . . 15.0 110.776 -175.539 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 15.9 m-80 -84.1 -30.43 25.97 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-O 121.558 0.694 . . . . 15.0 109.55 179.139 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.471 ' O ' ' HB3' ' A' ' 35' ' ' LYS . 84.3 m -138.85 -71.9 0.4 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.151 -0.931 . . . . 15.0 109.477 178.759 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.529 ' O ' ' HG3' ' A' ' 35' ' ' LYS . 19.4 ptpt 161.1 103.59 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.34 0 O-C-N 124.392 1.058 . . . . 15.0 110.21 173.833 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.495 ' HB ' ' HB3' ' A' ' 31' ' ' ASP . 1.3 m -150.36 150.89 32.04 Favored 'General case' 0 C--N 1.307 -1.241 0 CA-C-N 114.608 -1.178 . . . . 15.0 109.594 -178.771 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 1.014 ' HB ' ' HB2' ' B' ' 114' ' ' PRO . 1.0 OUTLIER -141.14 132.79 27.16 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-O 121.117 0.484 . . . . 15.0 111.684 178.675 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.53 ' OG1' ' HG3' ' A' ' 40' ' ' GLU . 9.3 t -150.02 150.16 31.38 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.941 -0.572 . . . . 15.0 110.388 -179.375 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 63.3 m95 -92.49 -12.26 32.45 Favored 'General case' 0 CA--C 1.514 -0.415 0 CA-C-O 120.904 0.383 . . . . 15.0 110.337 177.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.53 ' HG3' ' OG1' ' A' ' 38' ' ' THR . 1.0 OUTLIER -99.23 159.98 14.6 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-N 115.972 -0.558 . . . . 15.0 110.693 -172.723 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.676 ' HB3' ' HG3' ' A' ' 43' ' ' ARG . 4.7 m-20 -91.88 125.59 56.59 Favored Pre-proline 0 C--N 1.319 -0.731 0 CA-C-N 115.897 -0.592 . . . . 15.0 111.43 -171.002 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -60.99 -9.78 13.06 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 123.388 2.725 . . . . 15.0 112.289 176.032 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.676 ' HG3' ' HB3' ' A' ' 41' ' ' ASP . 13.9 mtt180 -60.99 -26.05 67.31 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 116.139 -0.482 . . . . 15.0 110.917 -178.545 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 71.2 mt -79.95 -10.04 59.74 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.591 0.71 . . . . 15.0 111.117 -178.205 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 57.1 mttp . . . . . 0 C--N 1.307 -1.243 0 CA-C-N 114.873 -1.058 . . . . 15.0 110.36 -173.888 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 15.1 pm0 . . . . . 0 N--CA 1.478 0.972 0 CA-C-O 121.306 0.574 . . . . 15.0 110.761 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 69.0 mt -96.82 118.9 64.57 Favored Pre-proline 0 C--N 1.326 -0.426 0 CA-C-N 116.233 -0.44 . . . . 15.0 110.296 179.648 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 114' ' ' PRO . . . . . 1.014 ' HB2' ' HB ' ' A' ' 37' ' ' THR . 2.7 Cg_exo -71.21 122.52 8.79 Favored 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 122.117 1.878 . . . . 15.0 112.13 177.083 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 115' ' ' PRO . . . . . 0.432 ' HA ' ' HD2' ' B' ' 116' ' ' PRO . 31.2 Cg_exo -63.02 125.69 16.4 Favored 'Trans proline' 0 N--CA 1.474 0.342 0 C-N-CA 122.881 2.387 . . . . 15.0 112.66 173.104 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 116' ' ' PRO . . . . . 0.432 ' HD2' ' HA ' ' B' ' 115' ' ' PRO . 7.2 Cg_endo -48.91 -179.64 0.01 OUTLIER 'Trans proline' 0 N--CA 1.416 -3.085 0 C-N-CA 124.747 3.631 . . . . 15.0 114.9 168.683 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 117' ' ' TYR . . . . . 0.731 ' HB3' HG21 ' A' ' 30' ' ' ILE . 25.5 p90 -72.98 127.2 31.84 Favored 'General case' 1 C--N 1.243 -4.052 1 CA-C-N 105.973 -5.103 . . . . 15.0 109.806 -179.394 . . . . . . . . 4 3 . 1 . 013 nuclear orig core ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 8.6 p -108.7 -3.61 10.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 N-CA-C 108.761 -0.829 . . . . 15.0 108.761 177.032 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 119' ' ' GLU . . . . . 0.417 ' OE2' ' HE1' ' A' ' 32' ' ' HIS . 1.8 mp0 . . . . . 0 C--N 1.327 -0.393 0 CA-C-N 114.681 -1.145 . . . . 15.0 110.191 177.365 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.1 mm? . . . . . 0 CA--C 1.52 -0.207 0 N-CA-C 109.756 -0.461 . . . . 15.0 109.756 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.727 ' HB2' ' CD1' ' A' ' 17' ' ' TRP . 10.7 Cg_exo -49.85 151.02 8.74 Favored 'Trans proline' 0 CA--C 1.496 -1.397 0 C-N-CA 123.629 2.886 . . . . 15.0 115.03 170.711 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 32.9 ttpt -60.42 124.3 19.93 Favored 'General case' 0 C--N 1.287 -2.141 0 CA-C-N 111.215 -2.721 . . . . 15.0 110.812 -172.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.45 -1.3 88.44 Favored Glycine 0 C--N 1.33 0.213 0 CA-C-N 116.046 -0.525 . . . . 15.0 112.659 -179.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.727 ' CD1' ' HB2' ' A' ' 14' ' ' PRO . 51.0 m95 -89.89 117.77 28.96 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.088 0.47 . . . . 15.0 110.145 177.342 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.48 ' O ' ' HA ' ' A' ' 29' ' ' PHE . 31.2 mm-40 -111.4 149.57 31.03 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.5 -0.773 . . . . 15.0 111.694 -176.133 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.522 HG21 ' CD2' ' A' ' 29' ' ' PHE . 16.2 t -115.75 108.66 25.8 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.897 0 CA-C-N 114.772 -1.104 . . . . 15.0 109.229 177.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.696 ' O ' ' HA ' ' A' ' 27' ' ' PRO . 1.0 OUTLIER -123.63 143.64 50.11 Favored 'General case' 0 C--N 1.316 -0.854 0 C-N-CA 120.406 -0.518 . . . . 15.0 110.165 178.484 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.673 ' HD2' ' N ' ' A' ' 27' ' ' PRO . 0.2 OUTLIER -101.95 110.23 22.16 Favored 'General case' 0 C--N 1.311 -1.069 0 N-CA-C 107.846 -1.168 . . . . 15.0 107.846 -178.824 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.436 ' HB1' ' OD1' ' A' ' 24' ' ' ASN . . . -62.52 162.13 22.21 Favored Pre-proline 0 C--N 1.323 -0.558 0 N-CA-C 110.046 -0.353 . . . . 15.0 110.046 -179.802 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -57.97 -18.61 36.25 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.6 2.2 . . . . 15.0 113.381 -176.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.436 ' OD1' ' HB1' ' A' ' 22' ' ' ALA . 33.7 p-10 -80.38 -10.03 59.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.559 0.695 . . . . 15.0 109.477 177.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 88.72 29.6 18.03 Favored Glycine 0 N--CA 1.44 -1.048 0 CA-C-N 114.892 -1.049 . . . . 15.0 112.802 178.099 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.7 mmp_? -115.76 131.03 23.89 Favored Pre-proline 0 C--N 1.321 -0.668 0 N-CA-C 109.405 -0.591 . . . . 15.0 109.405 174.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.696 ' HA ' ' O ' ' A' ' 20' ' ' ARG . 95.3 Cg_endo -88.93 116.54 0.8 Allowed 'Trans proline' 0 N--CA 1.457 -0.649 0 C-N-CA 122.119 1.879 . . . . 15.0 112.411 176.664 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.548 ' HD1' ' H ' ' A' ' 28' ' ' PHE . 0.2 OUTLIER -104.4 123.31 47.21 Favored 'General case' 0 N--CA 1.442 -0.857 0 CA-C-N 113.957 -1.474 . . . . 15.0 109.066 177.894 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.522 ' CD2' HG21 ' A' ' 19' ' ' VAL . 9.3 m-85 -89.74 120.42 30.98 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.591 -0.731 . . . . 15.0 109.628 -174.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.748 HG21 ' HB3' ' B' ' 117' ' ' TYR . 16.9 mt -106.17 136.69 39.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.977 -0.556 . . . . 15.0 111.747 -174.834 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.81 ' HB3' ' HB ' ' A' ' 36' ' ' THR . 0.4 OUTLIER -90.04 110.72 21.7 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-N 114.957 -1.02 . . . . 15.0 108.753 168.867 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.607 ' CE1' ' HB2' ' B' ' 117' ' ' TYR . 12.1 m-70 -93.98 0.27 55.94 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.008 -0.996 . . . . 15.0 110.879 -174.375 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 15.1 m-80 -80.91 -34.22 33.59 Favored 'General case' 0 CA--C 1.512 -0.514 0 N-CA-C 108.996 -0.742 . . . . 15.0 108.996 177.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.42 ' O ' ' HG2' ' A' ' 35' ' ' LYS . 18.0 m -124.67 -87.6 0.62 Allowed 'General case' 0 N--CA 1.443 -0.798 0 CA-C-N 115.507 -0.77 . . . . 15.0 110.841 177.246 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.42 ' HG2' ' O ' ' A' ' 34' ' ' THR . 39.3 mmtm -172.4 21.62 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 122.739 0.416 . . . . 15.0 110.59 -170.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.81 ' HB ' ' HB3' ' A' ' 31' ' ' ASP . 1.9 m -90.16 150.71 21.9 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.461 -0.496 . . . . 15.0 110.967 -168.017 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 1.013 ' HB ' ' HB2' ' B' ' 114' ' ' PRO . 7.7 p -146.58 133.34 20.01 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-N 116.101 -0.5 . . . . 15.0 110.934 -178.615 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.471 ' OG1' ' HG3' ' A' ' 40' ' ' GLU . 10.2 t -150.16 150.15 31.24 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.145 -0.48 . . . . 15.0 110.168 179.512 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 66.7 m95 -88.46 -11.37 46.12 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 121.257 0.551 . . . . 15.0 110.158 178.712 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.471 ' HG3' ' OG1' ' A' ' 38' ' ' THR . 0.4 OUTLIER -108.01 162.55 13.94 Favored 'General case' 0 N--CA 1.44 -0.965 0 CA-C-N 115.623 -0.717 . . . . 15.0 110.372 -172.918 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -97.84 128.56 33.65 Favored Pre-proline 0 C--N 1.319 -0.726 0 CA-C-O 121.326 0.584 . . . . 15.0 112.23 -169.251 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -63.83 -10.1 21.3 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 123.727 2.951 . . . . 15.0 112.438 179.708 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 77.1 mtp180 -76.95 -41.03 44.85 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.777 -0.647 . . . . 15.0 110.178 179.681 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.9 -16.37 55.46 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.263 -0.88 . . . . 15.0 110.975 178.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 37.9 ttmt . . . . . 0 C--O 1.249 1.055 0 O-C-N 125.763 1.914 . . . . 15.0 113.356 178.772 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 27.5 mm-40 . . . . . 0 N--CA 1.482 1.151 0 CA-C-O 120.868 0.366 . . . . 15.0 110.52 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 6.1 tp -108.53 114.91 58.54 Favored Pre-proline 0 C--N 1.317 -0.844 0 CA-C-N 116.038 -0.528 . . . . 15.0 111.022 -176.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 114' ' ' PRO . . . . . 1.013 ' HB2' ' HB ' ' A' ' 37' ' ' THR . 13.8 Cg_exo -68.69 126.12 13.61 Favored 'Trans proline' 0 CA--C 1.53 0.284 0 C-N-CA 122.188 1.925 . . . . 15.0 111.617 173.634 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 115' ' ' PRO . . . . . 0.43 ' HA ' ' HD2' ' B' ' 116' ' ' PRO . 52.2 Cg_exo -57.71 126.75 22.78 Favored 'Trans proline' 0 C--N 1.343 0.26 0 C-N-CA 122.851 2.367 . . . . 15.0 112.775 174.77 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 116' ' ' PRO . . . . . 0.43 ' HD2' ' HA ' ' B' ' 115' ' ' PRO . 6.7 Cg_endo -48.81 -179.65 0.01 OUTLIER 'Trans proline' 0 N--CA 1.415 -3.114 0 C-N-CA 125.016 3.811 . . . . 15.0 115.326 170.495 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 117' ' ' TYR . . . . . 0.748 ' HB3' HG21 ' A' ' 30' ' ' ILE . 2.7 p90 -83.62 133.63 34.83 Favored 'General case' 0 C--N 1.244 -3.993 1 CA-C-N 105.9 -5.137 . . . . 15.0 110.542 -177.168 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 29.1 m -117.97 -7.36 11.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 121.359 0.599 . . . . 15.0 109.559 176.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.237 0.404 0 CA-C-N 115.211 -0.904 . . . . 15.0 109.886 179.159 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.4 pp . . . . . 0 C--O 1.234 0.264 0 N-CA-C 108.534 -0.913 . . . . 15.0 108.534 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.632 ' HB2' ' CD1' ' A' ' 17' ' ' TRP . 44.8 Cg_exo -49.55 150.66 8.3 Favored 'Trans proline' 0 CA--C 1.498 -1.288 0 C-N-CA 123.577 2.852 . . . . 15.0 115.882 -176.77 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -75.62 129.68 37.55 Favored 'General case' 0 C--N 1.288 -2.086 0 CA-C-N 111.241 -2.709 . . . . 15.0 110.687 -172.048 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 88.63 -0.17 82.53 Favored Glycine 0 N--CA 1.451 -0.346 0 CA-C-N 115.662 -0.699 . . . . 15.0 111.423 -176.656 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.632 ' CD1' ' HB2' ' A' ' 14' ' ' PRO . 26.2 m95 -90.92 117.12 29.27 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-O 121.338 0.589 . . . . 15.0 110.043 175.775 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.61 ' O ' ' HA ' ' A' ' 29' ' ' PHE . 11.8 mm-40 -105.03 149.45 25.79 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-N 115.25 -0.886 . . . . 15.0 111.039 -177.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.529 HG23 ' CD2' ' A' ' 29' ' ' PHE . 8.9 t -125.57 90.01 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.297 0 CA-C-N 114.758 -1.11 . . . . 15.0 108.988 178.215 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.623 ' O ' ' HA ' ' A' ' 27' ' ' PRO . 21.9 ttm180 -102.46 144.83 30.41 Favored 'General case' 0 C--N 1.318 -0.775 0 C-N-CA 120.635 -0.426 . . . . 15.0 109.914 -177.402 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.626 ' HD2' ' N ' ' A' ' 27' ' ' PRO . 0.2 OUTLIER -99.53 109.59 22.11 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 108.234 -1.024 . . . . 15.0 108.234 179.074 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.415 ' HB3' ' OD1' ' A' ' 24' ' ' ASN . . . -63.12 164.75 12.5 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-N 116.507 -0.315 . . . . 15.0 110.321 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -59.06 -18.36 43.03 Favored 'Trans proline' 0 C--N 1.35 0.626 0 C-N-CA 122.522 2.148 . . . . 15.0 113.25 -178.46 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.415 ' OD1' ' HB3' ' A' ' 22' ' ' ALA . 32.3 p-10 -80.41 -10.23 59.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.664 0.745 . . . . 15.0 109.263 177.49 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.3 38.24 7.86 Favored Glycine 0 N--CA 1.438 -1.169 0 CA-C-N 114.793 -1.094 . . . . 15.0 113.077 177.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.507 ' C ' ' HD2' ' A' ' 21' ' ' HIS . 6.5 mmp_? -123.25 142.0 37.44 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 122.735 -0.273 . . . . 15.0 110.678 175.404 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.626 ' N ' ' HD2' ' A' ' 21' ' ' HIS . 95.3 Cg_endo -87.76 113.54 0.87 Allowed 'Trans proline' 0 C--O 1.233 0.268 0 C-N-CA 122.329 2.02 . . . . 15.0 112.2 172.869 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.405 ' CZ ' ' HD2' ' A' ' 20' ' ' ARG . 0.8 OUTLIER -104.35 123.21 47.0 Favored 'General case' 0 N--CA 1.441 -0.918 0 CA-C-N 114.001 -1.454 . . . . 15.0 108.435 174.253 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.61 ' HA ' ' O ' ' A' ' 18' ' ' GLU . 8.2 m-85 -89.59 124.22 34.36 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.556 -0.747 . . . . 15.0 109.472 -174.781 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.846 HG23 ' HB3' ' B' ' 117' ' ' TYR . 21.3 mt -107.58 133.31 52.72 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.044 0 CA-C-N 115.396 -0.82 . . . . 15.0 110.529 -179.631 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.653 ' O ' ' HA ' ' A' ' 35' ' ' LYS . 13.0 t70 -89.95 114.85 26.74 Favored 'General case' 0 C--N 1.304 -1.384 0 N-CA-C 108.088 -1.079 . . . . 15.0 108.088 169.69 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.533 ' CE1' ' HB2' ' B' ' 117' ' ' TYR . 12.0 m170 -95.56 4.24 53.34 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 116.038 -0.528 . . . . 15.0 110.549 -174.725 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 24.5 m-80 -89.85 -64.01 1.2 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.024 -0.535 . . . . 15.0 110.319 179.389 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.43 ' O ' ' HB3' ' A' ' 35' ' ' LYS . 23.4 m -100.51 -21.67 15.25 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.728 -0.669 . . . . 15.0 109.947 -178.084 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.69 ' HD3' ' HE1' ' B' ' 117' ' ' TYR . 37.4 ttpt 82.6 98.47 0.05 OUTLIER 'General case' 0 CA--C 1.514 -0.412 0 CA-C-N 114.367 -1.288 . . . . 15.0 112.146 178.346 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -150.68 149.97 30.5 Favored 'General case' 0 C--N 1.309 -1.159 0 CA-C-N 113.337 -1.756 . . . . 15.0 108.827 174.478 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.62 ' HB ' ' HG2' ' B' ' 114' ' ' PRO . 4.8 p -126.45 131.46 51.67 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.155 0.502 . . . . 15.0 111.781 178.838 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.516 ' OG1' ' HG3' ' A' ' 40' ' ' GLU . 4.9 t -147.96 150.14 33.47 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.756 -0.656 . . . . 15.0 110.185 -177.362 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 57.7 m95 -90.18 -4.87 56.99 Favored 'General case' 0 CA--C 1.512 -0.514 0 CA-C-O 120.885 0.374 . . . . 15.0 110.844 -177.345 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.516 ' HG3' ' OG1' ' A' ' 38' ' ' THR . 0.7 OUTLIER -105.43 156.99 17.67 Favored 'General case' 0 N--CA 1.438 -1.035 0 CA-C-N 115.979 -0.555 . . . . 15.0 110.957 -173.524 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.99 ' HB3' HD13 ' A' ' 44' ' ' LEU . 5.1 t0 -93.49 130.42 35.42 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-N 115.606 -0.725 . . . . 15.0 111.961 -161.829 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -75.21 -12.01 21.1 Favored 'Trans proline' 0 C--N 1.351 0.706 0 C-N-CA 122.655 2.237 . . . . 15.0 113.269 178.043 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 64.1 mtm180 -74.17 -19.1 60.67 Favored 'General case' 0 CA--C 1.511 -0.539 0 CA-C-O 122.209 1.004 . . . . 15.0 109.536 177.522 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.99 HD13 ' HB3' ' A' ' 41' ' ' ASP . 4.7 mp -77.66 -9.46 58.98 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-N 113.611 -1.631 . . . . 15.0 110.364 -179.512 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.5 mptp? . . . . . 0 C--O 1.25 1.08 0 CA-C-N 114.759 -1.11 . . . . 15.0 110.507 -178.641 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 . . . . . 0 N--CA 1.479 1.006 0 N-CA-C 110.299 -0.26 . . . . 15.0 110.299 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 15.5 pt -54.9 115.23 8.44 Favored Pre-proline 0 CA--C 1.539 0.527 0 O-C-N 123.615 0.572 . . . . 15.0 112.43 -177.533 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 114' ' ' PRO . . . . . 0.62 ' HG2' ' HB ' ' A' ' 37' ' ' THR . 9.3 Cg_endo -78.0 138.35 16.37 Favored 'Trans proline' 0 CA--C 1.534 0.478 0 C-N-CA 122.529 2.153 . . . . 15.0 112.675 178.841 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 115' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_exo -51.71 126.35 19.48 Favored 'Trans proline' 0 N--CA 1.477 0.537 0 C-N-CA 123.779 2.986 . . . . 15.0 114.243 174.249 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_endo -49.84 -179.47 0.02 OUTLIER 'Trans proline' 0 N--CA 1.419 -2.909 1 C-N-CA 125.331 4.021 . . . . 15.0 115.193 166.769 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 117' ' ' TYR . . . . . 0.846 ' HB3' HG23 ' A' ' 30' ' ' ILE . 14.4 p90 -77.62 143.83 37.93 Favored 'General case' 0 C--N 1.248 -3.813 1 CA-C-N 105.876 -5.147 . . . . 15.0 110.67 -178.674 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 51.0 t -106.33 -38.52 4.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 108.9 -0.778 . . . . 15.0 108.9 175.357 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.32 -0.712 0 CA-C-N 114.647 -1.16 . . . . 15.0 109.429 177.194 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.8 mm? . . . . . 0 C--O 1.234 0.244 0 CA-C-O 120.555 0.217 . . . . 15.0 110.601 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.705 ' HB2' ' CD1' ' A' ' 17' ' ' TRP . 13.0 Cg_exo -49.72 151.14 8.18 Favored 'Trans proline' 0 CA--C 1.496 -1.381 0 C-N-CA 124.193 3.262 . . . . 15.0 115.518 173.456 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.402 ' HE3' ' HB2' ' A' ' 15' ' ' LYS . 38.5 ttmt -63.01 124.81 22.05 Favored 'General case' 0 C--N 1.289 -2.065 0 CA-C-N 111.425 -2.625 . . . . 15.0 110.654 -173.362 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 87.25 -5.45 85.08 Favored Glycine 0 N--CA 1.451 -0.339 0 CA-C-N 116.042 -0.526 . . . . 15.0 112.146 -177.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.705 ' CD1' ' HB2' ' A' ' 14' ' ' PRO . 48.5 m95 -89.85 114.36 26.1 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.355 -0.609 . . . . 15.0 109.355 175.111 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.656 ' O ' ' HA ' ' A' ' 29' ' ' PHE . 5.7 mm-40 -106.99 144.88 32.98 Favored 'General case' 0 C--N 1.31 -1.141 0 CA-C-N 115.151 -0.931 . . . . 15.0 111.756 -174.589 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.494 HG21 ' CD2' ' A' ' 29' ' ' PHE . 10.2 t -118.93 96.0 4.08 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.176 0 CA-C-N 114.195 -1.366 . . . . 15.0 109.76 -177.477 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.582 ' O ' ' HA ' ' A' ' 27' ' ' PRO . 0.3 OUTLIER -113.07 130.28 56.22 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 120.615 -0.434 . . . . 15.0 110.211 -179.125 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.688 ' HD2' ' N ' ' A' ' 27' ' ' PRO . 0.2 OUTLIER -91.0 110.21 21.47 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.325 -0.991 . . . . 15.0 108.325 176.934 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.4 ' HB1' ' OD1' ' A' ' 24' ' ' ASN . . . -64.15 166.07 11.67 Favored Pre-proline 0 C--N 1.327 -0.401 0 O-C-N 123.215 0.322 . . . . 15.0 110.345 -179.199 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -60.33 -17.8 49.08 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.668 2.246 . . . . 15.0 113.107 177.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.4 ' OD1' ' HB1' ' A' ' 22' ' ' ALA . 30.3 p30 -80.05 -10.19 59.75 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.141 -0.688 . . . . 15.0 109.141 174.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 83.03 36.88 13.78 Favored Glycine 0 N--CA 1.439 -1.113 0 CA-C-N 114.972 -1.013 . . . . 15.0 112.546 178.428 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 8.7 mpt_? -114.3 129.62 24.71 Favored Pre-proline 0 C--N 1.319 -0.746 0 N-CA-C 109.659 -0.497 . . . . 15.0 109.659 173.207 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.688 ' N ' ' HD2' ' A' ' 21' ' ' HIS . 56.7 Cg_endo -88.91 99.94 0.37 Allowed 'Trans proline' 0 N--CA 1.447 -1.208 0 C-N-CA 121.802 1.668 . . . . 15.0 110.523 173.394 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 1.2 p90 -94.27 121.88 36.24 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-N 114.259 -1.337 . . . . 15.0 109.357 -178.47 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.656 ' HA ' ' O ' ' A' ' 18' ' ' GLU . 16.2 m-85 -89.79 117.33 28.55 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 115.572 -0.74 . . . . 15.0 109.768 -174.078 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.936 HG23 ' HB3' ' B' ' 117' ' ' TYR . 20.7 mt -102.17 133.64 45.15 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.996 0 CA-C-N 115.425 -0.807 . . . . 15.0 110.173 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.415 ' O ' ' HA ' ' A' ' 35' ' ' LYS . 16.4 t70 -89.97 110.04 21.03 Favored 'General case' 0 C--N 1.302 -1.495 0 N-CA-C 108.27 -1.011 . . . . 15.0 108.27 171.653 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.503 ' NE2' ' HB ' ' A' ' 30' ' ' ILE . 12.3 m170 -90.48 6.21 44.43 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.42 -0.809 . . . . 15.0 110.284 -174.592 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 29.5 m-80 -90.08 -71.67 0.6 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.723 -0.671 . . . . 15.0 110.417 176.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.5 m -98.7 -8.35 26.28 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.62 -0.718 . . . . 15.0 110.16 -173.609 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.415 ' HA ' ' O ' ' A' ' 31' ' ' ASP . 63.4 mttt 76.71 97.44 0.07 Allowed 'General case' 0 CA--C 1.514 -0.42 0 CA-C-N 114.584 -1.189 . . . . 15.0 111.271 179.285 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -150.22 150.56 31.73 Favored 'General case' 0 C--N 1.311 -1.1 0 CA-C-N 113.801 -1.545 . . . . 15.0 109.148 -175.493 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.969 ' HB ' ' HB2' ' B' ' 114' ' ' PRO . 10.7 p -132.73 129.92 39.32 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-O 120.968 0.413 . . . . 15.0 111.375 178.545 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 12.6 t -150.34 149.94 30.77 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 116.014 -0.539 . . . . 15.0 109.726 -176.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 25.2 m95 -97.22 -25.68 15.2 Favored 'General case' 0 CA--C 1.509 -0.603 0 CA-C-O 121.902 0.858 . . . . 15.0 109.711 177.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.3 pm0 -86.61 126.66 34.66 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 114.299 -1.319 . . . . 15.0 110.358 -173.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -53.79 128.43 54.21 Favored Pre-proline 0 C--N 1.317 -0.816 0 CA-C-N 114.504 -1.226 . . . . 15.0 111.851 -174.518 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -65.16 -10.2 24.8 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.793 2.328 . . . . 15.0 112.011 176.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 20.4 mmm180 -72.89 -9.83 59.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.86 -0.609 . . . . 15.0 111.293 179.546 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 88.7 mt -78.86 -9.96 59.65 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.607 0.718 . . . . 15.0 110.764 178.355 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.449 ' HA ' ' HD2' ' A' ' 45' ' ' LYS . 12.5 tptp . . . . . 0 C--N 1.31 -1.114 0 CA-C-N 114.874 -1.057 . . . . 15.0 110.705 179.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? . . . . . 0 N--CA 1.476 0.859 0 N-CA-C 109.771 -0.455 . . . . 15.0 109.771 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 70.7 mt 68.19 98.36 0.04 OUTLIER Pre-proline 0 N--CA 1.467 0.384 0 C-N-CA 123.274 0.63 . . . . 15.0 111.42 -178.457 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 114' ' ' PRO . . . . . 0.969 ' HB2' ' HB ' ' A' ' 37' ' ' THR . 3.1 Cg_exo -74.78 122.07 7.07 Favored 'Trans proline' 0 N--CA 1.461 -0.391 0 C-N-CA 122.62 2.213 . . . . 15.0 112.027 178.169 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 115' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -61.44 125.16 16.18 Favored 'Trans proline' 0 CA--C 1.53 0.304 0 C-N-CA 122.724 2.283 . . . . 15.0 113.114 174.256 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 8.2 Cg_endo -49.21 -179.55 0.01 OUTLIER 'Trans proline' 0 N--CA 1.415 -3.129 0 C-N-CA 125.15 3.9 . . . . 15.0 114.932 167.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 117' ' ' TYR . . . . . 0.936 ' HB3' HG23 ' A' ' 30' ' ' ILE . 2.4 p90 -96.96 137.06 36.62 Favored 'General case' 1 C--N 1.239 -4.214 1 CA-C-N 105.854 -5.157 . . . . 15.0 109.736 179.414 . . . . . . . . 4 3 . 1 . 016 nuclear orig core ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 11.0 p -118.11 -13.2 10.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-O 121.776 0.798 . . . . 15.0 108.949 173.182 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 119' ' ' GLU . . . . . 0.488 ' CD ' HH22 ' A' ' 20' ' ' ARG . 2.4 pm0 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 114.819 -1.082 . . . . 15.0 111.245 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.1 pp . . . . . 0 N--CA 1.454 -0.235 0 N-CA-C 109.992 -0.373 . . . . 15.0 109.992 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.757 ' HB2' ' CD1' ' A' ' 17' ' ' TRP . 92.4 Cg_exo -50.0 151.29 8.86 Favored 'Trans proline' 0 CA--C 1.496 -1.394 0 C-N-CA 124.146 3.231 . . . . 15.0 116.043 -176.58 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 50.7 mtpt -70.72 142.94 51.44 Favored 'General case' 0 C--N 1.287 -2.109 0 CA-C-N 111.054 -2.794 . . . . 15.0 110.106 -175.548 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 71.35 3.69 54.16 Favored Glycine 0 C--N 1.322 -0.2 0 CA-C-N 116.181 -0.463 . . . . 15.0 112.652 -178.423 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.757 ' CD1' ' HB2' ' A' ' 14' ' ' PRO . 15.5 m95 -90.03 113.01 24.62 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.313 0.577 . . . . 15.0 110.247 177.63 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.539 ' O ' ' HA ' ' A' ' 29' ' ' PHE . 2.4 mm-40 -108.86 149.03 29.72 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.377 -0.829 . . . . 15.0 111.558 -176.649 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.521 HG21 ' CD2' ' A' ' 29' ' ' PHE . 12.9 t -117.38 97.96 6.07 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.185 0 CA-C-N 114.745 -1.116 . . . . 15.0 109.176 179.741 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.728 ' O ' ' HA ' ' A' ' 27' ' ' PRO . 5.6 tpp180 -111.61 146.04 38.11 Favored 'General case' 0 C--N 1.316 -0.85 0 C-N-CA 120.764 -0.374 . . . . 15.0 110.062 -179.06 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.69 ' HD2' ' N ' ' A' ' 27' ' ' PRO . 0.0 OUTLIER -101.49 112.8 25.45 Favored 'General case' 0 C--N 1.314 -0.975 0 N-CA-C 108.117 -1.068 . . . . 15.0 108.117 178.937 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.428 ' HB2' ' OD1' ' A' ' 24' ' ' ASN . . . -65.14 159.5 64.71 Favored Pre-proline 0 C--N 1.321 -0.633 0 N-CA-C 109.479 -0.563 . . . . 15.0 109.479 177.335 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -59.87 -13.28 21.85 Favored 'Trans proline' 0 CA--C 1.532 0.405 0 C-N-CA 122.531 2.154 . . . . 15.0 113.391 -177.424 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.428 ' OD1' ' HB2' ' A' ' 22' ' ' ALA . 29.8 p-10 -80.51 -11.31 59.69 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 109.316 -0.624 . . . . 15.0 109.316 176.351 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 95.75 26.24 12.05 Favored Glycine 0 N--CA 1.44 -1.054 0 CA-C-N 115.345 -0.843 . . . . 15.0 113.142 175.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.469 ' C ' ' HD2' ' A' ' 21' ' ' HIS . 26.9 mmm180 -122.13 139.36 30.37 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 122.651 -0.323 . . . . 15.0 111.291 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.728 ' HA ' ' O ' ' A' ' 20' ' ' ARG . 98.5 Cg_endo -88.26 117.17 1.0 Allowed 'Trans proline' 0 N--CA 1.46 -0.489 0 C-N-CA 122.601 2.201 . . . . 15.0 112.442 175.448 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.448 ' HD1' ' H ' ' A' ' 28' ' ' PHE . 0.3 OUTLIER -105.35 124.0 48.81 Favored 'General case' 0 N--CA 1.436 -1.147 0 CA-C-N 113.546 -1.661 . . . . 15.0 108.099 174.804 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.539 ' HA ' ' O ' ' A' ' 18' ' ' GLU . 11.5 m-85 -89.7 114.09 25.69 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 109.203 -0.665 . . . . 15.0 109.203 -174.573 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.698 HG23 ' HB3' ' B' ' 117' ' ' TYR . 21.6 mt -94.86 127.93 46.45 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.164 0 CA-C-N 115.308 -0.86 . . . . 15.0 110.596 -176.876 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -90.09 104.32 16.9 Favored 'General case' 0 C--N 1.303 -1.416 0 CA-C-N 114.626 -1.17 . . . . 15.0 108.259 170.77 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.441 ' NE2' ' HB ' ' A' ' 30' ' ' ILE . 11.4 m170 -84.63 2.44 41.53 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.485 -0.78 . . . . 15.0 110.583 -173.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 12.2 m-80 -90.08 -57.68 2.77 Favored 'General case' 0 C--O 1.23 0.071 0 CA-C-O 121.135 0.493 . . . . 15.0 110.562 179.203 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.415 ' O ' ' HB2' ' A' ' 35' ' ' LYS . 0.6 OUTLIER -102.03 1.06 36.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.884 -0.598 . . . . 15.0 110.678 -175.827 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.762 ' HG3' ' HE1' ' B' ' 117' ' ' TYR . 0.8 OUTLIER 69.72 31.57 3.52 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 115.66 -0.7 . . . . 15.0 110.562 179.651 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -92.77 150.49 20.61 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.948 -0.569 . . . . 15.0 110.293 -178.838 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.828 ' HB ' ' HB2' ' B' ' 114' ' ' PRO . 14.0 p -131.98 135.95 46.94 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 120.994 0.426 . . . . 15.0 111.395 178.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.519 ' OG1' ' HG3' ' A' ' 40' ' ' GLU . 9.9 t -150.12 150.14 31.25 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.087 -0.506 . . . . 15.0 110.236 -178.259 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.444 ' CZ3' ' HB3' ' A' ' 28' ' ' PHE . 62.8 m95 -91.25 -16.22 27.95 Favored 'General case' 0 CA--C 1.508 -0.671 0 CA-C-O 121.073 0.463 . . . . 15.0 110.441 178.536 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.519 ' HG3' ' OG1' ' A' ' 38' ' ' THR . 1.2 pp20? -91.53 158.07 16.66 Favored 'General case' 0 N--CA 1.438 -1.035 0 CA-C-N 115.775 -0.648 . . . . 15.0 110.859 -172.507 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -87.77 130.69 45.9 Favored Pre-proline 0 C--N 1.318 -0.776 0 CA-C-N 115.289 -0.869 . . . . 15.0 111.353 -165.163 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -63.64 -9.9 20.1 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.954 2.436 . . . . 15.0 112.008 175.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 21.1 mmm-85 -60.56 -24.38 65.37 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.069 0.462 . . . . 15.0 110.301 177.132 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 91.0 mt -80.42 -9.45 59.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.697 -0.683 . . . . 15.0 110.696 178.708 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 42.4 mttp . . . . . 0 C--N 1.309 -1.153 0 CA-C-N 114.638 -1.164 . . . . 15.0 109.965 -176.861 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.479 1.009 0 CA-C-O 120.56 0.219 . . . . 15.0 110.746 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 48.3 mm 62.4 102.62 0.04 OUTLIER Pre-proline 0 N--CA 1.468 0.43 0 CA-C-N 115.718 -0.673 . . . . 15.0 112.525 176.639 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 114' ' ' PRO . . . . . 0.828 ' HB2' ' HB ' ' A' ' 37' ' ' THR . 11.8 Cg_exo -70.63 131.47 20.06 Favored 'Trans proline' 0 CA--C 1.53 0.278 0 C-N-CA 123.004 2.47 . . . . 15.0 111.51 173.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 115' ' ' PRO . . . . . 0.444 ' HA ' ' HD2' ' B' ' 116' ' ' PRO . 50.6 Cg_exo -58.09 129.32 32.52 Favored 'Trans proline' 0 CA--C 1.531 0.343 0 C-N-CA 122.806 2.338 . . . . 15.0 112.988 173.877 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 116' ' ' PRO . . . . . 0.444 ' HD2' ' HA ' ' B' ' 115' ' ' PRO . 7.0 Cg_endo -49.15 -179.46 0.01 OUTLIER 'Trans proline' 0 N--CA 1.414 -3.162 0 C-N-CA 125.005 3.804 . . . . 15.0 114.579 167.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 117' ' ' TYR . . . . . 0.762 ' HE1' ' HG3' ' A' ' 35' ' ' LYS . 23.1 p90 -71.93 119.8 16.62 Favored 'General case' 1 C--N 1.24 -4.175 1 CA-C-N 106.002 -5.09 . . . . 15.0 110.274 -179.217 . . . . . . . . 4 3 . 1 . 017 nuclear orig core ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 11.2 p -90.3 -8.29 10.67 Favored 'Isoleucine or valine' 0 C--O 1.234 0.273 0 CA-C-O 121.735 0.779 . . . . 15.0 109.595 178.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 . . . . . 0 C--N 1.323 -0.557 0 CA-C-N 114.828 -1.078 . . . . 15.0 110.268 -179.367 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.704 HD11 ' HG2' ' A' ' 42' ' ' PRO . 3.2 mm? . . . . . 0 C--O 1.233 0.192 0 N-CA-C 109.966 -0.383 . . . . 15.0 109.966 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.691 ' HB2' ' CD1' ' A' ' 17' ' ' TRP . 16.2 Cg_exo -49.26 150.9 7.05 Favored 'Trans proline' 0 CA--C 1.491 -1.635 0 C-N-CA 123.995 3.13 . . . . 15.0 115.434 176.861 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.78 135.7 55.24 Favored 'General case' 0 C--N 1.285 -2.208 0 CA-C-N 111.74 -2.482 . . . . 15.0 110.233 -172.413 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 79.14 -8.67 44.15 Favored Glycine 0 CA--C 1.522 0.495 0 CA-C-N 115.311 -0.859 . . . . 15.0 112.685 -173.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.691 ' CD1' ' HB2' ' A' ' 14' ' ' PRO . 53.5 m95 -89.87 115.96 27.58 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.283 -0.636 . . . . 15.0 109.283 175.03 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.52 ' O ' ' HA ' ' A' ' 29' ' ' PHE . 33.7 mm-40 -114.15 145.79 41.18 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-O 121.62 0.724 . . . . 15.0 112.234 -176.551 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.447 HG21 ' CD2' ' A' ' 29' ' ' PHE . 8.2 t -109.68 94.6 3.21 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.055 0 CA-C-N 114.231 -1.35 . . . . 15.0 109.72 -179.644 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.652 ' O ' ' HA ' ' A' ' 27' ' ' PRO . 13.5 ttm180 -107.76 146.33 32.31 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.161 -0.681 . . . . 15.0 109.161 177.299 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.723 ' HD2' ' N ' ' A' ' 27' ' ' PRO . 1.0 OUTLIER -111.7 116.5 30.85 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.852 -0.795 . . . . 15.0 108.852 -173.765 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.07 165.29 13.78 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 116.308 -0.406 . . . . 15.0 110.957 -178.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_exo -60.33 -22.96 73.0 Favored 'Trans proline' 0 C--N 1.35 0.611 0 C-N-CA 122.758 2.305 . . . . 15.0 113.291 -178.674 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 28.2 p30 -80.21 -10.15 59.75 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.781 0.8 . . . . 15.0 109.419 176.655 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 83.82 46.9 5.81 Favored Glycine 0 N--CA 1.433 -1.509 0 CA-C-N 114.553 -1.203 . . . . 15.0 112.294 -179.429 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 33.1 mmt180 -120.01 127.3 26.44 Favored Pre-proline 0 C--N 1.322 -0.627 0 N-CA-C 109.277 -0.638 . . . . 15.0 109.277 171.402 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.723 ' N ' ' HD2' ' A' ' 21' ' ' HIS . 97.9 Cg_endo -88.38 106.62 0.51 Allowed 'Trans proline' 0 N--CA 1.451 -0.977 0 C-N-CA 121.768 1.645 . . . . 15.0 111.913 176.799 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.584 ' CD2' ' HD2' ' B' ' 115' ' ' PRO . 0.3 OUTLIER -92.34 122.61 34.96 Favored 'General case' 0 N--CA 1.438 -1.028 0 CA-C-N 113.65 -1.614 . . . . 15.0 108.471 176.877 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.52 ' HA ' ' O ' ' A' ' 18' ' ' GLU . 39.1 m-85 -89.7 113.46 24.97 Favored 'General case' 0 CA--C 1.504 -0.813 0 N-CA-C 109.141 -0.689 . . . . 15.0 109.141 -174.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.438 HG21 ' HB3' ' B' ' 117' ' ' TYR . 36.2 mt -93.59 126.2 46.05 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.14 0 CA-C-N 114.856 -1.066 . . . . 15.0 110.164 -178.068 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -90.07 105.83 18.07 Favored 'General case' 0 C--N 1.304 -1.409 0 N-CA-C 108.174 -1.047 . . . . 15.0 108.174 170.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 13.7 m-70 -83.9 0.04 49.37 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 114.957 -1.02 . . . . 15.0 110.153 -173.711 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 23.4 m-80 -90.1 -72.83 0.55 Allowed 'General case' 0 C--O 1.233 0.184 0 CA-C-N 115.899 -0.591 . . . . 15.0 110.749 179.658 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.0 m -94.67 -2.52 51.1 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.13 0.49 . . . . 15.0 110.648 -173.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.8 mppt? 67.82 83.19 0.17 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.381 -0.827 . . . . 15.0 110.516 -176.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -136.29 150.26 48.82 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 114.553 -1.203 . . . . 15.0 108.639 179.366 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 1.018 ' HB ' ' HB2' ' B' ' 114' ' ' PRO . 4.3 p -140.04 127.03 20.83 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 120.94 0.4 . . . . 15.0 111.618 -176.237 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 9.2 t -150.07 150.17 31.34 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.081 -0.509 . . . . 15.0 109.973 -178.475 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 60.9 m95 -89.1 -11.74 43.14 Favored 'General case' 0 CA--C 1.514 -0.41 0 CA-C-O 120.902 0.382 . . . . 15.0 110.585 -178.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -104.8 160.09 15.27 Favored 'General case' 0 N--CA 1.441 -0.885 0 CA-C-O 121.456 0.646 . . . . 15.0 111.596 -171.055 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.715 ' HB3' ' HG3' ' A' ' 43' ' ' ARG . 6.4 m-20 -83.6 128.2 64.82 Favored Pre-proline 0 C--N 1.318 -0.767 0 CA-C-N 114.825 -1.079 . . . . 15.0 112.41 -167.064 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.704 ' HG2' HD11 ' A' ' 13' ' ' LEU . 34.9 Cg_endo -65.37 -9.74 23.37 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 123.128 2.552 . . . . 15.0 112.223 175.601 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.715 ' HG3' ' HB3' ' A' ' 41' ' ' ASP . 15.8 mtt180 -63.2 -14.68 51.91 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 116.207 -0.451 . . . . 15.0 110.514 -179.101 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 60.0 mt -79.81 -9.73 59.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.72 0.772 . . . . 15.0 111.255 -176.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 22.7 tptp . . . . . 0 C--N 1.308 -1.198 0 CA-C-N 114.892 -1.049 . . . . 15.0 110.082 -179.123 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 93.2 mt-30 . . . . . 0 N--CA 1.477 0.894 0 CA-C-O 120.788 0.328 . . . . 15.0 110.735 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 43.1 mm -117.61 113.04 38.59 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 116.044 -0.525 . . . . 15.0 109.604 178.126 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 114' ' ' PRO . . . . . 1.018 ' HB2' ' HB ' ' A' ' 37' ' ' THR . 3.0 Cg_exo -70.46 122.14 8.64 Favored 'Trans proline' 0 N--CA 1.458 -0.569 0 C-N-CA 121.956 1.771 . . . . 15.0 111.727 177.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 115' ' ' PRO . . . . . 0.584 ' HD2' ' CD2' ' A' ' 28' ' ' PHE . 97.1 Cg_endo -82.4 128.88 5.65 Favored 'Trans proline' 0 N--CA 1.462 -0.339 0 C-N-CA 122.648 2.232 . . . . 15.0 113.007 178.03 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 116' ' ' PRO . . . . . 0.46 ' HD2' ' HA ' ' B' ' 115' ' ' PRO . 6.4 Cg_endo -48.92 -179.71 0.01 OUTLIER 'Trans proline' 0 N--CA 1.414 -3.153 0 C-N-CA 125.054 3.836 . . . . 15.0 115.284 172.601 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 117' ' ' TYR . . . . . 0.438 ' HB3' HG21 ' A' ' 30' ' ' ILE . 31.4 p90 -63.82 135.73 56.84 Favored 'General case' 0 C--N 1.246 -3.922 1 CA-C-N 105.706 -5.224 . . . . 15.0 110.797 -176.056 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 42.6 t -100.29 -24.53 4.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 108.923 -0.769 . . . . 15.0 108.923 177.085 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 18.5 mp0 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 114.588 -1.187 . . . . 15.0 111.03 -176.479 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.9 mp . . . . . 0 C--O 1.235 0.302 0 CA-C-O 121.055 0.455 . . . . 15.0 111.696 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.696 ' HB2' ' CD1' ' A' ' 17' ' ' TRP . 13.4 Cg_exo -49.57 151.24 7.61 Favored 'Trans proline' 0 CA--C 1.495 -1.472 0 C-N-CA 124.564 3.51 . . . . 15.0 115.169 169.112 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.1 mptt -63.38 123.61 19.16 Favored 'General case' 0 C--N 1.287 -2.135 0 CA-C-N 111.522 -2.581 . . . . 15.0 110.732 -173.424 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 87.89 -3.85 85.82 Favored Glycine 0 C--O 1.227 -0.301 0 CA-C-N 115.387 -0.824 . . . . 15.0 112.578 -178.427 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.696 ' CD1' ' HB2' ' A' ' 14' ' ' PRO . 40.9 m95 -89.89 113.62 25.27 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.137 0.494 . . . . 15.0 109.873 176.711 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.636 ' O ' ' HA ' ' A' ' 29' ' ' PHE . 12.7 mm-40 -113.26 148.68 35.09 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.421 -0.809 . . . . 15.0 112.137 -175.208 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.53 HG22 ' CD2' ' A' ' 29' ' ' PHE . 5.6 t -118.35 109.38 26.92 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.061 0 CA-C-N 114.583 -1.19 . . . . 15.0 109.8 178.644 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.733 ' O ' ' HA ' ' A' ' 27' ' ' PRO . 33.2 ttm180 -127.15 149.96 49.72 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.964 -0.384 . . . . 15.0 109.964 176.5 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.717 ' HD2' ' N ' ' A' ' 27' ' ' PRO . 0.1 OUTLIER -103.09 110.67 22.7 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 108.929 -0.767 . . . . 15.0 108.929 -175.618 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.01 159.06 58.8 Favored Pre-proline 0 C--N 1.321 -0.641 0 N-CA-C 110.001 -0.37 . . . . 15.0 110.001 177.305 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -56.45 -15.84 16.56 Favored 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 123.032 2.488 . . . . 15.0 114.191 -176.342 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 29.8 p-10 -80.18 -14.87 58.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.344 0.592 . . . . 15.0 109.734 177.535 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 97.52 29.37 7.87 Favored Glycine 0 N--CA 1.439 -1.163 0 CA-C-N 115.265 -0.88 . . . . 15.0 112.67 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.479 ' C ' ' HD2' ' A' ' 21' ' ' HIS . 23.8 mmt180 -119.31 134.16 23.75 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 122.62 -0.341 . . . . 15.0 111.361 177.718 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.733 ' HA ' ' O ' ' A' ' 20' ' ' ARG . 82.0 Cg_endo -88.55 111.27 0.62 Allowed 'Trans proline' 0 N--CA 1.456 -0.686 0 C-N-CA 122.56 2.173 . . . . 15.0 111.806 175.302 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.503 ' HD1' ' H ' ' A' ' 28' ' ' PHE . 0.4 OUTLIER -96.05 122.26 38.69 Favored 'General case' 0 N--CA 1.437 -1.075 0 CA-C-N 113.931 -1.486 . . . . 15.0 108.784 177.295 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.636 ' HA ' ' O ' ' A' ' 18' ' ' GLU . 15.6 m-85 -89.62 109.39 20.35 Favored 'General case' 0 N--CA 1.44 -0.932 0 N-CA-C 108.674 -0.862 . . . . 15.0 108.674 -176.277 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.712 HG21 ' HB3' ' B' ' 117' ' ' TYR . 32.5 mt -93.82 130.26 43.02 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.083 0 CA-C-N 115.185 -0.916 . . . . 15.0 110.314 -176.369 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -90.02 102.69 15.4 Favored 'General case' 0 C--N 1.306 -1.294 0 N-CA-C 108.262 -1.014 . . . . 15.0 108.262 170.318 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.492 ' NE2' ' HB ' ' A' ' 30' ' ' ILE . 12.0 m170 -80.84 2.99 24.08 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.1 -0.955 . . . . 15.0 110.703 -173.077 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 30.5 m-80 -89.7 -61.77 1.62 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.231 -0.44 . . . . 15.0 110.249 177.061 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.2 m -94.26 3.66 54.93 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-N 116.042 -0.526 . . . . 15.0 111.07 -175.331 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.566 ' HG3' ' CE1' ' B' ' 117' ' ' TYR . 12.8 mptt 67.61 25.5 8.26 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 115.928 -0.578 . . . . 15.0 111.065 176.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 59.9 p -103.6 150.08 24.3 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.195 -0.457 . . . . 15.0 110.596 -175.508 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.504 ' HB ' ' HB2' ' B' ' 114' ' ' PRO . 1.2 p -127.57 148.66 50.35 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 112.355 0.502 . . . . 15.0 112.355 -176.5 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 9.0 t -150.21 150.13 31.15 Favored 'General case' 0 C--O 1.222 -0.368 0 CA-C-N 115.857 -0.611 . . . . 15.0 109.681 177.278 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.421 ' CZ2' ' HG3' ' B' ' 112' ' ' GLN . 81.8 m95 -88.55 -13.85 39.09 Favored 'General case' 0 CA--C 1.508 -0.655 0 CA-C-O 121.039 0.447 . . . . 15.0 110.547 178.826 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -104.49 157.42 17.17 Favored 'General case' 0 N--CA 1.436 -1.138 0 CA-C-O 121.458 0.647 . . . . 15.0 111.202 -169.697 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -79.49 136.18 56.29 Favored Pre-proline 0 C--N 1.317 -0.828 0 CA-C-N 115.01 -0.996 . . . . 15.0 111.809 -166.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_endo -64.97 -9.83 23.02 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.493 2.129 . . . . 15.0 111.857 175.452 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.451 ' HD3' ' HA ' ' A' ' 43' ' ' ARG . 29.4 mmt180 -80.37 -9.57 59.75 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.644 -0.707 . . . . 15.0 110.98 177.67 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 88.9 mt -74.28 -9.89 59.05 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-O 121.679 0.752 . . . . 15.0 110.617 176.71 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 9.2 mptt . . . . . 0 C--N 1.311 -1.073 0 CA-C-N 114.66 -1.154 . . . . 15.0 109.592 176.195 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 112' ' ' GLN . . . . . 0.421 ' HG3' ' CZ2' ' A' ' 39' ' ' TRP . 27.6 tp60 . . . . . 0 N--CA 1.477 0.882 0 N-CA-C 109.808 -0.441 . . . . 15.0 109.808 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 113' ' ' ILE . . . . . 0.772 ' H ' HD12 ' B' ' 113' ' ' ILE . 0.2 OUTLIER -76.76 128.49 81.6 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-N 116.265 -0.425 . . . . 15.0 111.001 179.521 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 114' ' ' PRO . . . . . 0.504 ' HB2' ' HB ' ' A' ' 37' ' ' THR . 57.4 Cg_endo -84.02 122.89 3.03 Favored 'Trans proline' 0 N--CA 1.458 -0.595 0 C-N-CA 122.753 2.302 . . . . 15.0 112.518 175.651 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 115' ' ' PRO . . . . . 0.408 ' HA ' ' HD2' ' B' ' 116' ' ' PRO . 51.5 Cg_exo -58.96 126.41 21.0 Favored 'Trans proline' 0 N--CA 1.475 0.422 0 C-N-CA 123.191 2.594 . . . . 15.0 113.555 175.464 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 116' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' B' ' 115' ' ' PRO . 7.9 Cg_endo -49.47 -179.41 0.01 OUTLIER 'Trans proline' 0 N--CA 1.413 -3.222 0 C-N-CA 124.868 3.712 . . . . 15.0 114.602 165.483 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 117' ' ' TYR . . . . . 0.712 ' HB3' HG21 ' A' ' 30' ' ' ILE . 11.2 p90 -74.48 119.89 19.29 Favored 'General case' 1 C--N 1.242 -4.092 1 CA-C-N 106.153 -5.021 . . . . 15.0 109.951 179.927 . . . . . . . . 4 3 . 1 . 019 nuclear orig core ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 8.9 t -90.5 -0.17 8.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 122.024 0.916 . . . . 15.0 109.14 178.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 119' ' ' GLU . . . . . 0.457 ' CD ' HH22 ' A' ' 20' ' ' ARG . 5.3 mm-40 . . . . . 0 C--N 1.324 -0.523 0 CA-C-N 114.619 -1.173 . . . . 15.0 110.57 -177.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.2 mp . . . . . 0 C--O 1.236 0.344 0 N-CA-C 110.464 -0.198 . . . . 15.0 110.464 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.702 ' HB2' ' CD1' ' A' ' 17' ' ' TRP . 7.3 Cg_exo -49.54 151.19 7.6 Favored 'Trans proline' 0 CA--C 1.492 -1.599 0 C-N-CA 123.939 3.093 . . . . 15.0 114.943 171.465 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 19.9 pttm -57.06 133.72 55.21 Favored 'General case' 0 C--N 1.289 -2.045 0 CA-C-N 111.489 -2.596 . . . . 15.0 110.941 -172.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 74.22 1.0 59.17 Favored Glycine 0 C--N 1.319 -0.41 0 CA-C-N 115.571 -0.74 . . . . 15.0 113.644 -179.717 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.702 ' CD1' ' HB2' ' A' ' 14' ' ' PRO . 49.1 m95 -89.89 114.58 26.39 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 117.571 0.686 . . . . 15.0 110.236 178.062 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.538 ' O ' ' HA ' ' A' ' 29' ' ' PHE . 2.8 mm-40 -113.86 149.98 34.27 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.275 -0.875 . . . . 15.0 112.096 -175.114 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.48 HG21 ' CD2' ' A' ' 29' ' ' PHE . 12.7 t -118.02 112.74 39.75 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.941 0 CA-C-N 114.489 -1.232 . . . . 15.0 109.574 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.685 ' O ' ' HA ' ' A' ' 27' ' ' PRO . 8.8 ttm180 -128.76 140.41 51.74 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 120.794 -0.362 . . . . 15.0 110.202 177.881 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.729 ' HD2' ' N ' ' A' ' 27' ' ' PRO . 0.0 OUTLIER -89.97 114.84 26.74 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.324 -0.621 . . . . 15.0 109.324 175.918 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.47 163.66 56.73 Favored Pre-proline 0 C--N 1.322 -0.595 0 N-CA-C 109.462 -0.57 . . . . 15.0 109.462 175.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_exo -57.63 -13.1 13.0 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.766 2.311 . . . . 15.0 113.598 -178.317 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 35.0 p-10 -80.56 -18.16 49.21 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-O 121.198 0.523 . . . . 15.0 110.041 -179.413 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 104.33 10.92 32.72 Favored Glycine 0 N--CA 1.441 -0.996 0 C-N-CA 120.75 -0.738 . . . . 15.0 112.872 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.49 ' C ' ' HD2' ' A' ' 21' ' ' HIS . 10.7 mmm180 -111.5 141.56 24.78 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-O 120.84 0.353 . . . . 15.0 111.497 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.729 ' N ' ' HD2' ' A' ' 21' ' ' HIS . 81.3 Cg_endo -88.66 120.11 1.15 Allowed 'Trans proline' 0 N--CA 1.454 -0.798 0 C-N-CA 122.544 2.162 . . . . 15.0 111.585 171.154 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.446 ' HD1' ' H ' ' A' ' 28' ' ' PHE . 0.3 OUTLIER -105.38 122.88 46.89 Favored 'General case' 0 C--N 1.313 -0.998 0 CA-C-N 114.195 -1.366 . . . . 15.0 108.383 176.284 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.538 ' HA ' ' O ' ' A' ' 18' ' ' GLU . 4.0 m-85 -89.86 118.68 29.62 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.606 -0.725 . . . . 15.0 109.386 -174.463 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.678 HG22 ' HB3' ' B' ' 117' ' ' TYR . 22.0 mt -102.9 133.91 45.39 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.905 0 CA-C-N 115.396 -0.82 . . . . 15.0 111.02 -176.052 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -89.92 109.85 20.84 Favored 'General case' 0 C--N 1.31 -1.116 0 N-CA-C 108.002 -1.111 . . . . 15.0 108.002 169.238 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.462 ' NE2' ' HB ' ' A' ' 30' ' ' ILE . 11.9 m170 -89.27 6.57 39.72 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.826 -0.625 . . . . 15.0 110.706 -174.302 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 28.2 m-80 -90.06 -61.0 1.78 Allowed 'General case' 0 N--CA 1.462 0.173 0 CA-C-O 120.998 0.427 . . . . 15.0 110.853 179.433 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 21.5 m -107.13 -8.55 16.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.506 0.669 . . . . 15.0 110.332 -176.216 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.661 ' HB3' ' HZ3' ' A' ' 35' ' ' LYS . 0.0 OUTLIER 72.46 82.84 0.13 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 114.864 -1.062 . . . . 15.0 110.446 179.422 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 7.6 p -141.87 150.11 41.13 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.789 -1.096 . . . . 15.0 108.622 173.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.923 ' HB ' ' HB2' ' B' ' 114' ' ' PRO . 3.5 p -130.55 138.37 50.15 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.171 0.51 . . . . 15.0 112.359 -173.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 7.0 t -150.11 147.0 27.24 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 115.672 -0.695 . . . . 15.0 109.228 179.111 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 31.4 m95 -88.76 -28.69 20.33 Favored 'General case' 0 CA--C 1.508 -0.656 0 CA-C-O 121.73 0.776 . . . . 15.0 110.241 -179.249 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.4 ' CD ' ' H ' ' A' ' 40' ' ' GLU . 2.3 pm0 -84.64 126.83 33.7 Favored 'General case' 0 C--N 1.31 -1.122 0 CA-C-N 114.162 -1.381 . . . . 15.0 110.701 -173.487 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -52.03 133.27 39.93 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 114.234 -1.348 . . . . 15.0 111.531 -174.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_endo -63.93 -11.52 27.5 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.795 2.33 . . . . 15.0 112.69 179.506 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 39.1 mmt180 -80.02 -9.91 59.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.317 -0.401 . . . . 15.0 110.91 178.161 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 90.6 mt -76.68 -9.73 58.87 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.412 0.625 . . . . 15.0 111.54 -178.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 56.3 tttm . . . . . 0 C--N 1.309 -1.173 0 CA-C-N 115.245 -0.889 . . . . 15.0 110.147 -178.383 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 10.6 tp60 . . . . . 0 N--CA 1.478 0.938 0 N-CA-C 109.711 -0.477 . . . . 15.0 109.711 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 70.2 mt -81.19 112.13 30.36 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 116.618 -0.265 . . . . 15.0 110.471 178.443 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 114' ' ' PRO . . . . . 0.923 ' HB2' ' HB ' ' A' ' 37' ' ' THR . 6.3 Cg_exo -72.13 129.48 15.18 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 122.196 1.931 . . . . 15.0 112.321 177.481 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 115' ' ' PRO . . . . . 0.443 ' HA ' ' HD2' ' B' ' 116' ' ' PRO . 53.2 Cg_exo -57.36 130.21 38.05 Favored 'Trans proline' 0 CA--C 1.53 0.306 0 C-N-CA 122.907 2.405 . . . . 15.0 113.046 173.301 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 116' ' ' PRO . . . . . 0.443 ' HD2' ' HA ' ' B' ' 115' ' ' PRO . 6.6 Cg_endo -48.92 -179.47 0.01 OUTLIER 'Trans proline' 0 N--CA 1.415 -3.137 0 C-N-CA 124.764 3.643 . . . . 15.0 114.835 167.6 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 117' ' ' TYR . . . . . 0.678 ' HB3' HG22 ' A' ' 30' ' ' ILE . 30.8 p90 -71.32 148.37 47.15 Favored 'General case' 0 C--N 1.244 -3.987 1 CA-C-N 105.997 -5.092 . . . . 15.0 110.558 -177.66 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 39.2 t -110.74 -28.18 2.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-O 121.594 0.711 . . . . 15.0 109.289 175.287 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 . . . . . 0 C--N 1.326 -0.428 0 CA-C-N 114.935 -1.029 . . . . 15.0 110.359 -179.664 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 52.5 p90 . . . . . 0 N--CA 1.485 1.276 0 CA-C-O 121.006 0.431 . . . . 15.0 111.062 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.906 HD11 HG23 ' A' ' 19' ' ' VAL . 81.9 mt -108.51 150.64 40.93 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 116.019 -0.537 . . . . 15.0 111.413 -177.09 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.735 ' HB2' ' CD1' ' A' ' 17' ' ' TRP . 1.3 Cg_exo -49.57 151.12 7.77 Favored 'Trans proline' 0 CA--C 1.495 -1.473 0 C-N-CA 123.675 2.917 . . . . 15.0 113.988 160.023 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -61.04 121.17 11.77 Favored 'General case' 0 C--N 1.284 -2.272 0 CA-C-N 111.582 -2.554 . . . . 15.0 110.495 -171.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.18 10.94 77.03 Favored Glycine 0 N--CA 1.452 -0.264 0 CA-C-N 115.82 -0.627 . . . . 15.0 112.788 179.436 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.735 ' CD1' ' HB2' ' A' ' 14' ' ' PRO . 37.0 m95 -96.24 139.98 31.59 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.212 0.529 . . . . 15.0 111.111 178.29 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.643 ' O ' ' HA ' ' A' ' 29' ' ' PHE . 0.9 OUTLIER -122.31 150.28 42.58 Favored 'General case' 0 CA--C 1.504 -0.794 0 CA-C-N 115.332 -0.849 . . . . 15.0 111.643 -178.233 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.906 HG23 HD11 ' A' ' 13' ' ' LEU . 33.9 t -122.72 90.09 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.487 0 CA-C-N 113.881 -1.508 . . . . 15.0 108.05 170.017 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.731 ' O ' ' HA ' ' A' ' 27' ' ' PRO . 19.9 ttm180 -115.01 141.3 48.19 Favored 'General case' 0 C--N 1.319 -0.735 0 C-N-CA 120.603 -0.439 . . . . 15.0 110.326 -176.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.693 ' HD2' ' N ' ' A' ' 27' ' ' PRO . 0.1 OUTLIER -98.0 113.54 25.42 Favored 'General case' 0 C--N 1.315 -0.907 0 N-CA-C 108.512 -0.922 . . . . 15.0 108.512 -178.582 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.409 ' HB1' ' OD1' ' A' ' 24' ' ' ASN . . . -66.95 162.24 55.1 Favored Pre-proline 0 C--N 1.322 -0.621 0 N-CA-C 109.465 -0.568 . . . . 15.0 109.465 177.129 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -59.28 -11.42 13.22 Favored 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 122.727 2.285 . . . . 15.0 113.368 -178.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.409 ' OD1' ' HB1' ' A' ' 22' ' ' ALA . 16.6 p30 -80.54 -11.42 59.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.431 0.634 . . . . 15.0 109.847 175.705 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 88.36 28.06 23.49 Favored Glycine 0 N--CA 1.438 -1.176 0 CA-C-N 115.177 -0.92 . . . . 15.0 112.658 179.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -121.06 133.86 24.25 Favored Pre-proline 0 C--N 1.321 -0.638 0 O-C-N 122.669 -0.312 . . . . 15.0 110.377 178.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.731 ' HA ' ' O ' ' A' ' 20' ' ' ARG . 83.3 Cg_endo -88.81 112.64 0.63 Allowed 'Trans proline' 0 N--CA 1.456 -0.68 0 C-N-CA 122.295 1.997 . . . . 15.0 112.154 176.559 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.5 ' HD1' ' H ' ' A' ' 28' ' ' PHE . 0.5 OUTLIER -100.36 125.21 46.58 Favored 'General case' 0 N--CA 1.442 -0.871 0 CA-C-N 113.795 -1.548 . . . . 15.0 108.932 177.451 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.643 ' HA ' ' O ' ' A' ' 18' ' ' GLU . 9.0 m-85 -89.94 115.22 27.08 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.828 -0.624 . . . . 15.0 109.858 -174.609 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.906 HG22 ' HB3' ' B' ' 117' ' ' TYR . 18.7 mt -97.59 137.72 24.43 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-N 115.71 -0.677 . . . . 15.0 111.075 -177.159 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.41 ' HB3' ' OG1' ' A' ' 36' ' ' THR . 8.4 t70 -100.52 106.22 17.73 Favored 'General case' 0 C--N 1.311 -1.079 0 N-CA-C 108.494 -0.928 . . . . 15.0 108.494 168.345 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.401 ' CE1' ' HB2' ' B' ' 117' ' ' TYR . 12.1 m170 -81.68 0.99 36.24 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 114.81 -1.086 . . . . 15.0 111.181 -171.047 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 26.5 m-80 -90.12 -60.18 2.0 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.973 -0.558 . . . . 15.0 110.787 -179.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.8 m -101.29 16.05 26.81 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.342 -0.39 . . . . 15.0 111.424 -173.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.864 ' HD3' ' HE1' ' B' ' 117' ' ' TYR . 70.0 mmtt 66.24 21.38 11.06 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 116.204 -0.453 . . . . 15.0 111.292 175.607 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.41 ' OG1' ' HB3' ' A' ' 31' ' ' ASP . 47.1 p -97.86 150.16 21.59 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.781 -0.367 . . . . 15.0 110.644 -173.599 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.715 ' HB ' ' HG2' ' B' ' 114' ' ' PRO . 4.2 p -133.23 142.46 48.58 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.665 0.269 . . . . 15.0 111.094 179.63 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.872 ' HG1' ' HG3' ' A' ' 40' ' ' GLU . 8.8 t -150.11 150.28 31.46 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.418 -0.356 . . . . 15.0 110.823 -178.465 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 62.5 m95 -89.4 -10.68 45.62 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.097 0.475 . . . . 15.0 110.381 179.322 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.872 ' HG3' ' HG1' ' A' ' 38' ' ' THR . 2.6 pp20? -95.04 159.04 15.2 Favored 'General case' 0 N--CA 1.443 -0.812 0 CA-C-N 115.731 -0.668 . . . . 15.0 109.969 -174.752 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.426 ' HA ' ' HD2' ' A' ' 42' ' ' PRO . 38.8 t0 -114.98 118.69 40.21 Favored Pre-proline 0 C--N 1.32 -0.687 0 CA-C-N 116.118 -0.492 . . . . 15.0 111.552 -169.001 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.426 ' HD2' ' HA ' ' A' ' 41' ' ' ASP . 28.0 Cg_endo -63.14 -17.64 61.16 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 123.341 2.694 . . . . 15.0 112.216 176.794 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.411 ' HB3' ' OD2' ' A' ' 41' ' ' ASP . 26.0 ttp180 -77.42 -24.5 50.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.908 -0.587 . . . . 15.0 110.926 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 84.4 mt -77.35 -9.85 59.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.532 0.682 . . . . 15.0 111.348 -177.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.307 -1.254 0 CA-C-N 114.926 -1.034 . . . . 15.0 108.847 179.236 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 . . . . . 0 N--CA 1.481 1.086 0 N-CA-C 109.757 -0.461 . . . . 15.0 109.757 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 113' ' ' ILE . . . . . 0.673 HD11 ' H ' ' B' ' 113' ' ' ILE . 0.2 OUTLIER -107.07 125.03 33.51 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 120.918 0.39 . . . . 15.0 111.952 -172.905 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 114' ' ' PRO . . . . . 0.715 ' HG2' ' HB ' ' A' ' 37' ' ' THR . 50.5 Cg_endo -84.06 128.81 4.44 Favored 'Trans proline' 0 N--CA 1.458 -0.569 0 C-N-CA 122.785 2.323 . . . . 15.0 112.274 175.637 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 115' ' ' PRO . . . . . 0.401 ' HA ' ' HD2' ' B' ' 116' ' ' PRO . 52.4 Cg_exo -55.49 127.36 25.88 Favored 'Trans proline' 0 N--CA 1.477 0.514 0 C-N-CA 123.053 2.502 . . . . 15.0 113.912 176.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 116' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' B' ' 115' ' ' PRO . 7.9 Cg_endo -49.67 -179.58 0.02 OUTLIER 'Trans proline' 0 N--CA 1.416 -3.068 0 C-N-CA 125.017 3.811 . . . . 15.0 115.076 167.124 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 117' ' ' TYR . . . . . 0.906 ' HB3' HG22 ' A' ' 30' ' ' ILE . 3.0 p90 -93.1 139.42 30.59 Favored 'General case' 1 C--N 1.243 -4.031 1 CA-C-N 105.807 -5.179 . . . . 15.0 110.421 -178.969 . . . . . . . . 4 3 . 1 . 001 nuclear orig full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 45.7 t -106.03 -43.82 7.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 121.658 0.742 . . . . 15.0 109.049 172.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 119' ' ' GLU . . . . . 0.462 ' CD ' ' H ' ' B' ' 119' ' ' GLU . 1.5 pm0 -89.98 127.4 53.89 Favored Pre-proline 0 C--N 1.321 -0.652 0 CA-C-N 114.765 -1.107 . . . . 15.0 110.561 178.433 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 120' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--O 1.25 1.079 0 C-N-CA 123.136 2.557 . . . . 15.0 112.526 -177.262 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.827 ' HE2' ' HD3' ' A' ' 43' ' ' ARG . 49.8 t80 . . . . . 0 N--CA 1.481 1.085 0 CA-C-O 121.419 0.628 . . . . 15.0 110.239 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.423 HD11 ' HA ' ' A' ' 13' ' ' LEU . 3.9 mm? -116.32 138.83 24.62 Favored Pre-proline 0 C--N 1.32 -0.708 0 CA-C-N 115.619 -0.719 . . . . 15.0 110.949 -176.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.718 ' HB2' ' CD1' ' A' ' 17' ' ' TRP . 5.7 Cg_exo -49.8 151.44 8.11 Favored 'Trans proline' 0 CA--C 1.498 -1.288 0 C-N-CA 124.522 3.481 . . . . 15.0 115.27 171.306 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 53.7 tttm -52.51 120.42 5.59 Favored 'General case' 0 C--N 1.296 -1.74 0 CA-C-N 111.355 -2.657 . . . . 15.0 111.47 -173.506 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 82.31 3.32 90.59 Favored Glycine 0 N--CA 1.45 -0.401 0 CA-C-N 115.948 -0.569 . . . . 15.0 112.922 176.374 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.718 ' CD1' ' HB2' ' A' ' 14' ' ' PRO . 45.6 m95 -90.05 122.49 33.09 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.411 0.624 . . . . 15.0 110.454 177.616 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.716 ' O ' ' HA ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -106.76 150.34 26.4 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 115.188 -0.914 . . . . 15.0 110.708 -178.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.528 HG23 ' CD2' ' A' ' 29' ' ' PHE . 13.9 t -132.21 89.94 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.486 0 CA-C-N 114.575 -1.193 . . . . 15.0 108.956 176.725 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.688 ' O ' ' HA ' ' A' ' 27' ' ' PRO . 15.7 ttm180 -117.58 147.28 42.98 Favored 'General case' 0 C--N 1.316 -0.886 0 C-N-CA 120.455 -0.498 . . . . 15.0 110.086 -177.314 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.709 ' HD2' ' N ' ' A' ' 27' ' ' PRO . 0.1 OUTLIER -104.76 109.79 21.88 Favored 'General case' 0 C--N 1.31 -1.136 0 N-CA-C 108.15 -1.056 . . . . 15.0 108.15 -173.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.08 163.67 22.47 Favored Pre-proline 0 C--N 1.323 -0.582 0 O-C-N 123.284 0.365 . . . . 15.0 110.25 -179.218 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_exo -58.14 -15.13 21.85 Favored 'Trans proline' 0 C--N 1.35 0.637 0 C-N-CA 122.684 2.256 . . . . 15.0 113.47 -178.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 19.5 p30 -80.43 -10.07 59.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.346 0.593 . . . . 15.0 109.693 176.504 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 86.78 27.83 28.1 Favored Glycine 0 N--CA 1.439 -1.156 0 CA-C-N 115.21 -0.905 . . . . 15.0 112.704 178.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -117.78 134.37 23.25 Favored Pre-proline 0 C--N 1.326 -0.452 0 N-CA-C 110.082 -0.34 . . . . 15.0 110.082 177.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.709 ' N ' ' HD2' ' A' ' 21' ' ' HIS . 98.9 Cg_endo -88.81 117.83 0.91 Allowed 'Trans proline' 0 N--CA 1.456 -0.705 0 C-N-CA 122.451 2.1 . . . . 15.0 112.208 176.365 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.446 ' CE2' HD13 ' A' ' 30' ' ' ILE . 1.1 p90 -104.61 121.76 44.21 Favored 'General case' 0 N--CA 1.437 -1.106 0 CA-C-N 114.155 -1.384 . . . . 15.0 108.924 177.738 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.716 ' HA ' ' O ' ' A' ' 18' ' ' GLU . 6.6 m-85 -89.71 118.33 29.24 Favored 'General case' 0 N--CA 1.442 -0.87 0 CA-C-N 115.576 -0.738 . . . . 15.0 109.345 -176.648 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.892 HG21 ' HB3' ' B' ' 117' ' ' TYR . 14.3 mt -105.1 136.74 37.6 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.937 0 CA-C-N 115.833 -0.622 . . . . 15.0 110.794 -177.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.514 ' HB3' ' HB ' ' A' ' 36' ' ' THR . 0.4 OUTLIER -89.99 109.76 20.78 Favored 'General case' 0 C--N 1.309 -1.191 0 CA-C-N 114.891 -1.05 . . . . 15.0 108.596 169.821 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.57 ' NE2' ' HB ' ' A' ' 30' ' ' ILE . 13.0 m170 -93.31 1.89 56.8 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.024 -0.989 . . . . 15.0 110.753 -173.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 13.3 m-80 -84.6 -22.74 29.89 Favored 'General case' 0 CA--C 1.516 -0.351 0 N-CA-C 109.416 -0.587 . . . . 15.0 109.416 177.34 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.752 HG21 ' HG3' ' A' ' 35' ' ' LYS . 24.8 m -135.54 -79.08 0.43 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.743 -0.662 . . . . 15.0 111.064 179.125 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.752 ' HG3' HG21 ' A' ' 34' ' ' THR . 0.0 OUTLIER 173.99 24.45 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 111.621 0.23 . . . . 15.0 111.621 -178.148 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.514 ' HB ' ' HB3' ' A' ' 31' ' ' ASP . 1.0 OUTLIER -89.83 150.44 22.24 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 120.517 -0.473 . . . . 15.0 110.426 -168.134 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 1.03 ' HB ' ' HB2' ' B' ' 114' ' ' PRO . 16.9 p -139.39 132.9 30.3 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.089 0.471 . . . . 15.0 111.709 -177.252 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.543 ' OG1' ' HG3' ' A' ' 40' ' ' GLU . 8.1 t -150.08 150.0 31.09 Favored 'General case' 0 C--O 1.221 -0.433 0 CA-C-N 116.034 -0.53 . . . . 15.0 110.198 -179.69 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 64.4 m95 -91.89 -14.19 30.04 Favored 'General case' 0 CA--C 1.511 -0.524 0 CA-C-O 121.441 0.639 . . . . 15.0 110.345 177.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.543 ' HG3' ' OG1' ' A' ' 38' ' ' THR . 0.3 OUTLIER -94.25 157.88 15.85 Favored 'General case' 0 N--CA 1.437 -1.125 0 CA-C-N 115.622 -0.717 . . . . 15.0 110.503 -173.424 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.664 ' OD1' ' HB3' ' A' ' 43' ' ' ARG . 10.0 t0 -98.49 128.99 31.36 Favored Pre-proline 0 C--N 1.316 -0.882 0 CA-C-N 115.609 -0.723 . . . . 15.0 111.233 -163.467 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -66.88 -12.75 37.27 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 123.001 2.467 . . . . 15.0 112.612 178.571 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.827 ' HD3' ' HE2' ' A' ' 12' ' ' PHE . 9.9 ttp180 -79.46 -14.91 58.59 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.806 0.812 . . . . 15.0 110.051 175.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 85.8 mt -78.65 -9.47 59.4 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.183 -0.917 . . . . 15.0 110.146 174.461 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt . . . . . 0 C--O 1.249 1.031 0 CA-C-N 114.667 -1.152 . . . . 15.0 109.724 178.011 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.48 1.041 0 N-CA-C 110.101 -0.333 . . . . 15.0 110.101 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 56.4 mt -45.9 118.32 4.28 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.073 0.858 . . . . 15.0 111.859 179.246 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 114' ' ' PRO . . . . . 1.03 ' HB2' ' HB ' ' A' ' 37' ' ' THR . 23.8 Cg_exo -62.96 132.87 38.75 Favored 'Trans proline' 0 CA--C 1.533 0.427 0 C-N-CA 122.648 2.232 . . . . 15.0 111.901 176.361 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 115' ' ' PRO . . . . . 0.416 ' HA ' ' HD2' ' B' ' 116' ' ' PRO . 39.1 Cg_exo -58.12 123.71 14.27 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.707 2.271 . . . . 15.0 113.074 175.03 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 116' ' ' PRO . . . . . 0.416 ' HD2' ' HA ' ' B' ' 115' ' ' PRO . 6.5 Cg_endo -48.86 -179.53 0.01 OUTLIER 'Trans proline' 0 N--CA 1.416 -3.072 0 C-N-CA 125.182 3.921 . . . . 15.0 114.602 167.853 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 117' ' ' TYR . . . . . 0.892 ' HB3' HG21 ' A' ' 30' ' ' ILE . 8.1 p90 -93.68 123.49 37.05 Favored 'General case' 1 C--N 1.239 -4.207 1 CA-C-N 105.964 -5.107 . . . . 15.0 110.149 -178.742 . . . . . . . . 4 3 . 1 . 002 nuclear orig full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 27.6 m -98.31 -0.97 10.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.726 0.774 . . . . 15.0 109.475 173.601 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 119' ' ' GLU . . . . . 0.464 ' HA ' ' HD3' ' B' ' 120' ' ' PRO . 5.6 pt-20 -139.52 125.6 12.15 Favored Pre-proline 0 C--N 1.321 -0.637 0 CA-C-N 114.564 -1.198 . . . . 15.0 110.087 -177.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 120' ' ' PRO . . . . . 0.464 ' HD3' ' HA ' ' B' ' 119' ' ' GLU . 13.5 Cg_exo . . . . . 0 C--O 1.247 0.947 0 C-N-CA 123.035 2.49 . . . . 15.0 112.232 -178.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 17.8 p90 . . . . . 0 N--CA 1.481 1.082 0 CA-C-O 121.366 0.603 . . . . 15.0 110.505 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.639 HD11 ' HG2' ' A' ' 42' ' ' PRO . 3.3 mm? -120.19 153.2 55.49 Favored Pre-proline 0 C--N 1.322 -0.623 0 CA-C-N 115.648 -0.706 . . . . 15.0 109.784 178.002 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.727 ' HB2' ' CD1' ' A' ' 17' ' ' TRP . 13.0 Cg_exo -49.87 151.3 8.47 Favored 'Trans proline' 0 CA--C 1.491 -1.667 0 C-N-CA 123.737 2.958 . . . . 15.0 114.697 170.151 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.444 ' HD3' ' HA ' ' A' ' 15' ' ' LYS . 27.4 mmtp -67.5 128.21 35.58 Favored 'General case' 0 C--N 1.283 -2.307 0 CA-C-N 112.01 -2.359 . . . . 15.0 111.225 -171.766 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.16 -4.53 85.39 Favored Glycine 0 C--O 1.225 -0.441 0 CA-C-N 114.903 -1.044 . . . . 15.0 112.216 -174.617 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.727 ' CD1' ' HB2' ' A' ' 14' ' ' PRO . 40.3 m95 -89.75 123.89 34.15 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.007 0.432 . . . . 15.0 109.861 176.025 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.45 ' O ' ' HA ' ' A' ' 29' ' ' PHE . 23.2 mt-10 -124.17 140.9 52.52 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-O 121.973 0.892 . . . . 15.0 112.261 -176.094 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.502 HG22 ' CD2' ' A' ' 29' ' ' PHE . 9.9 t -111.2 100.59 11.08 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.553 0 CA-C-N 113.851 -1.522 . . . . 15.0 109.654 -179.491 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.617 ' O ' ' HA ' ' A' ' 27' ' ' PRO . 0.1 OUTLIER -117.51 145.4 44.24 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.675 -0.491 . . . . 15.0 109.675 179.351 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.687 ' HD2' ' N ' ' A' ' 27' ' ' PRO . 1.3 m170 -90.02 113.25 24.9 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.173 -0.677 . . . . 15.0 109.173 176.084 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.24 164.86 55.91 Favored Pre-proline 0 C--N 1.32 -0.706 0 CA-C-N 116.231 -0.441 . . . . 15.0 110.01 177.132 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -56.3 -9.8 3.96 Favored 'Trans proline' 0 C--N 1.35 0.65 0 C-N-CA 123.248 2.632 . . . . 15.0 113.192 177.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 62.8 t30 -80.02 -9.99 59.74 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.667 -0.864 . . . . 15.0 108.667 178.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 83.87 33.09 22.27 Favored Glycine 0 N--CA 1.44 -1.07 0 CA-C-N 114.914 -1.039 . . . . 15.0 111.655 179.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.613 ' C ' ' HD2' ' A' ' 21' ' ' HIS . 29.4 mmt180 -140.59 146.51 45.12 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-O 120.598 0.237 . . . . 15.0 110.739 -173.693 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.687 ' N ' ' HD2' ' A' ' 21' ' ' HIS . 84.0 Cg_endo -88.29 112.61 0.72 Allowed 'Trans proline' 0 N--CA 1.46 -0.474 0 C-N-CA 122.754 2.303 . . . . 15.0 111.994 174.874 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.534 ' HD1' ' H ' ' A' ' 28' ' ' PHE . 0.4 OUTLIER -99.8 124.39 45.03 Favored 'General case' 0 N--CA 1.438 -1.032 0 CA-C-N 114.484 -1.234 . . . . 15.0 108.062 174.179 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.502 ' CD2' HG22 ' A' ' 19' ' ' VAL . 5.7 m-85 -89.74 113.53 25.06 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.422 -0.808 . . . . 15.0 109.096 -174.636 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.652 HG23 ' HB3' ' B' ' 117' ' ' TYR . 20.4 mt -98.65 130.65 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.3 0 CA-C-N 115.243 -0.889 . . . . 15.0 111.002 -177.802 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -90.35 103.32 16.01 Favored 'General case' 0 C--N 1.304 -1.39 0 CA-C-N 114.628 -1.169 . . . . 15.0 108.364 168.338 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.488 ' CD2' ' HB ' ' A' ' 30' ' ' ILE . 12.3 m-70 -81.24 1.77 30.84 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 114.792 -1.095 . . . . 15.0 110.828 -173.706 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 26.5 m-80 -89.11 -46.81 8.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 15.0 110.879 179.407 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -115.55 10.02 15.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.416 -0.357 . . . . 15.0 111.944 -173.636 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.528 ' HZ1' ' HB2' ' A' ' 35' ' ' LYS . 0.0 OUTLIER 70.64 18.91 6.26 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 121.161 0.505 . . . . 15.0 110.742 176.513 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 69.7 p -97.97 150.28 21.53 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 121.976 -0.453 . . . . 15.0 110.73 -173.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.7 ' HB ' ' HB2' ' B' ' 114' ' ' PRO . 1.6 p -125.28 150.25 47.27 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.192 0.52 . . . . 15.0 112.124 -178.691 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 53.7 m -147.88 148.18 30.55 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.603 -0.726 . . . . 15.0 110.003 -176.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 93.2 m95 -90.69 -35.87 14.67 Favored 'General case' 0 CA--C 1.504 -0.825 0 CA-C-O 121.818 0.818 . . . . 15.0 110.578 177.229 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.475 ' CD ' ' HZ2' ' A' ' 45' ' ' LYS . 2.1 pp20? -88.08 160.9 17.61 Favored 'General case' 0 N--CA 1.431 -1.424 0 CA-C-N 114.411 -1.268 . . . . 15.0 110.888 -170.207 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.633 ' OD1' ' HB3' ' A' ' 43' ' ' ARG . 10.1 t70 -92.21 122.73 64.29 Favored Pre-proline 0 C--N 1.316 -0.863 0 CA-C-N 115.477 -0.783 . . . . 15.0 111.031 -163.665 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.639 ' HG2' HD11 ' A' ' 13' ' ' LEU . 38.5 Cg_endo -67.71 -12.38 35.31 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 123.041 2.494 . . . . 15.0 113.475 -176.494 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.633 ' HB3' ' OD1' ' A' ' 41' ' ' ASP . 0.6 OUTLIER -78.18 -20.19 52.42 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.717 0.77 . . . . 15.0 109.647 176.495 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 90.8 mt -74.83 -9.66 58.76 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 114.948 -1.024 . . . . 15.0 111.169 178.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.475 ' HZ2' ' CD ' ' A' ' 40' ' ' GLU . 62.2 mttm . . . . . 0 C--O 1.251 1.172 0 CA-C-N 114.848 -1.069 . . . . 15.0 110.256 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 . . . . . 0 N--CA 1.482 1.144 0 N-CA-C 110.262 -0.273 . . . . 15.0 110.262 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 113' ' ' ILE . . . . . 0.534 HD11 ' HD2' ' B' ' 114' ' ' PRO . 6.8 tp -153.95 120.13 2.82 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-N 116.516 -0.311 . . . . 15.0 110.667 -179.381 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 114' ' ' PRO . . . . . 0.7 ' HB2' ' HB ' ' A' ' 37' ' ' THR . 35.8 Cg_endo -87.8 119.69 1.33 Allowed 'Trans proline' 0 N--CA 1.453 -0.889 0 C-N-CA 122.272 1.982 . . . . 15.0 112.155 173.518 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 115' ' ' PRO . . . . . 0.414 ' HA ' ' HD2' ' B' ' 116' ' ' PRO . 36.9 Cg_exo -64.51 127.8 19.78 Favored 'Trans proline' 0 N--CA 1.475 0.411 0 C-N-CA 123.111 2.541 . . . . 15.0 113.245 174.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 116' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' B' ' 115' ' ' PRO . 6.7 Cg_endo -48.94 -179.58 0.01 OUTLIER 'Trans proline' 0 N--CA 1.414 -3.165 0 C-N-CA 124.723 3.616 . . . . 15.0 114.746 169.38 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 117' ' ' TYR . . . . . 0.652 ' HB3' HG23 ' A' ' 30' ' ' ILE . 1.9 p90 -76.96 119.75 21.13 Favored 'General case' 1 C--N 1.239 -4.229 1 CA-C-N 106.221 -4.991 . . . . 15.0 110.408 -177.471 . . . . . . . . 4 3 . 1 . 003 nuclear orig full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 11.2 p -100.68 -16.49 7.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 108.159 -1.052 . . . . 15.0 108.159 169.109 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 119' ' ' GLU . . . . . 0.466 ' O ' ' HD1' ' B' ' 117' ' ' TYR . 1.3 mm-40 -95.48 120.08 64.27 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-N 114.177 -1.374 . . . . 15.0 109.09 178.635 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 120' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo . . . . . 0 C--O 1.252 1.193 0 C-N-CA 122.298 1.998 . . . . 15.0 111.917 179.187 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 20.8 p90 . . . . . 0 N--CA 1.482 1.149 0 CA-C-O 121.216 0.532 . . . . 15.0 110.561 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.668 HD11 ' HG2' ' A' ' 42' ' ' PRO . 3.2 mm? -120.17 164.0 25.09 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-N 116.131 -0.486 . . . . 15.0 110.771 -177.523 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.657 ' HB2' ' CD1' ' A' ' 17' ' ' TRP . 4.1 Cg_exo -49.38 151.26 7.04 Favored 'Trans proline' 0 CA--C 1.494 -1.494 0 C-N-CA 124.053 3.169 . . . . 15.0 115.211 167.751 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 20.7 pttp -60.32 140.41 57.12 Favored 'General case' 0 C--N 1.288 -2.069 0 CA-C-N 111.626 -2.534 . . . . 15.0 110.422 -173.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 75.57 -8.24 21.13 Favored Glycine 0 C--N 1.318 -0.453 0 CA-C-N 115.524 -0.762 . . . . 15.0 113.094 -176.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.657 ' CD1' ' HB2' ' A' ' 14' ' ' PRO . 62.1 m95 -89.84 112.65 24.05 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 117.476 0.638 . . . . 15.0 109.882 177.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.504 ' O ' ' HA ' ' A' ' 29' ' ' PHE . 41.8 mm-40 -108.83 146.16 34.12 Favored 'General case' 0 C--N 1.312 -1.041 0 CA-C-N 115.452 -0.794 . . . . 15.0 111.916 -175.109 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.5 HG23 ' CD2' ' A' ' 29' ' ' PHE . 16.3 t -113.06 101.72 12.9 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.02 0 CA-C-N 114.356 -1.293 . . . . 15.0 109.521 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.695 ' O ' ' HA ' ' A' ' 27' ' ' PRO . 20.5 tpp180 -116.56 144.9 43.8 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.761 -0.459 . . . . 15.0 109.761 179.132 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.638 ' HD2' ' N ' ' A' ' 27' ' ' PRO . 0.8 OUTLIER -107.82 110.04 21.74 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.673 -1.232 . . . . 15.0 107.673 -178.197 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.95 160.35 8.69 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 116.451 -0.341 . . . . 15.0 110.177 -178.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_exo -56.86 -18.4 27.41 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.494 2.129 . . . . 15.0 113.168 -178.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 20.6 p30 -80.45 -13.11 59.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.407 0.623 . . . . 15.0 109.82 177.534 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 88.39 37.62 7.52 Favored Glycine 0 N--CA 1.436 -1.359 0 CA-C-N 115.06 -0.973 . . . . 15.0 112.546 -179.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -120.67 126.59 26.65 Favored Pre-proline 0 C--N 1.321 -0.671 0 N-CA-C 109.3 -0.63 . . . . 15.0 109.3 173.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.695 ' HA ' ' O ' ' A' ' 20' ' ' ARG . 72.6 Cg_endo -89.01 117.53 0.84 Allowed 'Trans proline' 0 N--CA 1.453 -0.885 0 C-N-CA 122.226 1.951 . . . . 15.0 112.391 178.3 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -105.47 122.28 45.67 Favored 'General case' 0 N--CA 1.439 -1.022 0 CA-C-N 113.625 -1.625 . . . . 15.0 108.961 178.769 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.504 ' HA ' ' O ' ' A' ' 18' ' ' GLU . 7.2 m-85 -89.87 114.2 25.93 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.337 -0.616 . . . . 15.0 109.337 -175.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.711 HG21 ' HB3' ' B' ' 117' ' ' TYR . 17.3 mt -99.0 138.17 24.25 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 115.576 -0.738 . . . . 15.0 111.177 -175.301 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -92.31 112.82 24.91 Favored 'General case' 0 C--N 1.309 -1.188 0 CA-C-N 115.311 -0.859 . . . . 15.0 108.823 168.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.666 ' CE1' ' HB2' ' B' ' 117' ' ' TYR . 12.3 m170 -93.94 4.54 53.77 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.417 -0.811 . . . . 15.0 110.613 -175.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 22.0 m-80 -89.81 -63.59 1.26 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.048 0.451 . . . . 15.0 110.31 178.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.412 ' O ' ' HB3' ' A' ' 35' ' ' LYS . 11.0 m -106.57 -3.53 20.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.862 -0.608 . . . . 15.0 110.974 -174.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.534 ' HD2' ' HB3' ' B' ' 116' ' ' PRO . 4.9 tppp? 70.34 85.93 0.13 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.713 -0.676 . . . . 15.0 111.222 -179.074 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.8 p -143.68 150.04 38.12 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.558 -0.746 . . . . 15.0 109.059 172.145 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.958 ' HB ' ' HB2' ' B' ' 114' ' ' PRO . 33.2 p -127.88 137.48 52.34 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.097 0.475 . . . . 15.0 112.12 -175.861 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.507 ' OG1' ' HG3' ' A' ' 40' ' ' GLU . 9.7 t -150.14 150.08 31.15 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.85 -0.614 . . . . 15.0 109.79 178.715 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 67.0 m95 -90.31 -10.68 43.22 Favored 'General case' 0 CA--C 1.513 -0.451 0 CA-C-O 121.086 0.469 . . . . 15.0 109.899 178.073 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.507 ' HG3' ' OG1' ' A' ' 38' ' ' THR . 0.8 OUTLIER -104.53 157.4 17.19 Favored 'General case' 0 N--CA 1.441 -0.875 0 CA-C-N 115.543 -0.753 . . . . 15.0 110.407 -174.116 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -92.79 135.68 25.88 Favored Pre-proline 0 C--N 1.319 -0.76 0 N-CA-C 113.101 0.778 . . . . 15.0 113.101 -164.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.668 ' HG2' HD11 ' A' ' 13' ' ' LEU . 58.7 Cg_endo -73.22 -9.91 23.72 Favored 'Trans proline' 0 CA--C 1.531 0.367 0 C-N-CA 123.294 2.663 . . . . 15.0 112.817 176.54 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 16.1 tpp180 -76.71 -32.09 57.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.078 0.466 . . . . 15.0 110.75 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.42 HD22 ' HA ' ' A' ' 44' ' ' LEU . 9.6 mt -80.14 -9.41 59.71 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.923 -0.58 . . . . 15.0 112.167 -179.645 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.664 ' HE2' ' HA ' ' A' ' 45' ' ' LYS . 9.8 mmpt? . . . . . 0 C--O 1.25 1.084 0 CA-C-N 115.463 -0.789 . . . . 15.0 110.229 -179.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 27.2 mp0 . . . . . 0 N--CA 1.482 1.134 0 CA-C-O 120.616 0.246 . . . . 15.0 110.397 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 50.8 mm -98.97 110.99 59.71 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 116.121 -0.49 . . . . 15.0 110.566 -177.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 114' ' ' PRO . . . . . 0.958 ' HB2' ' HB ' ' A' ' 37' ' ' THR . 12.1 Cg_exo -68.05 128.04 17.0 Favored 'Trans proline' 0 CA--C 1.531 0.37 0 C-N-CA 122.569 2.18 . . . . 15.0 112.142 177.644 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 115' ' ' PRO . . . . . 0.409 ' HA ' ' HD2' ' B' ' 116' ' ' PRO . 31.7 Cg_exo -60.59 126.67 20.47 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.642 2.228 . . . . 15.0 112.747 173.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 116' ' ' PRO . . . . . 0.534 ' HB3' ' HD2' ' A' ' 35' ' ' LYS . 7.3 Cg_endo -49.21 -179.49 0.01 OUTLIER 'Trans proline' 0 N--CA 1.414 -3.151 0 C-N-CA 125.121 3.88 . . . . 15.0 114.919 169.033 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 117' ' ' TYR . . . . . 0.711 ' HB3' HG21 ' A' ' 30' ' ' ILE . 2.0 p90 -81.99 128.49 34.13 Favored 'General case' 0 C--N 1.244 -3.996 1 CA-C-N 105.993 -5.094 . . . . 15.0 110.12 -178.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 19.8 m -109.79 -12.06 11.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 121.532 0.682 . . . . 15.0 109.255 175.324 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -101.45 106.05 43.66 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 114.962 -1.017 . . . . 15.0 109.255 176.159 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 120' ' ' PRO . . . . . 0.429 ' HA ' ' CE1' ' B' ' 117' ' ' TYR . 23.6 Cg_exo . . . . . 0 C--O 1.251 1.166 0 C-N-CA 122.704 2.269 . . . . 15.0 112.226 -177.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 28.0 t80 . . . . . 0 N--CA 1.478 0.926 0 N-CA-C 109.391 -0.596 . . . . 15.0 109.391 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.456 ' HB2' ' HG2' ' A' ' 42' ' ' PRO . 4.4 pp -72.59 154.62 91.48 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 120.582 0.229 . . . . 15.0 110.588 -179.752 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.777 ' HB2' ' CD1' ' A' ' 17' ' ' TRP . 30.5 Cg_exo -49.72 151.23 8.08 Favored 'Trans proline' 0 CA--C 1.497 -1.329 0 C-N-CA 124.819 3.679 . . . . 15.0 116.748 -178.746 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.636 ' HZ3' ' HB3' ' A' ' 15' ' ' LYS . 10.2 mtpm? -71.15 135.92 47.86 Favored 'General case' 0 C--N 1.293 -1.876 0 CA-C-N 111.061 -2.791 . . . . 15.0 110.562 -177.182 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 83.28 2.91 90.32 Favored Glycine 0 C--N 1.319 -0.397 0 CA-C-N 115.613 -0.721 . . . . 15.0 111.545 -177.114 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.777 ' CD1' ' HB2' ' A' ' 14' ' ' PRO . 26.5 m95 -93.58 111.32 22.97 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.51 0.672 . . . . 15.0 109.966 176.111 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.66 ' O ' ' HA ' ' A' ' 29' ' ' PHE . 4.9 mt-10 -99.76 150.17 22.6 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.128 -0.942 . . . . 15.0 111.482 -175.791 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.512 HG22 ' CD2' ' A' ' 29' ' ' PHE . 15.8 t -118.38 89.92 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.347 0 CA-C-N 114.622 -1.172 . . . . 15.0 109.113 175.38 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.593 ' O ' ' HA ' ' A' ' 27' ' ' PRO . 18.6 ttm180 -102.32 135.59 43.65 Favored 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 120.643 -0.423 . . . . 15.0 110.142 -178.766 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.658 ' HD2' ' N ' ' A' ' 27' ' ' PRO . 0.1 OUTLIER -91.46 110.44 21.75 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 108.107 -1.072 . . . . 15.0 108.107 175.957 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.19 164.81 12.53 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-N 116.446 -0.343 . . . . 15.0 110.499 -179.501 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_exo -60.3 -16.34 40.39 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.558 2.172 . . . . 15.0 113.145 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 26.4 p30 -80.27 -14.29 58.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.294 0.569 . . . . 15.0 109.834 175.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.91 37.89 5.92 Favored Glycine 0 N--CA 1.44 -1.063 0 CA-C-N 115.066 -0.97 . . . . 15.0 113.098 178.147 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.503 ' C ' ' HD2' ' A' ' 21' ' ' HIS . 23.2 mmt180 -127.21 138.38 32.63 Favored Pre-proline 0 C--N 1.326 -0.419 0 O-C-N 122.815 -0.227 . . . . 15.0 110.574 177.535 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.658 ' N ' ' HD2' ' A' ' 21' ' ' HIS . 94.3 Cg_endo -88.18 113.41 0.78 Allowed 'Trans proline' 0 C--N 1.343 0.252 0 C-N-CA 122.26 1.973 . . . . 15.0 112.475 175.54 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.402 ' H ' ' HD1' ' A' ' 28' ' ' PHE . 0.3 OUTLIER -105.01 126.7 52.35 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 114.378 -1.283 . . . . 15.0 108.703 174.935 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.66 ' HA ' ' O ' ' A' ' 18' ' ' GLU . 6.9 m-85 -89.94 114.38 26.18 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.654 -0.703 . . . . 15.0 109.434 -174.05 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.821 HG21 ' HB3' ' B' ' 117' ' ' TYR . 21.2 mt -96.65 127.77 48.48 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.876 0 CA-C-N 115.279 -0.873 . . . . 15.0 110.763 -177.057 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.444 ' HB3' ' O ' ' A' ' 36' ' ' THR . 1.8 t70 -90.97 104.64 17.2 Favored 'General case' 0 C--N 1.302 -1.494 0 CA-C-N 114.928 -1.033 . . . . 15.0 108.639 172.054 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.456 ' CE1' ' HB2' ' B' ' 117' ' ' TYR . 11.4 m170 -84.64 0.61 49.61 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.271 -0.877 . . . . 15.0 110.545 -174.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 28.2 m-80 -87.21 -69.9 0.65 Allowed 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 121.079 0.466 . . . . 15.0 110.041 177.394 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -83.64 -3.75 57.99 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.899 -0.591 . . . . 15.0 110.085 -178.436 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.5 ' HD2' ' CE1' ' B' ' 117' ' ' TYR . 70.1 mmtt 70.84 29.83 3.02 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 115.267 -0.879 . . . . 15.0 110.555 175.626 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.444 ' O ' ' HB3' ' A' ' 31' ' ' ASP . 61.4 p -106.76 150.2 26.55 Favored 'General case' 0 C--O 1.219 -0.517 0 CA-C-N 115.867 -0.606 . . . . 15.0 110.694 -176.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.617 ' HB ' ' HB2' ' B' ' 114' ' ' PRO . 2.5 p -121.48 141.09 51.36 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 121.905 -0.497 . . . . 15.0 112.161 -177.414 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.777 ' HG1' ' HG3' ' A' ' 40' ' ' GLU . 12.7 t -150.09 150.35 31.57 Favored 'General case' 0 C--O 1.224 -0.252 0 CA-C-N 116.253 -0.43 . . . . 15.0 110.364 178.845 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 52.4 m95 -89.84 -7.88 53.3 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.963 0.411 . . . . 15.0 110.952 -178.533 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.777 ' HG3' ' HG1' ' A' ' 38' ' ' THR . 0.9 OUTLIER -94.26 162.42 13.86 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 116.098 -0.501 . . . . 15.0 110.804 -172.529 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.725 ' HB3' ' HG2' ' A' ' 43' ' ' ARG . 2.1 m-20 -93.62 118.04 67.41 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 115.806 -0.634 . . . . 15.0 111.741 -170.308 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.456 ' HG2' ' HB2' ' A' ' 13' ' ' LEU . 56.4 Cg_endo -69.19 -9.62 26.81 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.639 2.226 . . . . 15.0 111.668 175.156 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.725 ' HG2' ' HB3' ' A' ' 41' ' ' ASP . 8.0 ptp85 -71.53 -26.82 62.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.047 -0.524 . . . . 15.0 110.884 177.102 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 84.6 mt -80.36 -9.73 59.75 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-O 121.564 0.697 . . . . 15.0 111.128 179.085 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.452 ' HD3' ' OE1' ' A' ' 40' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.094 0 CA-C-N 114.986 -1.006 . . . . 15.0 110.724 -173.461 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 . . . . . 0 N--CA 1.479 0.985 0 CA-C-O 120.799 0.333 . . . . 15.0 110.319 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 113' ' ' ILE . . . . . 0.525 HD13 ' HD2' ' B' ' 114' ' ' PRO . 5.9 tp -151.47 113.77 3.03 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 116.231 -0.44 . . . . 15.0 110.535 -179.628 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 114' ' ' PRO . . . . . 0.617 ' HB2' ' HB ' ' A' ' 37' ' ' THR . 43.1 Cg_endo -84.35 120.14 2.47 Favored 'Trans proline' 0 N--CA 1.457 -0.661 0 C-N-CA 122.648 2.232 . . . . 15.0 112.71 178.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 115' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -58.22 130.95 40.35 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 123.13 2.553 . . . . 15.0 113.262 175.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 7.1 Cg_endo -49.15 -179.4 0.01 OUTLIER 'Trans proline' 0 N--CA 1.414 -3.166 0 C-N-CA 124.968 3.779 . . . . 15.0 115.038 167.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 117' ' ' TYR . . . . . 0.821 ' HB3' HG21 ' A' ' 30' ' ' ILE . 23.3 p90 -76.92 141.38 40.53 Favored 'General case' 1 C--N 1.241 -4.142 1 CA-C-N 105.733 -5.212 . . . . 15.0 110.883 -179.34 . . . . . . . . 4 3 . 1 . 005 nuclear orig full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 11.2 p -100.53 -23.95 4.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 108.621 -0.881 . . . . 15.0 108.621 172.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 119' ' ' GLU . . . . . 0.439 ' O ' ' HD2' ' B' ' 117' ' ' TYR . 7.9 mm-40 -96.27 119.03 65.07 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 114.574 -1.194 . . . . 15.0 109.133 177.16 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 120' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_endo . . . . . 0 C--O 1.248 1.017 0 C-N-CA 122.843 2.362 . . . . 15.0 112.519 -177.193 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.565 ' HE1' HH11 ' A' ' 43' ' ' ARG . 8.6 p90 . . . . . 0 N--CA 1.482 1.169 0 N-CA-C 112.004 0.372 . . . . 15.0 112.004 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.0 pp -105.16 147.16 34.07 Favored Pre-proline 0 C--N 1.326 -0.455 0 N-CA-C 109.852 -0.425 . . . . 15.0 109.852 176.254 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.65 ' HB2' ' CD1' ' A' ' 17' ' ' TRP . 22.9 Cg_exo -49.63 151.0 8.06 Favored 'Trans proline' 0 CA--C 1.497 -1.331 0 C-N-CA 124.663 3.575 . . . . 15.0 116.935 -177.001 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 28.4 ttpp -73.78 131.12 41.23 Favored 'General case' 0 C--N 1.294 -1.82 0 CA-C-N 110.955 -2.838 . . . . 15.0 110.148 -175.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.59 24.31 56.48 Favored Glycine 0 N--CA 1.447 -0.57 0 N-CA-C 111.052 -0.819 . . . . 15.0 111.052 -174.425 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.65 ' CD1' ' HB2' ' A' ' 14' ' ' PRO . 24.0 m95 -115.46 121.15 41.87 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.759 -0.46 . . . . 15.0 109.759 174.67 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.526 ' HB2' ' CE1' ' A' ' 32' ' ' HIS . 1.5 tm-20 -120.41 133.78 55.37 Favored 'General case' 0 CA--C 1.503 -0.847 0 CA-C-O 121.862 0.839 . . . . 15.0 109.974 -173.667 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.457 HG21 ' CD2' ' A' ' 29' ' ' PHE . 10.7 t -108.23 89.98 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.294 -1.839 0 CA-C-N 113.677 -1.601 . . . . 15.0 110.267 -173.739 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.767 ' O ' ' HA ' ' A' ' 27' ' ' PRO . 5.8 tpp180 -98.21 150.11 21.85 Favored 'General case' 0 C--O 1.213 -0.84 0 CA-C-N 115.909 -0.587 . . . . 15.0 109.805 -177.836 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.69 ' HD2' ' N ' ' A' ' 27' ' ' PRO . 0.8 OUTLIER -114.54 110.92 20.56 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 108.777 -0.823 . . . . 15.0 108.777 -177.049 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.563 ' HB3' ' HD2' ' A' ' 23' ' ' PRO . . . -60.06 163.75 7.42 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 115.936 -0.575 . . . . 15.0 110.616 -178.283 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.563 ' HD2' ' HB3' ' A' ' 22' ' ' ALA . 22.4 Cg_endo -61.52 -18.95 62.63 Favored 'Trans proline' 0 C--N 1.35 0.615 0 C-N-CA 122.503 2.135 . . . . 15.0 113.203 -178.26 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 23.4 p30 -80.33 -10.05 59.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.545 0.688 . . . . 15.0 109.418 175.263 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 83.79 44.2 6.9 Favored Glycine 0 N--CA 1.435 -1.385 0 CA-C-N 114.712 -1.131 . . . . 15.0 112.39 -178.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 24.1 mmm180 -120.64 131.0 24.59 Favored Pre-proline 0 C--N 1.324 -0.517 0 N-CA-C 110.148 -0.316 . . . . 15.0 110.148 172.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.767 ' HA ' ' O ' ' A' ' 20' ' ' ARG . 97.3 Cg_endo -88.3 116.6 0.95 Allowed 'Trans proline' 0 N--CA 1.455 -0.769 0 C-N-CA 121.965 1.777 . . . . 15.0 112.293 176.107 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -103.62 119.62 39.27 Favored 'General case' 0 N--CA 1.437 -1.098 0 CA-C-N 113.478 -1.692 . . . . 15.0 108.936 177.178 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.457 ' CD2' HG21 ' A' ' 19' ' ' VAL . 5.5 m-85 -89.76 121.65 32.11 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.815 -0.63 . . . . 15.0 109.461 -174.379 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.881 ' HB ' ' CE1' ' A' ' 32' ' ' HIS . 16.4 mt -100.61 134.54 40.13 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.054 0 CA-C-N 115.239 -0.891 . . . . 15.0 111.124 -175.235 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.417 ' O ' ' HA ' ' A' ' 35' ' ' LYS . 8.6 t70 -93.61 118.76 31.78 Favored 'General case' 0 C--N 1.312 -1.05 0 N-CA-C 108.078 -1.082 . . . . 15.0 108.078 169.541 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.881 ' CE1' ' HB ' ' A' ' 30' ' ' ILE . 5.4 m80 -97.74 4.05 49.99 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.177 0.513 . . . . 15.0 110.106 -171.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 31.3 m-80 -89.83 -55.06 3.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.432 -0.804 . . . . 15.0 109.919 178.562 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.0 t -108.92 1.71 20.93 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.732 -0.667 . . . . 15.0 110.407 -179.315 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.929 ' HG3' ' HE1' ' B' ' 117' ' ' TYR . 3.6 mppt? 62.56 50.31 3.62 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 115.57 -0.741 . . . . 15.0 111.49 175.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 35.2 p -118.23 129.84 55.72 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.138 -0.483 . . . . 15.0 110.41 177.196 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.917 ' HB ' ' HG2' ' B' ' 114' ' ' PRO . 1.9 p -105.55 140.52 38.51 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.317 -0.401 . . . . 15.0 111.764 -176.437 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 4.4 t -150.01 142.89 24.79 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 109.262 -0.644 . . . . 15.0 109.262 178.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 24.6 m95 -83.15 -30.05 28.15 Favored 'General case' 0 CA--C 1.507 -0.675 0 CA-C-O 121.945 0.878 . . . . 15.0 110.097 -177.333 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.422 ' CD ' ' H ' ' A' ' 40' ' ' GLU . 2.3 pm0 -80.77 124.07 28.75 Favored 'General case' 0 C--N 1.308 -1.23 0 CA-C-N 114.06 -1.427 . . . . 15.0 110.33 -175.163 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -50.6 134.83 26.19 Favored Pre-proline 0 C--N 1.319 -0.72 0 CA-C-N 114.066 -1.424 . . . . 15.0 112.285 -173.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -65.04 -9.92 23.53 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.835 2.356 . . . . 15.0 111.193 172.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.565 HH11 ' HE1' ' A' ' 12' ' ' PHE . 17.9 mtm180 -77.53 -12.76 60.0 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 114.979 -1.01 . . . . 15.0 110.529 179.223 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 85.7 mt -79.82 -9.93 59.72 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 114.861 -1.063 . . . . 15.0 110.677 177.105 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.493 ' HB3' ' HZ2' ' A' ' 45' ' ' LYS . 3.7 mmmp? . . . . . 0 C--N 1.313 -1.005 0 CA-C-N 114.811 -1.086 . . . . 15.0 111.027 -176.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 . . . . . 0 N--CA 1.475 0.778 0 CA-C-O 120.611 0.243 . . . . 15.0 110.5 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 113' ' ' ILE . . . . . 0.43 HD11 ' N ' ' B' ' 113' ' ' ILE . 0.2 OUTLIER -138.32 119.03 10.11 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.375 -0.375 . . . . 15.0 110.775 178.304 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 114' ' ' PRO . . . . . 0.917 ' HG2' ' HB ' ' A' ' 37' ' ' THR . 27.3 Cg_endo -80.7 138.8 12.11 Favored 'Trans proline' 0 N--CA 1.458 -0.617 0 C-N-CA 122.384 2.056 . . . . 15.0 112.516 178.23 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 115' ' ' PRO . . . . . 0.405 ' HA ' ' HD2' ' B' ' 116' ' ' PRO . 73.1 Cg_exo -49.3 127.62 18.25 Favored 'Trans proline' 0 N--CA 1.475 0.414 0 C-N-CA 123.794 2.996 . . . . 15.0 114.539 175.043 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 116' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' B' ' 115' ' ' PRO . 4.7 Cg_endo -49.21 -179.61 0.01 OUTLIER 'Trans proline' 0 N--CA 1.414 -3.194 0 C-N-CA 124.919 3.746 . . . . 15.0 114.401 163.639 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 117' ' ' TYR . . . . . 0.929 ' HE1' ' HG3' ' A' ' 35' ' ' LYS . 41.9 p90 -78.34 132.36 37.39 Favored 'General case' 1 C--N 1.243 -4.055 1 CA-C-N 106.197 -5.001 . . . . 15.0 111.071 -175.801 . . . . . . . . 4 3 . 1 . 006 nuclear orig full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 25.9 t -89.55 -15.78 8.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.566 0.698 . . . . 15.0 109.576 175.229 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 119' ' ' GLU . . . . . 0.462 ' HA ' ' HD3' ' B' ' 120' ' ' PRO . 11.8 pt-20 -140.85 124.05 9.99 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 115.335 -0.848 . . . . 15.0 110.858 -179.366 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 120' ' ' PRO . . . . . 0.462 ' HD3' ' HA ' ' B' ' 119' ' ' GLU . 6.7 Cg_exo . . . . . 0 C--O 1.25 1.081 0 C-N-CA 123.175 2.583 . . . . 15.0 111.386 175.035 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 44.1 p90 . . . . . 0 N--CA 1.484 1.233 0 CA-C-O 120.853 0.359 . . . . 15.0 111.012 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.3 pp -109.98 158.87 33.81 Favored Pre-proline 0 C--N 1.326 -0.438 0 N-CA-C 109.393 -0.595 . . . . 15.0 109.393 177.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.592 ' HB2' ' CD1' ' A' ' 17' ' ' TRP . 39.5 Cg_exo -49.71 150.94 8.39 Favored 'Trans proline' 0 CA--C 1.495 -1.47 0 C-N-CA 124.081 3.187 . . . . 15.0 116.142 -176.565 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -72.77 140.37 47.69 Favored 'General case' 0 C--N 1.288 -2.068 0 CA-C-N 111.142 -2.753 . . . . 15.0 109.706 -174.396 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.25 -5.4 67.51 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 121.055 -0.593 . . . . 15.0 111.81 -177.007 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.592 ' CD1' ' HB2' ' A' ' 14' ' ' PRO . 35.9 m95 -90.03 110.24 21.23 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.229 -0.656 . . . . 15.0 109.229 175.559 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.626 ' O ' ' HA ' ' A' ' 29' ' ' PHE . 18.5 mm-40 -108.19 145.01 34.83 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-O 122.009 0.909 . . . . 15.0 112.545 -172.507 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.501 HG22 ' CD2' ' A' ' 29' ' ' PHE . 11.5 t -115.33 105.3 18.29 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.18 0 CA-C-N 113.568 -1.651 . . . . 15.0 109.585 179.609 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.705 ' O ' ' HA ' ' A' ' 27' ' ' PRO . 15.6 ttm180 -127.69 150.06 49.94 Favored 'General case' 0 C--N 1.319 -0.747 0 C-N-CA 120.698 -0.401 . . . . 15.0 110.093 179.048 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.702 ' HD2' ' N ' ' A' ' 27' ' ' PRO . 0.3 OUTLIER -95.38 118.17 31.64 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 109.738 -0.467 . . . . 15.0 109.738 -179.806 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.39 161.9 65.86 Favored Pre-proline 0 C--N 1.32 -0.713 0 N-CA-C 109.304 -0.628 . . . . 15.0 109.304 172.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_exo -58.14 -14.91 20.98 Favored 'Trans proline' 0 C--N 1.348 0.538 0 C-N-CA 122.876 2.384 . . . . 15.0 113.914 -175.298 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 30.7 p-10 -80.42 -13.23 59.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.284 0.564 . . . . 15.0 109.71 178.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 96.8 28.52 8.76 Favored Glycine 0 N--CA 1.439 -1.104 0 CA-C-N 115.471 -0.786 . . . . 15.0 112.885 179.208 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.54 ' C ' ' HD2' ' A' ' 21' ' ' HIS . 6.0 mmp_? -123.38 141.32 35.88 Favored Pre-proline 0 C--O 1.221 -0.44 0 CA-C-O 120.735 0.302 . . . . 15.0 111.253 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.705 ' HA ' ' O ' ' A' ' 20' ' ' ARG . 85.9 Cg_endo -88.06 113.78 0.83 Allowed 'Trans proline' 0 N--CA 1.459 -0.521 0 C-N-CA 122.506 2.137 . . . . 15.0 112.204 174.535 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.52 ' HD1' ' H ' ' A' ' 28' ' ' PHE . 0.3 OUTLIER -99.78 124.95 45.58 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-N 113.772 -1.558 . . . . 15.0 108.38 175.181 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.626 ' HA ' ' O ' ' A' ' 18' ' ' GLU . 12.1 m-85 -89.72 113.0 24.44 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-O 121.46 0.647 . . . . 15.0 109.4 -175.136 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.771 HG21 ' HB3' ' B' ' 117' ' ' TYR . 21.4 mt -96.26 131.59 42.66 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.973 0 CA-C-N 115.024 -0.989 . . . . 15.0 110.556 -177.83 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -90.41 105.56 17.9 Favored 'General case' 0 C--N 1.302 -1.48 0 CA-C-N 115.134 -0.939 . . . . 15.0 108.769 172.366 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.486 ' HE2' ' HB ' ' A' ' 30' ' ' ILE . 11.0 m170 -87.77 2.12 52.09 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.403 -0.817 . . . . 15.0 110.094 -176.45 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 25.4 m-80 -89.27 -66.17 0.95 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.653 -0.703 . . . . 15.0 110.316 179.014 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.98 -1.81 31.05 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.716 -0.675 . . . . 15.0 111.002 -174.01 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.682 ' HG3' ' HE1' ' B' ' 117' ' ' TYR . 0.0 OUTLIER 66.5 85.61 0.14 Allowed 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.521 -0.763 . . . . 15.0 110.573 -177.242 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -146.13 150.32 35.68 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 114.873 -1.058 . . . . 15.0 108.688 -178.398 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 1.019 ' HB ' ' HB2' ' B' ' 114' ' ' PRO . 20.1 p -132.38 131.49 41.9 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-O 121.111 0.482 . . . . 15.0 112.045 -178.534 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.409 ' OG1' ' HG3' ' A' ' 40' ' ' GLU . 11.3 t -150.17 150.29 31.42 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.79 -0.641 . . . . 15.0 109.926 -179.081 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 70.4 m95 -89.04 -11.37 44.33 Favored 'General case' 0 CA--C 1.512 -0.482 0 C-N-CA 120.912 -0.315 . . . . 15.0 110.617 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.409 ' HG3' ' OG1' ' A' ' 38' ' ' THR . 0.9 OUTLIER -101.84 158.12 16.35 Favored 'General case' 0 N--CA 1.442 -0.871 0 CA-C-O 121.393 0.616 . . . . 15.0 111.812 -170.513 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.707 ' HB3' ' HG2' ' A' ' 43' ' ' ARG . 2.3 m-20 -84.74 127.58 64.57 Favored Pre-proline 0 C--N 1.322 -0.621 0 CA-C-N 115.051 -0.977 . . . . 15.0 111.256 -171.261 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.764 ' HA ' ' HE2' ' A' ' 45' ' ' LYS . 23.4 Cg_endo -62.25 -9.75 16.14 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.872 2.381 . . . . 15.0 112.695 176.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.707 ' HG2' ' HB3' ' A' ' 41' ' ' ASP . 19.8 ptt180 -78.24 -19.4 53.83 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.842 0.353 . . . . 15.0 110.48 176.474 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 83.0 mt -80.47 -9.54 59.76 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-O 121.575 0.702 . . . . 15.0 111.044 178.592 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.764 ' HE2' ' HA ' ' A' ' 42' ' ' PRO . 41.4 pttt . . . . . 0 C--N 1.31 -1.134 0 CA-C-N 114.886 -1.052 . . . . 15.0 110.781 -176.377 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 . . . . . 0 N--CA 1.477 0.921 0 CA-C-O 121.138 0.494 . . . . 15.0 110.291 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 77.3 mt -133.31 114.78 13.67 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-N 115.77 -0.65 . . . . 15.0 109.945 -178.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 114' ' ' PRO . . . . . 1.019 ' HB2' ' HB ' ' A' ' 37' ' ' THR . 23.7 Cg_exo -63.32 127.28 19.64 Favored 'Trans proline' 0 CA--C 1.531 0.362 0 C-N-CA 122.51 2.14 . . . . 15.0 112.205 177.337 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 115' ' ' PRO . . . . . 0.411 ' HA ' ' HD2' ' B' ' 116' ' ' PRO . 38.9 Cg_exo -60.57 130.81 35.03 Favored 'Trans proline' 0 CA--C 1.531 0.353 0 C-N-CA 122.975 2.45 . . . . 15.0 112.986 172.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 116' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' B' ' 115' ' ' PRO . 7.3 Cg_endo -49.38 -179.26 0.01 OUTLIER 'Trans proline' 0 N--CA 1.416 -3.078 0 C-N-CA 124.963 3.775 . . . . 15.0 115.384 167.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 117' ' ' TYR . . . . . 0.771 ' HB3' HG21 ' A' ' 30' ' ' ILE . 41.1 p90 -74.5 127.41 32.99 Favored 'General case' 1 C--N 1.244 -4.006 1 CA-C-N 105.856 -5.156 . . . . 15.0 110.067 -179.453 . . . . . . . . 4 3 . 1 . 007 nuclear orig full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 28.6 m -89.47 -0.49 8.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.223 0.535 . . . . 15.0 109.776 173.684 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 119' ' ' GLU . . . . . 0.427 ' CD ' HH22 ' A' ' 20' ' ' ARG . 11.8 pt-20 -157.65 132.27 5.29 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 115.151 -0.931 . . . . 15.0 109.717 -179.236 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 120' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_endo . . . . . 0 C--O 1.25 1.122 0 C-N-CA 123.041 2.494 . . . . 15.0 112.794 -177.761 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 19.0 p90 . . . . . 0 N--CA 1.479 0.991 0 CA-C-O 121.296 0.57 . . . . 15.0 111.011 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.1 mp -120.16 140.52 30.1 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 116.116 -0.493 . . . . 15.0 110.318 174.505 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.704 ' HB2' ' CD1' ' A' ' 17' ' ' TRP . 8.8 Cg_exo -49.93 151.11 8.86 Favored 'Trans proline' 0 CA--C 1.495 -1.473 0 C-N-CA 123.608 2.872 . . . . 15.0 114.638 168.354 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.73 119.8 8.85 Favored 'General case' 0 C--N 1.287 -2.126 0 CA-C-N 111.522 -2.581 . . . . 15.0 110.793 -172.507 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 86.45 5.26 82.45 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 121.155 -0.545 . . . . 15.0 112.746 178.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.704 ' CD1' ' HB2' ' A' ' 14' ' ' PRO . 31.9 m95 -92.33 124.37 36.34 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.091 0.472 . . . . 15.0 110.365 176.209 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.539 ' O ' ' HA ' ' A' ' 29' ' ' PHE . 36.7 mm-40 -124.92 149.96 47.06 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.642 -0.708 . . . . 15.0 112.169 -174.147 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.57 HG22 ' CD2' ' A' ' 29' ' ' PHE . 11.7 t -118.31 107.39 21.72 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.866 0 CA-C-N 115.329 -0.851 . . . . 15.0 110.234 178.438 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.623 ' O ' ' HA ' ' A' ' 27' ' ' PRO . 24.2 ttm180 -117.89 140.44 49.7 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.605 -0.517 . . . . 15.0 109.605 177.517 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.688 ' HD2' ' N ' ' A' ' 27' ' ' PRO . 0.1 OUTLIER -93.07 112.02 23.84 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.434 -0.951 . . . . 15.0 108.434 176.77 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.548 ' HB1' ' HD2' ' A' ' 23' ' ' PRO . . . -65.22 161.8 45.98 Favored Pre-proline 0 C--N 1.322 -0.591 0 N-CA-C 109.989 -0.375 . . . . 15.0 109.989 178.33 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.548 ' HD2' ' HB1' ' A' ' 22' ' ' ALA . 11.7 Cg_endo -56.63 -18.97 28.18 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.744 2.296 . . . . 15.0 113.465 -177.432 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 30.4 p-10 -80.33 -11.36 59.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.329 0.585 . . . . 15.0 109.598 179.555 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 94.22 27.33 12.25 Favored Glycine 0 N--CA 1.438 -1.168 0 CA-C-N 115.084 -0.962 . . . . 15.0 112.9 177.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.495 ' C ' ' HD2' ' A' ' 21' ' ' HIS . 24.2 mmm180 -117.77 136.19 23.6 Favored Pre-proline 0 C--N 1.326 -0.456 0 CA-C-O 120.609 0.242 . . . . 15.0 110.832 177.655 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.688 ' N ' ' HD2' ' A' ' 21' ' ' HIS . 95.0 Cg_endo -88.39 114.63 0.81 Allowed 'Trans proline' 0 N--CA 1.457 -0.646 0 C-N-CA 122.346 2.031 . . . . 15.0 111.845 174.74 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.58 ' HB2' ' HB3' ' B' ' 114' ' ' PRO . 0.4 OUTLIER -104.03 124.26 48.7 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 113.931 -1.486 . . . . 15.0 108.904 177.859 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.57 ' CD2' HG22 ' A' ' 19' ' ' VAL . 5.8 m-85 -89.78 113.84 25.45 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.644 -0.707 . . . . 15.0 109.298 -174.447 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.624 HG23 ' HB3' ' B' ' 117' ' ' TYR . 26.1 mt -95.02 131.15 42.62 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.911 0 CA-C-N 115.163 -0.926 . . . . 15.0 110.801 -176.289 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -92.67 105.74 17.84 Favored 'General case' 0 C--N 1.307 -1.243 0 CA-C-N 114.903 -1.044 . . . . 15.0 108.379 168.61 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.511 ' CE1' ' HB2' ' B' ' 117' ' ' TYR . 11.6 m170 -82.92 -0.92 50.72 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 114.921 -1.036 . . . . 15.0 110.85 -172.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 13.6 m-80 -90.2 -49.94 6.27 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.949 0.404 . . . . 15.0 110.944 -179.709 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -106.24 4.82 29.25 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.336 -0.393 . . . . 15.0 110.848 -175.594 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.778 ' HG3' ' HE1' ' B' ' 117' ' ' TYR . 0.0 OUTLIER 66.35 24.62 10.52 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 115.798 -0.637 . . . . 15.0 111.214 178.808 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 71.0 p -99.3 150.06 22.5 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.472 -0.331 . . . . 15.0 110.144 -175.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 1.027 ' HB ' ' HB2' ' B' ' 114' ' ' PRO . 1.8 p -132.48 143.72 49.96 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.956 0.407 . . . . 15.0 111.869 -176.011 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -150.15 150.33 31.49 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 115.889 -0.596 . . . . 15.0 109.921 -176.851 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 97.2 m95 -88.93 -20.7 24.18 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-O 121.154 0.502 . . . . 15.0 111.947 -172.433 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.447 ' CD ' ' H ' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -117.41 132.77 56.51 Favored 'General case' 0 C--N 1.309 -1.19 0 CA-C-N 115.718 -0.674 . . . . 15.0 111.908 -165.612 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -39.13 135.4 1.06 Allowed Pre-proline 0 N--CA 1.467 0.416 0 CA-C-N 114.254 -1.339 . . . . 15.0 113.434 -170.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.553 ' HA ' ' HE2' ' A' ' 45' ' ' LYS . 35.0 Cg_endo -65.84 -9.87 24.64 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.725 2.283 . . . . 15.0 111.12 172.19 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 70.7 mtt85 -72.82 -17.18 61.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.438 -0.801 . . . . 15.0 109.99 177.435 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 92.1 mt -79.84 -9.92 59.72 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.372 -0.831 . . . . 15.0 110.669 178.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.553 ' HE2' ' HA ' ' A' ' 42' ' ' PRO . 3.6 mppt? . . . . . 0 C--N 1.309 -1.182 0 CA-C-N 114.765 -1.107 . . . . 15.0 109.778 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 . . . . . 0 N--CA 1.48 1.06 0 CA-C-O 121.244 0.545 . . . . 15.0 110.894 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 19.1 pt -134.21 113.3 12.34 Favored Pre-proline 0 C--N 1.322 -0.593 0 CA-C-N 115.822 -0.626 . . . . 15.0 110.519 179.349 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 114' ' ' PRO . . . . . 1.027 ' HB2' ' HB ' ' A' ' 37' ' ' THR . 22.8 Cg_exo -63.22 126.79 18.57 Favored 'Trans proline' 0 CA--C 1.529 0.272 0 C-N-CA 122.303 2.002 . . . . 15.0 111.772 177.04 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 115' ' ' PRO . . . . . 0.406 ' HA ' ' HD2' ' B' ' 116' ' ' PRO . 52.8 Cg_exo -56.39 128.65 30.97 Favored 'Trans proline' 0 N--CA 1.472 0.262 0 C-N-CA 122.779 2.319 . . . . 15.0 112.724 174.599 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 116' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' B' ' 115' ' ' PRO . 7.0 Cg_endo -49.36 -179.47 0.01 OUTLIER 'Trans proline' 0 N--CA 1.413 -3.253 0 C-N-CA 124.533 3.489 . . . . 15.0 114.854 169.335 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 117' ' ' TYR . . . . . 0.778 ' HE1' ' HG3' ' A' ' 35' ' ' LYS . 12.9 p90 -76.06 143.01 41.61 Favored 'General case' 1 C--N 1.24 -4.156 1 CA-C-N 105.818 -5.173 . . . . 15.0 110.007 -179.089 . . . . . . . . 4 3 . 1 . 008 nuclear orig full ' B' B ' 118' ' ' VAL . . . . . 0.49 HG22 HH22 ' A' ' 20' ' ' ARG . 21.2 t -112.5 -13.02 11.52 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.813 0 N-CA-C 108.02 -1.104 . . . . 15.0 108.02 174.386 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -120.41 121.01 29.52 Favored Pre-proline 0 N--CA 1.442 -0.868 0 CA-C-N 114.019 -1.446 . . . . 15.0 109.888 -177.507 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 120' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo . . . . . 0 C--O 1.251 1.146 0 C-N-CA 122.7 2.267 . . . . 15.0 112.381 179.84 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 49.9 p90 . . . . . 0 N--CA 1.481 1.116 0 CA-C-O 120.48 0.181 . . . . 15.0 111.462 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.3 mp -94.83 141.01 22.75 Favored Pre-proline 0 C--O 1.234 0.273 0 CA-C-O 120.862 0.363 . . . . 15.0 111.052 178.504 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.713 ' HB2' ' CD1' ' A' ' 17' ' ' TRP . 8.3 Cg_exo -49.11 150.88 6.62 Favored 'Trans proline' 0 CA--C 1.494 -1.482 0 C-N-CA 124.866 3.711 . . . . 15.0 116.169 174.47 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -68.06 126.84 30.78 Favored 'General case' 0 C--N 1.291 -1.951 0 CA-C-N 111.327 -2.669 . . . . 15.0 110.543 -175.102 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.93 19.79 56.99 Favored Glycine 0 N--CA 1.447 -0.63 0 N-CA-C 111.587 -0.605 . . . . 15.0 111.587 -178.076 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.713 ' CD1' ' HB2' ' A' ' 14' ' ' PRO . 54.1 m95 -112.54 116.72 30.68 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.691 -0.485 . . . . 15.0 109.691 175.021 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.52 ' HB2' ' CE1' ' A' ' 32' ' ' HIS . 1.3 tm-20 -120.2 130.5 54.58 Favored 'General case' 0 CA--C 1.497 -1.085 0 CA-C-O 122.1 0.952 . . . . 15.0 109.53 -174.33 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.542 HG22 ' CD2' ' A' ' 29' ' ' PHE . 16.6 t -105.88 110.37 31.06 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.927 0 CA-C-N 112.958 -1.928 . . . . 15.0 110.213 -175.53 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.765 ' O ' ' HA ' ' A' ' 27' ' ' PRO . 18.3 ttm180 -132.3 146.59 52.09 Favored 'General case' 0 C--N 1.313 -1.001 0 C-N-CA 120.577 -0.449 . . . . 15.0 110.456 -178.514 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.735 ' HD2' ' N ' ' A' ' 27' ' ' PRO . 0.0 OUTLIER -94.68 114.43 26.36 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 108.536 -0.912 . . . . 15.0 108.536 178.621 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.571 ' HB1' ' HD2' ' A' ' 23' ' ' PRO . . . -74.56 166.87 41.38 Favored Pre-proline 0 C--N 1.317 -0.815 0 CA-C-N 116.176 -0.465 . . . . 15.0 110.003 178.663 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.571 ' HD2' ' HB1' ' A' ' 22' ' ' ALA . 12.8 Cg_endo -57.69 -9.9 6.32 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 123.054 2.503 . . . . 15.0 112.817 176.14 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 47.5 t30 -80.0 -12.13 59.73 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 108.907 -0.775 . . . . 15.0 108.907 177.314 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 89.64 8.43 67.74 Favored Glycine 0 N--CA 1.443 -0.871 0 CA-C-N 115.364 -0.835 . . . . 15.0 112.155 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.434 ' C ' ' HD2' ' A' ' 21' ' ' HIS . 9.3 mmm180 -110.74 144.0 29.37 Favored Pre-proline 0 C--N 1.32 -0.68 0 CA-C-N 115.435 -0.382 . . . . 15.0 111.114 -177.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.765 ' HA ' ' O ' ' A' ' 20' ' ' ARG . 93.7 Cg_endo -88.5 116.51 0.9 Allowed 'Trans proline' 0 N--CA 1.454 -0.832 0 C-N-CA 122.52 2.147 . . . . 15.0 111.298 171.361 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.534 ' HD1' ' H ' ' A' ' 28' ' ' PHE . 0.2 OUTLIER -100.32 121.96 42.33 Favored 'General case' 0 C--N 1.311 -1.093 0 CA-C-N 114.133 -1.394 . . . . 15.0 108.496 176.622 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.542 ' CD2' HG22 ' A' ' 19' ' ' VAL . 6.2 m-85 -89.87 113.19 24.75 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 108.614 -0.884 . . . . 15.0 108.614 -176.554 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.981 ' HB ' ' CE1' ' A' ' 32' ' ' HIS . 8.6 mt -94.88 136.89 24.67 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.126 0 CA-C-N 115.136 -0.938 . . . . 15.0 111.472 -172.5 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.439 ' HB3' ' HB ' ' A' ' 36' ' ' THR . 0.9 OUTLIER -93.99 113.33 25.3 Favored 'General case' 0 C--N 1.312 -1.042 0 CA-C-N 114.875 -1.057 . . . . 15.0 109.216 170.691 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.981 ' CE1' ' HB ' ' A' ' 30' ' ' ILE . 13.6 m80 -99.68 0.54 42.11 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.992 -1.004 . . . . 15.0 110.129 -172.203 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 19.1 m-80 -78.04 -35.45 49.71 Favored 'General case' 0 CA--C 1.516 -0.356 0 N-CA-C 109.089 -0.708 . . . . 15.0 109.089 177.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.756 HG22 ' HG3' ' A' ' 35' ' ' LYS . 56.3 m -125.04 -78.13 0.6 Allowed 'General case' 0 N--CA 1.444 -0.762 0 CA-C-N 115.03 -0.986 . . . . 15.0 110.425 177.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.756 ' HG3' HG22 ' A' ' 34' ' ' THR . 0.1 OUTLIER 171.31 29.84 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.451 0.7 . . . . 15.0 110.456 -179.349 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.439 ' HB ' ' HB3' ' A' ' 31' ' ' ASP . 0.9 OUTLIER -90.87 150.63 21.46 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.193 -0.458 . . . . 15.0 109.884 -170.377 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.948 ' HB ' ' HB2' ' B' ' 114' ' ' PRO . 4.3 p -139.37 139.27 37.15 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-O 121.234 0.54 . . . . 15.0 111.991 -177.862 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.447 ' OG1' ' HG3' ' A' ' 40' ' ' GLU . 9.7 t -150.22 150.23 31.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.485 -0.78 . . . . 15.0 109.998 -179.266 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 65.4 m95 -91.44 -10.15 42.01 Favored 'General case' 0 CA--C 1.516 -0.363 0 C-N-CA 120.746 -0.382 . . . . 15.0 111.104 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.447 ' HG3' ' OG1' ' A' ' 38' ' ' THR . 0.2 OUTLIER -101.99 160.44 14.49 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-O 121.383 0.611 . . . . 15.0 111.869 -170.5 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.824 ' HB3' ' HG2' ' A' ' 43' ' ' ARG . 2.1 m-20 -86.5 127.75 59.59 Favored Pre-proline 0 C--N 1.324 -0.512 0 CA-C-N 115.185 -0.916 . . . . 15.0 111.801 -170.334 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_endo -66.42 -9.98 25.99 Favored 'Trans proline' 0 CA--C 1.53 0.299 0 C-N-CA 122.954 2.436 . . . . 15.0 112.219 176.385 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.824 ' HG2' ' HB3' ' A' ' 41' ' ' ASP . 28.3 ptt85 -78.9 -16.25 57.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.064 -0.516 . . . . 15.0 110.709 177.458 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 85.5 mt -80.23 -9.58 59.73 Favored 'General case' 0 CA--C 1.518 -0.254 0 CA-C-O 121.785 0.802 . . . . 15.0 110.662 178.664 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.546 ' NZ ' ' HB3' ' A' ' 45' ' ' LYS . 0.6 OUTLIER . . . . . 0 C--O 1.251 1.132 0 CA-C-N 114.005 -1.452 . . . . 15.0 109.995 179.145 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 22.8 mp0 . . . . . 0 N--CA 1.482 1.171 0 N-CA-C 109.986 -0.376 . . . . 15.0 109.986 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 3.3 mp -98.14 114.38 65.08 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.703 -0.226 . . . . 15.0 110.691 -178.549 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 114' ' ' PRO . . . . . 0.948 ' HB2' ' HB ' ' A' ' 37' ' ' THR . 13.9 Cg_exo -68.0 130.1 20.92 Favored 'Trans proline' 0 CA--C 1.534 0.519 0 C-N-CA 122.568 2.179 . . . . 15.0 112.43 176.224 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 115' ' ' PRO . . . . . 0.423 ' HA ' ' HD2' ' B' ' 116' ' ' PRO . 49.4 Cg_exo -60.58 132.77 44.86 Favored 'Trans proline' 0 N--CA 1.476 0.486 0 C-N-CA 123.079 2.519 . . . . 15.0 113.393 172.283 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 116' ' ' PRO . . . . . 0.423 ' HD2' ' HA ' ' B' ' 115' ' ' PRO . 6.4 Cg_endo -49.19 -179.3 0.01 OUTLIER 'Trans proline' 0 N--CA 1.416 -3.061 0 C-N-CA 124.938 3.758 . . . . 15.0 114.681 165.201 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 117' ' ' TYR . . . . . 0.556 ' HB3' HG21 ' A' ' 30' ' ' ILE . 51.6 p90 -82.68 157.72 23.23 Favored 'General case' 1 C--N 1.242 -4.105 1 CA-C-N 106.195 -5.002 . . . . 15.0 110.657 -177.651 . . . . . . . . 4 3 . 1 . 009 nuclear orig full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 8.7 p -129.67 -1.96 2.8 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-N 115.805 -0.634 . . . . 15.0 109.725 -177.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -77.46 115.88 53.16 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-N 115.608 -0.723 . . . . 15.0 110.343 -178.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 120' ' ' PRO . . . . . . . . . . . . . 21.5 Cg_exo . . . . . 0 C--O 1.251 1.149 0 C-N-CA 122.923 2.415 . . . . 15.0 111.437 175.501 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 40.0 p90 . . . . . 0 N--CA 1.48 1.064 0 CA-C-O 120.695 0.283 . . . . 15.0 110.983 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.3 mp -95.74 160.14 30.92 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 120.792 0.329 . . . . 15.0 111.541 -178.411 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.654 ' HB2' ' CD1' ' A' ' 17' ' ' TRP . 6.5 Cg_exo -49.49 151.15 7.48 Favored 'Trans proline' 0 CA--C 1.502 -1.115 0 C-N-CA 124.925 3.75 . . . . 15.0 115.988 170.315 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.6 tppp? -60.94 122.22 14.36 Favored 'General case' 0 C--N 1.294 -1.809 0 CA-C-N 111.41 -2.632 . . . . 15.0 110.964 -172.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 88.35 -1.55 84.38 Favored Glycine 0 N--CA 1.451 -0.338 0 CA-C-N 116.035 -0.53 . . . . 15.0 112.334 179.159 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.654 ' CD1' ' HB2' ' A' ' 14' ' ' PRO . 46.5 m95 -89.97 115.79 27.53 Favored 'General case' 0 CA--C 1.511 -0.535 0 CA-C-O 121.36 0.6 . . . . 15.0 110.015 175.681 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.652 ' O ' ' HA ' ' A' ' 29' ' ' PHE . 1.2 mm-40 -108.06 148.33 29.94 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-N 115.421 -0.808 . . . . 15.0 111.531 -177.821 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.471 HG22 ' CD2' ' A' ' 29' ' ' PHE . 5.2 t -122.52 91.88 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.304 0 CA-C-N 114.313 -1.312 . . . . 15.0 108.756 178.545 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.71 ' O ' ' HA ' ' A' ' 27' ' ' PRO . 33.3 ttm-85 -107.28 149.16 28.09 Favored 'General case' 0 C--N 1.314 -0.936 0 C-N-CA 119.981 -0.688 . . . . 15.0 110.059 -178.392 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.638 ' HD2' ' N ' ' A' ' 27' ' ' PRO . 0.2 OUTLIER -105.27 109.83 21.96 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 108.4 -0.963 . . . . 15.0 108.4 -174.813 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.604 ' HB3' ' HD2' ' A' ' 23' ' ' PRO . . . -61.76 163.74 11.75 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 116.194 -0.457 . . . . 15.0 110.465 -179.804 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.604 ' HD2' ' HB3' ' A' ' 22' ' ' ALA . 18.7 Cg_endo -59.17 -18.79 46.13 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 122.595 2.196 . . . . 15.0 113.37 -178.021 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 15.4 p30 -80.44 -10.0 59.75 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.556 0.694 . . . . 15.0 109.755 176.61 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 88.13 42.03 6.06 Favored Glycine 0 N--CA 1.438 -1.209 0 CA-C-N 115.077 -0.965 . . . . 15.0 112.466 178.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.529 ' C ' ' HD2' ' A' ' 21' ' ' HIS . 16.8 mmt180 -128.54 136.33 28.94 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 120.611 0.243 . . . . 15.0 110.929 177.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.71 ' HA ' ' O ' ' A' ' 20' ' ' ARG . 83.5 Cg_endo -88.15 115.24 0.9 Allowed 'Trans proline' 0 N--CA 1.462 -0.329 0 C-N-CA 122.398 2.065 . . . . 15.0 112.567 176.258 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.5 ' HB3' ' CZ3' ' A' ' 39' ' ' TRP . 0.9 OUTLIER -104.88 123.23 47.36 Favored 'General case' 0 N--CA 1.44 -0.944 0 CA-C-N 113.804 -1.543 . . . . 15.0 108.632 175.773 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.652 ' HA ' ' O ' ' A' ' 18' ' ' GLU . 12.1 m-85 -89.85 118.98 29.84 Favored 'General case' 0 N--CA 1.442 -0.857 0 CA-C-N 115.743 -0.662 . . . . 15.0 109.621 -174.02 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.738 HG22 ' HB3' ' B' ' 117' ' ' TYR . 29.9 mt -101.78 128.95 53.76 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.08 0 CA-C-N 115.347 -0.842 . . . . 15.0 110.346 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.431 ' HB3' ' HG1' ' A' ' 36' ' ' THR . 62.6 t0 -90.86 104.25 16.86 Favored 'General case' 0 C--N 1.308 -1.229 0 N-CA-C 107.636 -1.246 . . . . 15.0 107.636 169.705 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.503 ' HE1' ' OE2' ' B' ' 119' ' ' GLU . 11.9 m170 -79.47 -3.09 45.01 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 114.809 -1.087 . . . . 15.0 110.69 -172.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 21.0 m-80 -89.92 -52.75 4.82 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.238 0.542 . . . . 15.0 110.394 175.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.4 m -96.65 -1.62 46.34 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 115.565 -0.743 . . . . 15.0 111.786 -173.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.73 ' HG3' ' HE1' ' B' ' 117' ' ' TYR . 12.9 mptt 65.95 23.43 11.23 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-O 120.922 0.391 . . . . 15.0 110.745 -179.495 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.431 ' HG1' ' HB3' ' A' ' 31' ' ' ASP . 23.2 p -102.97 128.0 49.97 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.297 -0.411 . . . . 15.0 111.029 -174.543 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.654 ' HB ' ' HB2' ' B' ' 114' ' ' PRO . 6.8 p -108.83 136.55 48.2 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.163 0.506 . . . . 15.0 111.49 -178.364 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.668 ' OG1' ' HG3' ' A' ' 40' ' ' GLU . 5.7 t -149.16 150.05 32.02 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.915 -0.584 . . . . 15.0 110.352 -176.451 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.5 ' CZ3' ' HB3' ' A' ' 28' ' ' PHE . 45.3 m95 -93.82 -7.93 41.93 Favored 'General case' 0 CA--C 1.508 -0.665 0 CA-C-O 121.017 0.436 . . . . 15.0 110.197 179.229 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.668 ' HG3' ' OG1' ' A' ' 38' ' ' THR . 1.2 pp20? -91.21 151.86 20.77 Favored 'General case' 0 N--CA 1.437 -1.109 0 C-N-CA 120.024 -0.671 . . . . 15.0 109.993 -175.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -101.72 129.14 27.26 Favored Pre-proline 0 C--N 1.314 -0.946 0 CA-C-N 115.19 -0.914 . . . . 15.0 111.01 -162.392 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_endo -65.38 -13.7 41.13 Favored 'Trans proline' 0 CA--C 1.531 0.351 0 C-N-CA 122.725 2.284 . . . . 15.0 113.293 -179.04 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 4.2 ptp180 -79.11 -17.19 55.54 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.631 0.729 . . . . 15.0 109.62 177.534 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 83.6 mt -74.81 -9.64 58.74 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 114.974 -1.012 . . . . 15.0 110.698 178.466 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.541 ' HB2' ' HZ2' ' A' ' 45' ' ' LYS . 4.1 ttmp? . . . . . 0 C--N 1.312 -1.05 0 CA-C-N 114.591 -1.186 . . . . 15.0 109.463 177.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.479 0.999 0 N-CA-C 109.289 -0.634 . . . . 15.0 109.289 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 13.4 tt -66.28 117.53 44.31 Favored Pre-proline 0 CA--C 1.539 0.53 0 CA-C-O 120.977 0.418 . . . . 15.0 112.096 -176.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 114' ' ' PRO . . . . . 0.654 ' HB2' ' HB ' ' A' ' 37' ' ' THR . 5.0 Cg_exo -73.99 138.87 26.34 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.433 2.089 . . . . 15.0 111.892 172.154 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 115' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_exo -54.5 125.16 18.04 Favored 'Trans proline' 0 CA--C 1.53 0.325 0 C-N-CA 123.044 2.496 . . . . 15.0 113.243 173.272 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 7.6 Cg_endo -49.02 -179.65 0.01 OUTLIER 'Trans proline' 0 N--CA 1.415 -3.11 0 C-N-CA 125.202 3.935 . . . . 15.0 115.233 167.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 117' ' ' TYR . . . . . 0.738 ' HB3' HG22 ' A' ' 30' ' ' ILE . 30.1 p90 -79.22 132.42 36.5 Favored 'General case' 1 C--N 1.244 -4.005 1 CA-C-N 105.77 -5.196 . . . . 15.0 110.14 179.804 . . . . . . . . 4 3 . 1 . 010 nuclear orig full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 28.2 m -110.3 -9.99 11.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-O 121.131 0.491 . . . . 15.0 110.216 178.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 119' ' ' GLU . . . . . 0.503 ' OE2' ' HE1' ' A' ' 32' ' ' HIS . 2.8 mp0 -71.07 116.1 43.17 Favored Pre-proline 0 C--N 1.326 -0.446 0 CA-C-N 115.469 -0.787 . . . . 15.0 110.652 179.444 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 120' ' ' PRO . . . . . 0.481 ' HD3' ' HA ' ' B' ' 119' ' ' GLU . 7.8 Cg_exo . . . . . 0 C--O 1.247 0.929 0 C-N-CA 123.309 2.673 . . . . 15.0 112.041 -177.569 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 55.7 p90 . . . . . 0 N--CA 1.482 1.173 0 CA-C-O 120.949 0.404 . . . . 15.0 111.032 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.633 HD11 HG22 ' A' ' 19' ' ' VAL . 47.3 mt -83.76 149.23 56.45 Favored Pre-proline 0 C--N 1.321 -0.634 0 CA-C-O 121.33 0.586 . . . . 15.0 111.976 -175.763 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.702 ' HB2' ' CD1' ' A' ' 17' ' ' TRP . 0.8 OUTLIER -49.55 151.07 7.73 Favored 'Trans proline' 0 CA--C 1.494 -1.477 0 C-N-CA 123.676 2.917 . . . . 15.0 113.872 160.864 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 44.8 tptt -59.06 122.6 14.15 Favored 'General case' 0 C--N 1.283 -2.293 0 CA-C-N 111.48 -2.6 . . . . 15.0 110.702 -172.013 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 83.07 8.7 85.27 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 121.165 -0.54 . . . . 15.0 112.722 176.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.702 ' CD1' ' HB2' ' A' ' 14' ' ' PRO . 25.8 m95 -89.97 140.35 29.71 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.359 0.6 . . . . 15.0 110.784 176.577 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.731 ' O ' ' HA ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -129.52 150.09 51.01 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.074 -0.966 . . . . 15.0 110.446 -176.177 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.633 HG22 HD11 ' A' ' 13' ' ' LEU . 19.4 t -130.87 90.47 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.296 -1.747 0 CA-C-N 114.401 -1.272 . . . . 15.0 108.656 175.413 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.697 ' O ' ' HA ' ' A' ' 27' ' ' PRO . 26.2 ttm180 -117.09 147.02 42.76 Favored 'General case' 0 C--N 1.314 -0.944 0 C-N-CA 120.43 -0.508 . . . . 15.0 109.933 -178.089 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.744 ' HD2' ' N ' ' A' ' 27' ' ' PRO . 2.9 m170 -94.65 119.34 33.13 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 109.275 -0.639 . . . . 15.0 109.275 178.379 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.585 ' HB2' ' HD2' ' A' ' 23' ' ' PRO . . . -69.92 164.71 49.28 Favored Pre-proline 0 C--N 1.32 -0.676 0 N-CA-C 109.614 -0.513 . . . . 15.0 109.614 174.57 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.585 ' HD2' ' HB2' ' A' ' 22' ' ' ALA . 15.9 Cg_endo -58.09 -12.13 11.94 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 122.542 2.161 . . . . 15.0 113.347 -179.207 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 21.0 p30 -80.45 -15.52 56.58 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.305 0.574 . . . . 15.0 109.979 177.242 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 97.27 22.81 15.98 Favored Glycine 0 N--CA 1.439 -1.124 0 CA-C-N 115.629 -0.714 . . . . 15.0 112.922 177.571 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.581 ' C ' ' HD2' ' A' ' 21' ' ' HIS . 26.4 mmm180 -122.86 143.82 41.35 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 122.647 -0.325 . . . . 15.0 111.298 -178.411 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.744 ' N ' ' HD2' ' A' ' 21' ' ' HIS . 82.6 Cg_endo -88.5 120.33 1.21 Allowed 'Trans proline' 0 N--CA 1.459 -0.555 0 C-N-CA 122.892 2.395 . . . . 15.0 112.233 176.284 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.422 ' CE2' HD11 ' A' ' 30' ' ' ILE . 1.7 p90 -107.59 123.33 48.3 Favored 'General case' 0 N--CA 1.434 -1.228 0 CA-C-N 113.741 -1.572 . . . . 15.0 108.559 176.327 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.731 ' HA ' ' O ' ' A' ' 18' ' ' GLU . 4.8 m-85 -89.85 114.71 26.51 Favored 'General case' 0 N--CA 1.441 -0.892 0 N-CA-C 109.354 -0.61 . . . . 15.0 109.354 -175.106 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.631 HG23 ' HB3' ' B' ' 117' ' ' TYR . 15.9 mt -98.51 135.41 33.46 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.918 0 CA-C-N 115.501 -0.772 . . . . 15.0 110.931 -176.764 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -97.4 107.84 20.44 Favored 'General case' 0 C--N 1.309 -1.19 0 CA-C-N 114.975 -1.011 . . . . 15.0 108.697 170.455 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.586 ' HE2' ' HB ' ' A' ' 30' ' ' ILE . 10.7 m170 -87.15 0.75 54.81 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.059 -0.973 . . . . 15.0 110.583 -172.79 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 13.0 m-80 -90.21 -67.5 0.84 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 15.0 110.388 179.197 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 8.7 m -86.3 -4.95 59.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.405 0.621 . . . . 15.0 109.777 -179.229 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.519 ' HD2' ' CE1' ' B' ' 117' ' ' TYR . 29.5 mmtp 72.33 33.09 1.55 Allowed 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 114.731 -1.122 . . . . 15.0 110.75 173.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 48.0 p -102.72 150.25 23.65 Favored 'General case' 0 C--O 1.22 -0.459 0 CA-C-N 116.031 -0.531 . . . . 15.0 110.763 -177.574 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.958 ' HB ' ' HB2' ' B' ' 114' ' ' PRO . 20.6 p -121.91 142.89 49.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 121.931 -0.481 . . . . 15.0 111.982 -178.798 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.517 ' OG1' ' HG3' ' A' ' 40' ' ' GLU . 9.7 t -150.15 150.19 31.29 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 116.019 -0.537 . . . . 15.0 110.203 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 86.4 m95 -89.24 -15.63 33.15 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 120.998 0.428 . . . . 15.0 111.094 178.629 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.517 ' HG3' ' OG1' ' A' ' 38' ' ' THR . 0.6 OUTLIER -99.98 160.55 14.23 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-O 121.551 0.691 . . . . 15.0 112.146 -166.576 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -88.49 136.29 31.6 Favored Pre-proline 0 C--N 1.321 -0.661 0 CA-C-N 114.963 -1.017 . . . . 15.0 111.95 -165.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -66.73 -10.04 26.72 Favored 'Trans proline' 0 CA--C 1.53 0.308 0 C-N-CA 122.875 2.383 . . . . 15.0 112.472 176.248 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.444 ' HD3' ' HA ' ' A' ' 43' ' ' ARG . 19.1 mmt180 -75.27 -11.96 60.18 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.961 0.41 . . . . 15.0 111.037 176.769 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 92.8 mt -80.16 -9.72 59.73 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.695 0.759 . . . . 15.0 110.058 176.312 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 76.9 mttt . . . . . 0 C--N 1.314 -0.954 0 CA-C-N 114.528 -1.215 . . . . 15.0 110.028 -173.454 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 . . . . . 0 N--CA 1.477 0.883 0 CA-C-O 120.917 0.389 . . . . 15.0 110.702 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 47.9 mm -111.06 111.32 56.15 Favored Pre-proline 0 C--N 1.324 -0.529 0 N-CA-C 109.506 -0.553 . . . . 15.0 109.506 177.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 114' ' ' PRO . . . . . 0.958 ' HB2' ' HB ' ' A' ' 37' ' ' THR . 4.7 Cg_exo -71.47 119.7 6.43 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 121.672 1.581 . . . . 15.0 111.721 179.758 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 115' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_exo -68.34 136.3 36.62 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.568 2.179 . . . . 15.0 112.315 174.477 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_endo -49.2 -179.55 0.01 OUTLIER 'Trans proline' 0 N--CA 1.415 -3.142 0 C-N-CA 124.998 3.799 . . . . 15.0 114.778 167.258 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 117' ' ' TYR . . . . . 0.631 ' HB3' HG23 ' A' ' 30' ' ' ILE . 24.6 p90 -76.59 131.72 39.06 Favored 'General case' 1 C--N 1.239 -4.201 1 CA-C-N 105.711 -5.222 . . . . 15.0 109.495 179.402 . . . . . . . . 4 3 . 1 . 011 nuclear orig full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 5.6 t -112.18 40.12 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-O 121.725 0.774 . . . . 15.0 110.081 -173.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 119' ' ' GLU . . . . . 0.464 ' OE1' ' HB2' ' B' ' 117' ' ' TYR . 2.3 mp0 -119.61 118.52 32.08 Favored Pre-proline 0 C--N 1.323 -0.551 0 N-CA-C 109.096 -0.705 . . . . 15.0 109.096 176.388 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 120' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo . . . . . 0 C--O 1.25 1.09 0 C-N-CA 122.793 2.329 . . . . 15.0 111.802 178.242 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 20.8 p90 . . . . . 0 N--CA 1.483 1.18 0 CA-C-O 120.918 0.389 . . . . 15.0 110.773 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.7 mp -104.29 153.76 38.78 Favored Pre-proline 0 C--N 1.328 -0.351 0 N-CA-C 109.984 -0.376 . . . . 15.0 109.984 174.664 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.722 ' HB2' ' CD1' ' A' ' 17' ' ' TRP . 15.9 Cg_exo -49.55 150.93 7.9 Favored 'Trans proline' 0 CA--C 1.496 -1.385 0 C-N-CA 123.913 3.075 . . . . 15.0 115.362 176.431 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -63.69 120.07 11.11 Favored 'General case' 0 C--N 1.292 -1.909 0 CA-C-N 111.198 -2.728 . . . . 15.0 110.822 -172.273 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 91.34 0.17 73.88 Favored Glycine 0 N--CA 1.448 -0.566 0 CA-C-N 116.123 -0.489 . . . . 15.0 112.219 178.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.722 ' CD1' ' HB2' ' A' ' 14' ' ' PRO . 40.6 m95 -89.97 114.62 26.48 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.298 0.57 . . . . 15.0 110.572 177.82 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.581 ' O ' ' HA ' ' A' ' 29' ' ' PHE . 3.0 mt-10 -102.96 150.06 23.91 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.233 -0.894 . . . . 15.0 111.827 -178.09 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.532 HG21 ' CD2' ' A' ' 29' ' ' PHE . 15.9 t -119.02 103.17 14.08 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.188 0 CA-C-N 114.343 -1.299 . . . . 15.0 108.926 173.668 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.684 ' O ' ' HA ' ' A' ' 27' ' ' PRO . 10.6 ttm180 -125.92 146.6 49.78 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 120.681 -0.407 . . . . 15.0 109.977 -178.593 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.751 ' HD2' ' N ' ' A' ' 27' ' ' PRO . 0.0 OUTLIER -96.75 118.87 34.15 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 109.123 -0.695 . . . . 15.0 109.123 -177.751 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.16 160.68 82.08 Favored Pre-proline 0 C--N 1.32 -0.706 0 N-CA-C 109.228 -0.656 . . . . 15.0 109.228 175.273 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -59.82 -10.51 12.17 Favored 'Trans proline' 0 CA--C 1.534 0.504 0 C-N-CA 122.77 2.313 . . . . 15.0 113.393 -177.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 20.3 p30 -80.41 -12.99 59.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.305 0.574 . . . . 15.0 109.968 176.537 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.37 9.9 46.21 Favored Glycine 0 N--CA 1.44 -1.089 0 CA-C-N 115.45 -0.795 . . . . 15.0 113.095 177.447 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.446 ' C ' ' HD2' ' A' ' 21' ' ' HIS . 10.5 mmm180 -111.16 140.75 23.17 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 122.701 -0.293 . . . . 15.0 111.342 -178.316 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.751 ' N ' ' HD2' ' A' ' 21' ' ' HIS . 93.7 Cg_endo -88.58 115.15 0.8 Allowed 'Trans proline' 0 N--CA 1.457 -0.667 0 C-N-CA 122.659 2.239 . . . . 15.0 111.85 173.383 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.559 ' HD1' ' H ' ' A' ' 28' ' ' PHE . 0.4 OUTLIER -99.52 124.14 44.42 Favored 'General case' 0 N--CA 1.437 -1.118 0 CA-C-N 114.383 -1.281 . . . . 15.0 108.48 176.488 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.581 ' HA ' ' O ' ' A' ' 18' ' ' GLU . 7.2 m-85 -89.71 117.84 28.87 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.51 -0.768 . . . . 15.0 109.374 -174.868 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.694 HG21 ' HB3' ' B' ' 117' ' ' TYR . 20.0 mt -104.49 134.67 45.22 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.885 0 CA-C-N 115.618 -0.719 . . . . 15.0 111.377 -175.522 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -89.95 115.35 27.18 Favored 'General case' 0 C--N 1.307 -1.262 0 N-CA-C 108.096 -1.076 . . . . 15.0 108.096 168.013 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.42 ' NE2' ' HB ' ' A' ' 30' ' ' ILE . 11.9 m170 -94.32 5.04 53.01 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 115.842 -0.617 . . . . 15.0 110.927 -174.171 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 26.5 m-80 -90.02 -62.28 1.5 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.032 0.444 . . . . 15.0 110.846 177.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.8 m -111.43 2.58 17.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.004 -0.543 . . . . 15.0 110.599 -174.101 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.1 tmmm? 66.66 92.26 0.08 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.368 -0.833 . . . . 15.0 110.208 -178.536 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.1 m -140.61 150.31 43.43 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 114.81 -1.086 . . . . 15.0 108.279 177.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 1.089 ' HB ' ' HB2' ' B' ' 114' ' ' PRO . 5.5 p -138.23 135.9 36.02 Favored 'General case' 0 C--N 1.313 -1.007 0 C-N-CA 120.39 -0.524 . . . . 15.0 112.101 -176.092 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 14.7 t -150.27 150.21 31.21 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 115.68 -0.691 . . . . 15.0 109.408 -179.472 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 70.0 m95 -91.09 -19.87 22.66 Favored 'General case' 0 CA--C 1.512 -0.511 0 CA-C-O 121.897 0.856 . . . . 15.0 109.697 176.778 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -103.6 128.91 50.79 Favored 'General case' 0 C--N 1.31 -1.139 0 CA-C-N 114.263 -1.335 . . . . 15.0 110.613 -168.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -52.65 130.65 46.09 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 114.41 -1.268 . . . . 15.0 111.923 -170.381 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -68.84 -9.91 27.61 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.805 2.337 . . . . 15.0 112.093 178.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 11.2 tpp180 -76.95 -23.49 52.38 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.395 0.617 . . . . 15.0 110.13 178.455 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 88.4 mt -72.18 -9.81 58.94 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.35 -0.841 . . . . 15.0 110.811 174.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 45.7 mmtm . . . . . 0 C--N 1.308 -1.213 0 CA-C-N 114.799 -1.091 . . . . 15.0 109.722 177.631 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 . . . . . 0 N--CA 1.479 0.997 0 N-CA-C 109.822 -0.436 . . . . 15.0 109.822 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 64.9 mt 69.56 103.68 0.03 OUTLIER Pre-proline 0 C--O 1.234 0.244 0 O-C-N 123.648 0.593 . . . . 15.0 110.628 -177.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 114' ' ' PRO . . . . . 1.089 ' HB2' ' HB ' ' A' ' 37' ' ' THR . 9.8 Cg_exo -69.05 127.61 15.42 Favored 'Trans proline' 0 N--CA 1.461 -0.393 0 C-N-CA 122.249 1.966 . . . . 15.0 111.802 178.211 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 115' ' ' PRO . . . . . 0.464 ' HA ' ' HD2' ' B' ' 116' ' ' PRO . 93.0 Cg_endo -81.81 134.56 8.51 Favored 'Trans proline' 0 CA--C 1.529 0.257 0 C-N-CA 122.897 2.398 . . . . 15.0 112.729 179.246 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 116' ' ' PRO . . . . . 0.464 ' HD2' ' HA ' ' B' ' 115' ' ' PRO . 7.3 Cg_endo -48.56 -179.64 0.01 OUTLIER 'Trans proline' 0 N--CA 1.419 -2.895 1 C-N-CA 125.396 4.064 . . . . 15.0 115.661 172.886 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 117' ' ' TYR . . . . . 0.694 ' HB3' HG21 ' A' ' 30' ' ' ILE . 30.4 p90 -70.86 120.08 15.93 Favored 'General case' 1 C--N 1.243 -4.039 1 CA-C-N 105.84 -5.163 . . . . 15.0 110.101 -177.807 . . . . . . . . 4 3 . 1 . 012 nuclear orig full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 14.4 p -80.43 -14.11 12.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 121.663 0.745 . . . . 15.0 109.626 176.025 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -149.48 134.67 9.58 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 115.134 -0.939 . . . . 15.0 109.794 179.553 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 120' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_endo . . . . . 0 C--O 1.25 1.119 0 C-N-CA 122.755 2.303 . . . . 15.0 111.956 177.668 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 23.7 p90 . . . . . 0 N--CA 1.484 1.228 0 CA-C-O 120.997 0.427 . . . . 15.0 110.485 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.2 mp -79.22 151.69 75.66 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 116.075 -0.511 . . . . 15.0 110.383 178.448 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.668 ' HB2' ' CD1' ' A' ' 17' ' ' TRP . 15.8 Cg_exo -49.65 151.25 7.86 Favored 'Trans proline' 0 CA--C 1.493 -1.562 0 C-N-CA 124.33 3.354 . . . . 15.0 115.38 174.433 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.6 mptt -65.14 137.11 57.44 Favored 'General case' 0 C--N 1.291 -1.937 0 CA-C-N 111.221 -2.718 . . . . 15.0 110.142 -174.068 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.82 -1.33 68.31 Favored Glycine 0 C--N 1.319 -0.397 0 CA-C-N 115.413 -0.812 . . . . 15.0 112.731 -179.258 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.668 ' CD1' ' HB2' ' A' ' 14' ' ' PRO . 49.4 m95 -90.24 103.86 16.5 Favored 'General case' 0 CA--C 1.516 -0.354 0 CA-C-O 121.392 0.615 . . . . 15.0 109.537 175.76 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.561 ' O ' ' HA ' ' A' ' 29' ' ' PHE . 27.4 mm-40 -96.02 145.68 25.25 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.911 -1.04 . . . . 15.0 111.735 -174.73 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.475 HG21 ' CD2' ' A' ' 29' ' ' PHE . 10.0 t -117.66 91.0 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.848 0 CA-C-N 114.97 -1.014 . . . . 15.0 110.121 -179.23 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.614 ' O ' ' HA ' ' A' ' 27' ' ' PRO . 6.7 ttm180 -105.67 134.52 48.65 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.606 -0.438 . . . . 15.0 110.123 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.69 ' HD2' ' N ' ' A' ' 27' ' ' PRO . 0.2 OUTLIER -91.01 107.76 19.41 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 108.143 -1.058 . . . . 15.0 108.143 176.21 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.608 ' HB2' ' HD2' ' A' ' 23' ' ' PRO . . . -63.01 164.57 12.71 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 116.556 -0.293 . . . . 15.0 110.385 -178.533 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.608 ' HD2' ' HB2' ' A' ' 22' ' ' ALA . 16.8 Cg_endo -58.1 -16.82 28.9 Favored 'Trans proline' 0 C--N 1.35 0.614 0 C-N-CA 122.754 2.302 . . . . 15.0 113.493 -178.402 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.416 ' OD1' ' HB3' ' A' ' 22' ' ' ALA . 32.4 p-10 -80.49 -11.05 59.72 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.21 -0.663 . . . . 15.0 109.21 177.379 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 85.58 39.32 8.31 Favored Glycine 0 N--CA 1.437 -1.266 0 CA-C-N 114.8 -1.091 . . . . 15.0 112.382 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.411 ' HD3' ' HA ' ' A' ' 26' ' ' ARG . 18.9 mmt180 -127.18 133.92 25.58 Favored Pre-proline 0 C--N 1.324 -0.538 0 N-CA-C 110.099 -0.334 . . . . 15.0 110.099 175.258 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.69 ' N ' ' HD2' ' A' ' 21' ' ' HIS . 73.2 Cg_endo -88.72 107.16 0.48 Allowed 'Trans proline' 0 N--CA 1.451 -1.011 0 C-N-CA 122.201 1.934 . . . . 15.0 111.356 177.843 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.598 ' HD1' ' H ' ' A' ' 28' ' ' PHE . 0.2 OUTLIER -97.57 124.15 41.73 Favored 'General case' 0 N--CA 1.441 -0.893 0 CA-C-N 114.319 -1.309 . . . . 15.0 108.814 177.024 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.561 ' HA ' ' O ' ' A' ' 18' ' ' GLU . 11.6 m-85 -89.8 118.49 29.43 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.289 -0.868 . . . . 15.0 109.515 -174.403 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.731 HG21 ' HB3' ' B' ' 117' ' ' TYR . 19.0 mt -104.6 136.59 37.45 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.874 0 CA-C-N 115.418 -0.81 . . . . 15.0 110.772 -177.46 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.495 ' HB3' ' HB ' ' A' ' 36' ' ' THR . 1.2 t70 -89.68 116.09 27.54 Favored 'General case' 0 C--N 1.308 -1.237 0 CA-C-N 115.277 -0.874 . . . . 15.0 108.696 171.158 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.443 ' NE2' ' HB ' ' A' ' 30' ' ' ILE . 12.6 m-70 -103.62 4.96 36.17 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.035 -0.984 . . . . 15.0 110.776 -175.539 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 15.9 m-80 -84.1 -30.43 25.97 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-O 121.558 0.694 . . . . 15.0 109.55 179.139 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.471 ' O ' ' HB3' ' A' ' 35' ' ' LYS . 84.3 m -138.85 -71.9 0.4 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.151 -0.931 . . . . 15.0 109.477 178.759 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.529 ' O ' ' HG3' ' A' ' 35' ' ' LYS . 19.4 ptpt 161.1 103.59 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.34 0 O-C-N 124.392 1.058 . . . . 15.0 110.21 173.833 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.495 ' HB ' ' HB3' ' A' ' 31' ' ' ASP . 1.3 m -150.36 150.89 32.04 Favored 'General case' 0 C--N 1.307 -1.241 0 CA-C-N 114.608 -1.178 . . . . 15.0 109.594 -178.771 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 1.014 ' HB ' ' HB2' ' B' ' 114' ' ' PRO . 1.0 OUTLIER -141.14 132.79 27.16 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-O 121.117 0.484 . . . . 15.0 111.684 178.675 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.53 ' OG1' ' HG3' ' A' ' 40' ' ' GLU . 9.3 t -150.02 150.16 31.38 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.941 -0.572 . . . . 15.0 110.388 -179.375 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 63.3 m95 -92.49 -12.26 32.45 Favored 'General case' 0 CA--C 1.514 -0.415 0 CA-C-O 120.904 0.383 . . . . 15.0 110.337 177.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.53 ' HG3' ' OG1' ' A' ' 38' ' ' THR . 1.0 OUTLIER -99.23 159.98 14.6 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-N 115.972 -0.558 . . . . 15.0 110.693 -172.723 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.676 ' HB3' ' HG3' ' A' ' 43' ' ' ARG . 4.7 m-20 -91.88 125.59 56.59 Favored Pre-proline 0 C--N 1.319 -0.731 0 CA-C-N 115.897 -0.592 . . . . 15.0 111.43 -171.002 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -60.99 -9.78 13.06 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 123.388 2.725 . . . . 15.0 112.289 176.032 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.676 ' HG3' ' HB3' ' A' ' 41' ' ' ASP . 13.9 mtt180 -60.99 -26.05 67.31 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 116.139 -0.482 . . . . 15.0 110.917 -178.545 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 71.2 mt -79.95 -10.04 59.74 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.591 0.71 . . . . 15.0 111.117 -178.205 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 57.1 mttp . . . . . 0 C--N 1.307 -1.243 0 CA-C-N 114.873 -1.058 . . . . 15.0 110.36 -173.888 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 15.1 pm0 . . . . . 0 N--CA 1.478 0.972 0 CA-C-O 121.306 0.574 . . . . 15.0 110.761 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 69.0 mt -96.82 118.9 64.57 Favored Pre-proline 0 C--N 1.326 -0.426 0 CA-C-N 116.233 -0.44 . . . . 15.0 110.296 179.648 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 114' ' ' PRO . . . . . 1.014 ' HB2' ' HB ' ' A' ' 37' ' ' THR . 2.7 Cg_exo -71.21 122.52 8.79 Favored 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 122.117 1.878 . . . . 15.0 112.13 177.083 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 115' ' ' PRO . . . . . 0.432 ' HA ' ' HD2' ' B' ' 116' ' ' PRO . 31.2 Cg_exo -63.02 125.69 16.4 Favored 'Trans proline' 0 N--CA 1.474 0.342 0 C-N-CA 122.881 2.387 . . . . 15.0 112.66 173.104 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 116' ' ' PRO . . . . . 0.432 ' HD2' ' HA ' ' B' ' 115' ' ' PRO . 7.2 Cg_endo -48.91 -179.64 0.01 OUTLIER 'Trans proline' 0 N--CA 1.416 -3.085 0 C-N-CA 124.747 3.631 . . . . 15.0 114.9 168.683 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 117' ' ' TYR . . . . . 0.731 ' HB3' HG21 ' A' ' 30' ' ' ILE . 25.5 p90 -72.98 127.2 31.84 Favored 'General case' 1 C--N 1.243 -4.052 1 CA-C-N 105.973 -5.103 . . . . 15.0 109.806 -179.394 . . . . . . . . 4 3 . 1 . 013 nuclear orig full ' B' B ' 118' ' ' VAL . . . . . 0.436 ' O ' ' HD3' ' B' ' 120' ' ' PRO . 8.6 p -108.7 -3.61 10.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 N-CA-C 108.761 -0.829 . . . . 15.0 108.761 177.032 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 119' ' ' GLU . . . . . 0.417 ' OE2' ' HE1' ' A' ' 32' ' ' HIS . 1.8 mp0 -80.62 109.67 13.99 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 114.681 -1.145 . . . . 15.0 110.191 177.365 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 120' ' ' PRO . . . . . 0.436 ' HD3' ' O ' ' B' ' 118' ' ' VAL . 72.1 Cg_endo . . . . . 0 N--CA 1.446 -1.309 0 C-N-CA 123.087 2.524 . . . . 15.0 111.738 178.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 34.6 p90 . . . . . 0 N--CA 1.477 0.92 0 CA-C-O 121.287 0.565 . . . . 15.0 110.652 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -120.15 140.51 30.07 Favored Pre-proline 0 C--N 1.32 -0.677 0 CA-C-N 115.73 -0.668 . . . . 15.0 109.756 175.35 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.727 ' HB2' ' CD1' ' A' ' 17' ' ' TRP . 10.7 Cg_exo -49.85 151.02 8.74 Favored 'Trans proline' 0 CA--C 1.496 -1.397 0 C-N-CA 123.629 2.886 . . . . 15.0 115.03 170.711 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 32.9 ttpt -60.42 124.3 19.93 Favored 'General case' 0 C--N 1.287 -2.141 0 CA-C-N 111.215 -2.721 . . . . 15.0 110.812 -172.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.45 -1.3 88.44 Favored Glycine 0 C--N 1.33 0.213 0 CA-C-N 116.046 -0.525 . . . . 15.0 112.659 -179.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.727 ' CD1' ' HB2' ' A' ' 14' ' ' PRO . 51.0 m95 -89.89 117.77 28.96 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.088 0.47 . . . . 15.0 110.145 177.342 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.48 ' O ' ' HA ' ' A' ' 29' ' ' PHE . 31.2 mm-40 -111.4 149.57 31.03 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.5 -0.773 . . . . 15.0 111.694 -176.133 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.522 HG21 ' CD2' ' A' ' 29' ' ' PHE . 16.2 t -115.75 108.66 25.8 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.897 0 CA-C-N 114.772 -1.104 . . . . 15.0 109.229 177.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.696 ' O ' ' HA ' ' A' ' 27' ' ' PRO . 1.0 OUTLIER -123.63 143.64 50.11 Favored 'General case' 0 C--N 1.316 -0.854 0 C-N-CA 120.406 -0.518 . . . . 15.0 110.165 178.484 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.673 ' HD2' ' N ' ' A' ' 27' ' ' PRO . 0.2 OUTLIER -101.95 110.23 22.16 Favored 'General case' 0 C--N 1.311 -1.069 0 N-CA-C 107.846 -1.168 . . . . 15.0 107.846 -178.824 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.436 ' HB1' ' OD1' ' A' ' 24' ' ' ASN . . . -62.52 162.13 22.21 Favored Pre-proline 0 C--N 1.323 -0.558 0 N-CA-C 110.046 -0.353 . . . . 15.0 110.046 -179.802 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -57.97 -18.61 36.25 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.6 2.2 . . . . 15.0 113.381 -176.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.436 ' OD1' ' HB1' ' A' ' 22' ' ' ALA . 33.7 p-10 -80.38 -10.03 59.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.559 0.695 . . . . 15.0 109.477 177.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 88.72 29.6 18.03 Favored Glycine 0 N--CA 1.44 -1.048 0 CA-C-N 114.892 -1.049 . . . . 15.0 112.802 178.099 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.7 mmp_? -115.76 131.03 23.89 Favored Pre-proline 0 C--N 1.321 -0.668 0 N-CA-C 109.405 -0.591 . . . . 15.0 109.405 174.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.696 ' HA ' ' O ' ' A' ' 20' ' ' ARG . 95.3 Cg_endo -88.93 116.54 0.8 Allowed 'Trans proline' 0 N--CA 1.457 -0.649 0 C-N-CA 122.119 1.879 . . . . 15.0 112.411 176.664 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.548 ' HD1' ' H ' ' A' ' 28' ' ' PHE . 0.2 OUTLIER -104.4 123.31 47.21 Favored 'General case' 0 N--CA 1.442 -0.857 0 CA-C-N 113.957 -1.474 . . . . 15.0 109.066 177.894 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.522 ' CD2' HG21 ' A' ' 19' ' ' VAL . 9.3 m-85 -89.74 120.42 30.98 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.591 -0.731 . . . . 15.0 109.628 -174.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.748 HG21 ' HB3' ' B' ' 117' ' ' TYR . 16.9 mt -106.17 136.69 39.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.977 -0.556 . . . . 15.0 111.747 -174.834 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.81 ' HB3' ' HB ' ' A' ' 36' ' ' THR . 0.4 OUTLIER -90.04 110.72 21.7 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-N 114.957 -1.02 . . . . 15.0 108.753 168.867 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.607 ' CE1' ' HB2' ' B' ' 117' ' ' TYR . 12.1 m-70 -93.98 0.27 55.94 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.008 -0.996 . . . . 15.0 110.879 -174.375 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 15.1 m-80 -80.91 -34.22 33.59 Favored 'General case' 0 CA--C 1.512 -0.514 0 N-CA-C 108.996 -0.742 . . . . 15.0 108.996 177.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.42 ' O ' ' HG2' ' A' ' 35' ' ' LYS . 18.0 m -124.67 -87.6 0.62 Allowed 'General case' 0 N--CA 1.443 -0.798 0 CA-C-N 115.507 -0.77 . . . . 15.0 110.841 177.246 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.42 ' HG2' ' O ' ' A' ' 34' ' ' THR . 39.3 mmtm -172.4 21.62 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 122.739 0.416 . . . . 15.0 110.59 -170.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.81 ' HB ' ' HB3' ' A' ' 31' ' ' ASP . 1.9 m -90.16 150.71 21.9 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.461 -0.496 . . . . 15.0 110.967 -168.017 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 1.013 ' HB ' ' HB2' ' B' ' 114' ' ' PRO . 7.7 p -146.58 133.34 20.01 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-N 116.101 -0.5 . . . . 15.0 110.934 -178.615 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.471 ' OG1' ' HG3' ' A' ' 40' ' ' GLU . 10.2 t -150.16 150.15 31.24 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.145 -0.48 . . . . 15.0 110.168 179.512 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 66.7 m95 -88.46 -11.37 46.12 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 121.257 0.551 . . . . 15.0 110.158 178.712 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.471 ' HG3' ' OG1' ' A' ' 38' ' ' THR . 0.4 OUTLIER -108.01 162.55 13.94 Favored 'General case' 0 N--CA 1.44 -0.965 0 CA-C-N 115.623 -0.717 . . . . 15.0 110.372 -172.918 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -97.84 128.56 33.65 Favored Pre-proline 0 C--N 1.319 -0.726 0 CA-C-O 121.326 0.584 . . . . 15.0 112.23 -169.251 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -63.83 -10.1 21.3 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 123.727 2.951 . . . . 15.0 112.438 179.708 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 77.1 mtp180 -76.95 -41.03 44.85 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.777 -0.647 . . . . 15.0 110.178 179.681 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.9 -16.37 55.46 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.263 -0.88 . . . . 15.0 110.975 178.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 37.9 ttmt . . . . . 0 C--O 1.249 1.055 0 O-C-N 125.763 1.914 . . . . 15.0 113.356 178.772 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 27.5 mm-40 . . . . . 0 N--CA 1.482 1.151 0 CA-C-O 120.868 0.366 . . . . 15.0 110.52 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 6.1 tp -108.53 114.91 58.54 Favored Pre-proline 0 C--N 1.317 -0.844 0 CA-C-N 116.038 -0.528 . . . . 15.0 111.022 -176.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 114' ' ' PRO . . . . . 1.013 ' HB2' ' HB ' ' A' ' 37' ' ' THR . 13.8 Cg_exo -68.69 126.12 13.61 Favored 'Trans proline' 0 CA--C 1.53 0.284 0 C-N-CA 122.188 1.925 . . . . 15.0 111.617 173.634 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 115' ' ' PRO . . . . . 0.43 ' HA ' ' HD2' ' B' ' 116' ' ' PRO . 52.2 Cg_exo -57.71 126.75 22.78 Favored 'Trans proline' 0 C--N 1.343 0.26 0 C-N-CA 122.851 2.367 . . . . 15.0 112.775 174.77 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 116' ' ' PRO . . . . . 0.43 ' HD2' ' HA ' ' B' ' 115' ' ' PRO . 6.7 Cg_endo -48.81 -179.65 0.01 OUTLIER 'Trans proline' 0 N--CA 1.415 -3.114 0 C-N-CA 125.016 3.811 . . . . 15.0 115.326 170.495 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 117' ' ' TYR . . . . . 0.748 ' HB3' HG21 ' A' ' 30' ' ' ILE . 2.7 p90 -83.62 133.63 34.83 Favored 'General case' 0 C--N 1.244 -3.993 1 CA-C-N 105.9 -5.137 . . . . 15.0 110.542 -177.168 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 29.1 m -117.97 -7.36 11.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 121.359 0.599 . . . . 15.0 109.559 176.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 119' ' ' GLU . . . . . 0.409 ' HA ' ' HD3' ' B' ' 120' ' ' PRO . 0.4 OUTLIER -102.9 110.5 63.56 Favored Pre-proline 0 C--O 1.237 0.404 0 CA-C-N 115.211 -0.904 . . . . 15.0 109.886 179.159 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 120' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' B' ' 119' ' ' GLU . 4.8 Cg_exo . . . . . 0 C--O 1.247 0.965 0 C-N-CA 123.009 2.473 . . . . 15.0 111.728 178.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.452 ' CE2' ' HD2' ' A' ' 43' ' ' ARG . 28.9 p90 . . . . . 0 N--CA 1.483 1.207 0 CA-C-O 120.897 0.379 . . . . 15.0 111.34 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.4 pp -98.21 160.44 28.24 Favored Pre-proline 0 C--N 1.324 -0.527 0 N-CA-C 108.534 -0.913 . . . . 15.0 108.534 171.427 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.632 ' HB2' ' CD1' ' A' ' 17' ' ' TRP . 44.8 Cg_exo -49.55 150.66 8.3 Favored 'Trans proline' 0 CA--C 1.498 -1.288 0 C-N-CA 123.577 2.852 . . . . 15.0 115.882 -176.77 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -75.62 129.68 37.55 Favored 'General case' 0 C--N 1.288 -2.086 0 CA-C-N 111.241 -2.709 . . . . 15.0 110.687 -172.048 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 88.63 -0.17 82.53 Favored Glycine 0 N--CA 1.451 -0.346 0 CA-C-N 115.662 -0.699 . . . . 15.0 111.423 -176.656 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.632 ' CD1' ' HB2' ' A' ' 14' ' ' PRO . 26.2 m95 -90.92 117.12 29.27 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-O 121.338 0.589 . . . . 15.0 110.043 175.775 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.61 ' O ' ' HA ' ' A' ' 29' ' ' PHE . 11.8 mm-40 -105.03 149.45 25.79 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-N 115.25 -0.886 . . . . 15.0 111.039 -177.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.529 HG23 ' CD2' ' A' ' 29' ' ' PHE . 8.9 t -125.57 90.01 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.297 0 CA-C-N 114.758 -1.11 . . . . 15.0 108.988 178.215 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.623 ' O ' ' HA ' ' A' ' 27' ' ' PRO . 21.9 ttm180 -102.46 144.83 30.41 Favored 'General case' 0 C--N 1.318 -0.775 0 C-N-CA 120.635 -0.426 . . . . 15.0 109.914 -177.402 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.626 ' HD2' ' N ' ' A' ' 27' ' ' PRO . 0.2 OUTLIER -99.53 109.59 22.11 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 108.234 -1.024 . . . . 15.0 108.234 179.074 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.415 ' HB3' ' OD1' ' A' ' 24' ' ' ASN . . . -63.12 164.75 12.5 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-N 116.507 -0.315 . . . . 15.0 110.321 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -59.06 -18.36 43.03 Favored 'Trans proline' 0 C--N 1.35 0.626 0 C-N-CA 122.522 2.148 . . . . 15.0 113.25 -178.46 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.415 ' OD1' ' HB3' ' A' ' 22' ' ' ALA . 32.3 p-10 -80.41 -10.23 59.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.664 0.745 . . . . 15.0 109.263 177.49 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.3 38.24 7.86 Favored Glycine 0 N--CA 1.438 -1.169 0 CA-C-N 114.793 -1.094 . . . . 15.0 113.077 177.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.507 ' C ' ' HD2' ' A' ' 21' ' ' HIS . 6.5 mmp_? -123.25 142.0 37.44 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 122.735 -0.273 . . . . 15.0 110.678 175.404 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.626 ' N ' ' HD2' ' A' ' 21' ' ' HIS . 95.3 Cg_endo -87.76 113.54 0.87 Allowed 'Trans proline' 0 C--O 1.233 0.268 0 C-N-CA 122.329 2.02 . . . . 15.0 112.2 172.869 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.405 ' CZ ' ' HD2' ' A' ' 20' ' ' ARG . 0.8 OUTLIER -104.35 123.21 47.0 Favored 'General case' 0 N--CA 1.441 -0.918 0 CA-C-N 114.001 -1.454 . . . . 15.0 108.435 174.253 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.61 ' HA ' ' O ' ' A' ' 18' ' ' GLU . 8.2 m-85 -89.59 124.22 34.36 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.556 -0.747 . . . . 15.0 109.472 -174.781 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.846 HG23 ' HB3' ' B' ' 117' ' ' TYR . 21.3 mt -107.58 133.31 52.72 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.044 0 CA-C-N 115.396 -0.82 . . . . 15.0 110.529 -179.631 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.653 ' O ' ' HA ' ' A' ' 35' ' ' LYS . 13.0 t70 -89.95 114.85 26.74 Favored 'General case' 0 C--N 1.304 -1.384 0 N-CA-C 108.088 -1.079 . . . . 15.0 108.088 169.69 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.533 ' CE1' ' HB2' ' B' ' 117' ' ' TYR . 12.0 m170 -95.56 4.24 53.34 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 116.038 -0.528 . . . . 15.0 110.549 -174.725 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 24.5 m-80 -89.85 -64.01 1.2 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.024 -0.535 . . . . 15.0 110.319 179.389 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.43 ' O ' ' HB3' ' A' ' 35' ' ' LYS . 23.4 m -100.51 -21.67 15.25 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.728 -0.669 . . . . 15.0 109.947 -178.084 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.69 ' HD3' ' HE1' ' B' ' 117' ' ' TYR . 37.4 ttpt 82.6 98.47 0.05 OUTLIER 'General case' 0 CA--C 1.514 -0.412 0 CA-C-N 114.367 -1.288 . . . . 15.0 112.146 178.346 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -150.68 149.97 30.5 Favored 'General case' 0 C--N 1.309 -1.159 0 CA-C-N 113.337 -1.756 . . . . 15.0 108.827 174.478 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.62 ' HB ' ' HG2' ' B' ' 114' ' ' PRO . 4.8 p -126.45 131.46 51.67 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.155 0.502 . . . . 15.0 111.781 178.838 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.516 ' OG1' ' HG3' ' A' ' 40' ' ' GLU . 4.9 t -147.96 150.14 33.47 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.756 -0.656 . . . . 15.0 110.185 -177.362 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 57.7 m95 -90.18 -4.87 56.99 Favored 'General case' 0 CA--C 1.512 -0.514 0 CA-C-O 120.885 0.374 . . . . 15.0 110.844 -177.345 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.516 ' HG3' ' OG1' ' A' ' 38' ' ' THR . 0.7 OUTLIER -105.43 156.99 17.67 Favored 'General case' 0 N--CA 1.438 -1.035 0 CA-C-N 115.979 -0.555 . . . . 15.0 110.957 -173.524 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.99 ' HB3' HD13 ' A' ' 44' ' ' LEU . 5.1 t0 -93.49 130.42 35.42 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-N 115.606 -0.725 . . . . 15.0 111.961 -161.829 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -75.21 -12.01 21.1 Favored 'Trans proline' 0 C--N 1.351 0.706 0 C-N-CA 122.655 2.237 . . . . 15.0 113.269 178.043 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.452 ' HD2' ' CE2' ' A' ' 12' ' ' PHE . 64.1 mtm180 -74.17 -19.1 60.67 Favored 'General case' 0 CA--C 1.511 -0.539 0 CA-C-O 122.209 1.004 . . . . 15.0 109.536 177.522 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.99 HD13 ' HB3' ' A' ' 41' ' ' ASP . 4.7 mp -77.66 -9.46 58.98 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-N 113.611 -1.631 . . . . 15.0 110.364 -179.512 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.5 mptp? . . . . . 0 C--O 1.25 1.08 0 CA-C-N 114.759 -1.11 . . . . 15.0 110.507 -178.641 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 . . . . . 0 N--CA 1.479 1.006 0 N-CA-C 110.299 -0.26 . . . . 15.0 110.299 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 15.5 pt -54.9 115.23 8.44 Favored Pre-proline 0 CA--C 1.539 0.527 0 O-C-N 123.615 0.572 . . . . 15.0 112.43 -177.533 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 114' ' ' PRO . . . . . 0.62 ' HG2' ' HB ' ' A' ' 37' ' ' THR . 9.3 Cg_endo -78.0 138.35 16.37 Favored 'Trans proline' 0 CA--C 1.534 0.478 0 C-N-CA 122.529 2.153 . . . . 15.0 112.675 178.841 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 115' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_exo -51.71 126.35 19.48 Favored 'Trans proline' 0 N--CA 1.477 0.537 0 C-N-CA 123.779 2.986 . . . . 15.0 114.243 174.249 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_endo -49.84 -179.47 0.02 OUTLIER 'Trans proline' 0 N--CA 1.419 -2.909 1 C-N-CA 125.331 4.021 . . . . 15.0 115.193 166.769 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 117' ' ' TYR . . . . . 0.846 ' HB3' HG23 ' A' ' 30' ' ' ILE . 14.4 p90 -77.62 143.83 37.93 Favored 'General case' 0 C--N 1.248 -3.813 1 CA-C-N 105.876 -5.147 . . . . 15.0 110.67 -178.674 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 51.0 t -106.33 -38.52 4.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 108.9 -0.778 . . . . 15.0 108.9 175.357 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.98 128.36 37.58 Favored Pre-proline 0 C--N 1.32 -0.712 0 CA-C-N 114.647 -1.16 . . . . 15.0 109.429 177.194 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 120' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_exo . . . . . 0 C--O 1.25 1.094 0 C-N-CA 122.615 2.21 . . . . 15.0 112.163 -179.97 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 45.4 t80 . . . . . 0 N--CA 1.482 1.132 0 CA-C-O 121.41 0.624 . . . . 15.0 110.789 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -111.22 148.5 38.84 Favored Pre-proline 0 C--N 1.326 -0.447 0 CA-C-N 116.184 -0.462 . . . . 15.0 110.601 -179.471 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.705 ' HB2' ' CD1' ' A' ' 17' ' ' TRP . 13.0 Cg_exo -49.72 151.14 8.18 Favored 'Trans proline' 0 CA--C 1.496 -1.381 0 C-N-CA 124.193 3.262 . . . . 15.0 115.518 173.456 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.402 ' HE3' ' HB2' ' A' ' 15' ' ' LYS . 38.5 ttmt -63.01 124.81 22.05 Favored 'General case' 0 C--N 1.289 -2.065 0 CA-C-N 111.425 -2.625 . . . . 15.0 110.654 -173.362 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 87.25 -5.45 85.08 Favored Glycine 0 N--CA 1.451 -0.339 0 CA-C-N 116.042 -0.526 . . . . 15.0 112.146 -177.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.705 ' CD1' ' HB2' ' A' ' 14' ' ' PRO . 48.5 m95 -89.85 114.36 26.1 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.355 -0.609 . . . . 15.0 109.355 175.111 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.656 ' O ' ' HA ' ' A' ' 29' ' ' PHE . 5.7 mm-40 -106.99 144.88 32.98 Favored 'General case' 0 C--N 1.31 -1.141 0 CA-C-N 115.151 -0.931 . . . . 15.0 111.756 -174.589 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.494 HG21 ' CD2' ' A' ' 29' ' ' PHE . 10.2 t -118.93 96.0 4.08 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.176 0 CA-C-N 114.195 -1.366 . . . . 15.0 109.76 -177.477 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.582 ' O ' ' HA ' ' A' ' 27' ' ' PRO . 0.3 OUTLIER -113.07 130.28 56.22 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 120.615 -0.434 . . . . 15.0 110.211 -179.125 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.688 ' HD2' ' N ' ' A' ' 27' ' ' PRO . 0.2 OUTLIER -91.0 110.21 21.47 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.325 -0.991 . . . . 15.0 108.325 176.934 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.4 ' HB1' ' OD1' ' A' ' 24' ' ' ASN . . . -64.15 166.07 11.67 Favored Pre-proline 0 C--N 1.327 -0.401 0 O-C-N 123.215 0.322 . . . . 15.0 110.345 -179.199 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -60.33 -17.8 49.08 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.668 2.246 . . . . 15.0 113.107 177.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.4 ' OD1' ' HB1' ' A' ' 22' ' ' ALA . 30.3 p30 -80.05 -10.19 59.75 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.141 -0.688 . . . . 15.0 109.141 174.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 83.03 36.88 13.78 Favored Glycine 0 N--CA 1.439 -1.113 0 CA-C-N 114.972 -1.013 . . . . 15.0 112.546 178.428 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 8.7 mpt_? -114.3 129.62 24.71 Favored Pre-proline 0 C--N 1.319 -0.746 0 N-CA-C 109.659 -0.497 . . . . 15.0 109.659 173.207 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.688 ' N ' ' HD2' ' A' ' 21' ' ' HIS . 56.7 Cg_endo -88.91 99.94 0.37 Allowed 'Trans proline' 0 N--CA 1.447 -1.208 0 C-N-CA 121.802 1.668 . . . . 15.0 110.523 173.394 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 1.2 p90 -94.27 121.88 36.24 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-N 114.259 -1.337 . . . . 15.0 109.357 -178.47 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.656 ' HA ' ' O ' ' A' ' 18' ' ' GLU . 16.2 m-85 -89.79 117.33 28.55 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 115.572 -0.74 . . . . 15.0 109.768 -174.078 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.936 HG23 ' HB3' ' B' ' 117' ' ' TYR . 20.7 mt -102.17 133.64 45.15 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.996 0 CA-C-N 115.425 -0.807 . . . . 15.0 110.173 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.415 ' O ' ' HA ' ' A' ' 35' ' ' LYS . 16.4 t70 -89.97 110.04 21.03 Favored 'General case' 0 C--N 1.302 -1.495 0 N-CA-C 108.27 -1.011 . . . . 15.0 108.27 171.653 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.503 ' NE2' ' HB ' ' A' ' 30' ' ' ILE . 12.3 m170 -90.48 6.21 44.43 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.42 -0.809 . . . . 15.0 110.284 -174.592 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 29.5 m-80 -90.08 -71.67 0.6 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.723 -0.671 . . . . 15.0 110.417 176.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.5 m -98.7 -8.35 26.28 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.62 -0.718 . . . . 15.0 110.16 -173.609 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.415 ' HA ' ' O ' ' A' ' 31' ' ' ASP . 63.4 mttt 76.71 97.44 0.07 Allowed 'General case' 0 CA--C 1.514 -0.42 0 CA-C-N 114.584 -1.189 . . . . 15.0 111.271 179.285 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -150.22 150.56 31.73 Favored 'General case' 0 C--N 1.311 -1.1 0 CA-C-N 113.801 -1.545 . . . . 15.0 109.148 -175.493 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.969 ' HB ' ' HB2' ' B' ' 114' ' ' PRO . 10.7 p -132.73 129.92 39.32 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-O 120.968 0.413 . . . . 15.0 111.375 178.545 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 12.6 t -150.34 149.94 30.77 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 116.014 -0.539 . . . . 15.0 109.726 -176.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 25.2 m95 -97.22 -25.68 15.2 Favored 'General case' 0 CA--C 1.509 -0.603 0 CA-C-O 121.902 0.858 . . . . 15.0 109.711 177.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.3 pm0 -86.61 126.66 34.66 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 114.299 -1.319 . . . . 15.0 110.358 -173.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -53.79 128.43 54.21 Favored Pre-proline 0 C--N 1.317 -0.816 0 CA-C-N 114.504 -1.226 . . . . 15.0 111.851 -174.518 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -65.16 -10.2 24.8 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.793 2.328 . . . . 15.0 112.011 176.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 20.4 mmm180 -72.89 -9.83 59.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.86 -0.609 . . . . 15.0 111.293 179.546 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 88.7 mt -78.86 -9.96 59.65 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.607 0.718 . . . . 15.0 110.764 178.355 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.449 ' HA ' ' HD2' ' A' ' 45' ' ' LYS . 12.5 tptp . . . . . 0 C--N 1.31 -1.114 0 CA-C-N 114.874 -1.057 . . . . 15.0 110.705 179.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? . . . . . 0 N--CA 1.476 0.859 0 N-CA-C 109.771 -0.455 . . . . 15.0 109.771 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 70.7 mt 68.19 98.36 0.04 OUTLIER Pre-proline 0 N--CA 1.467 0.384 0 C-N-CA 123.274 0.63 . . . . 15.0 111.42 -178.457 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 114' ' ' PRO . . . . . 0.969 ' HB2' ' HB ' ' A' ' 37' ' ' THR . 3.1 Cg_exo -74.78 122.07 7.07 Favored 'Trans proline' 0 N--CA 1.461 -0.391 0 C-N-CA 122.62 2.213 . . . . 15.0 112.027 178.169 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 115' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -61.44 125.16 16.18 Favored 'Trans proline' 0 CA--C 1.53 0.304 0 C-N-CA 122.724 2.283 . . . . 15.0 113.114 174.256 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 116' ' ' PRO . . . . . . . . . . . . . 8.2 Cg_endo -49.21 -179.55 0.01 OUTLIER 'Trans proline' 0 N--CA 1.415 -3.129 0 C-N-CA 125.15 3.9 . . . . 15.0 114.932 167.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 117' ' ' TYR . . . . . 0.936 ' HB3' HG23 ' A' ' 30' ' ' ILE . 2.4 p90 -96.96 137.06 36.62 Favored 'General case' 1 C--N 1.239 -4.214 1 CA-C-N 105.854 -5.157 . . . . 15.0 109.736 179.414 . . . . . . . . 4 3 . 1 . 016 nuclear orig full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 11.0 p -118.11 -13.2 10.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-O 121.776 0.798 . . . . 15.0 108.949 173.182 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 119' ' ' GLU . . . . . 0.488 ' CD ' HH22 ' A' ' 20' ' ' ARG . 2.4 pm0 -84.35 114.25 53.67 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 114.819 -1.082 . . . . 15.0 111.245 -179.789 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 120' ' ' PRO . . . . . . . . . . . . . 8.2 Cg_exo . . . . . 0 C--O 1.245 0.834 0 C-N-CA 123.481 2.787 . . . . 15.0 111.769 179.446 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 62.4 t80 . . . . . 0 N--CA 1.478 0.958 0 CA-C-O 121.254 0.549 . . . . 15.0 110.964 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.1 pp -120.11 153.44 55.39 Favored Pre-proline 0 C--N 1.32 -0.71 0 CA-C-N 116.328 -0.396 . . . . 15.0 109.992 -179.602 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.757 ' HB2' ' CD1' ' A' ' 17' ' ' TRP . 92.4 Cg_exo -50.0 151.29 8.86 Favored 'Trans proline' 0 CA--C 1.496 -1.394 0 C-N-CA 124.146 3.231 . . . . 15.0 116.043 -176.58 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 50.7 mtpt -70.72 142.94 51.44 Favored 'General case' 0 C--N 1.287 -2.109 0 CA-C-N 111.054 -2.794 . . . . 15.0 110.106 -175.548 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 71.35 3.69 54.16 Favored Glycine 0 C--N 1.322 -0.2 0 CA-C-N 116.181 -0.463 . . . . 15.0 112.652 -178.423 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.757 ' CD1' ' HB2' ' A' ' 14' ' ' PRO . 15.5 m95 -90.03 113.01 24.62 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.313 0.577 . . . . 15.0 110.247 177.63 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.539 ' O ' ' HA ' ' A' ' 29' ' ' PHE . 2.4 mm-40 -108.86 149.03 29.72 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.377 -0.829 . . . . 15.0 111.558 -176.649 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.521 HG21 ' CD2' ' A' ' 29' ' ' PHE . 12.9 t -117.38 97.96 6.07 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.185 0 CA-C-N 114.745 -1.116 . . . . 15.0 109.176 179.741 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.728 ' O ' ' HA ' ' A' ' 27' ' ' PRO . 5.6 tpp180 -111.61 146.04 38.11 Favored 'General case' 0 C--N 1.316 -0.85 0 C-N-CA 120.764 -0.374 . . . . 15.0 110.062 -179.06 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.69 ' HD2' ' N ' ' A' ' 27' ' ' PRO . 0.0 OUTLIER -101.49 112.8 25.45 Favored 'General case' 0 C--N 1.314 -0.975 0 N-CA-C 108.117 -1.068 . . . . 15.0 108.117 178.937 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.428 ' HB2' ' OD1' ' A' ' 24' ' ' ASN . . . -65.14 159.5 64.71 Favored Pre-proline 0 C--N 1.321 -0.633 0 N-CA-C 109.479 -0.563 . . . . 15.0 109.479 177.335 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -59.87 -13.28 21.85 Favored 'Trans proline' 0 CA--C 1.532 0.405 0 C-N-CA 122.531 2.154 . . . . 15.0 113.391 -177.424 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.428 ' OD1' ' HB2' ' A' ' 22' ' ' ALA . 29.8 p-10 -80.51 -11.31 59.69 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 109.316 -0.624 . . . . 15.0 109.316 176.351 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 95.75 26.24 12.05 Favored Glycine 0 N--CA 1.44 -1.054 0 CA-C-N 115.345 -0.843 . . . . 15.0 113.142 175.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.469 ' C ' ' HD2' ' A' ' 21' ' ' HIS . 26.9 mmm180 -122.13 139.36 30.37 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 122.651 -0.323 . . . . 15.0 111.291 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.728 ' HA ' ' O ' ' A' ' 20' ' ' ARG . 98.5 Cg_endo -88.26 117.17 1.0 Allowed 'Trans proline' 0 N--CA 1.46 -0.489 0 C-N-CA 122.601 2.201 . . . . 15.0 112.442 175.448 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.448 ' HD1' ' H ' ' A' ' 28' ' ' PHE . 0.3 OUTLIER -105.35 124.0 48.81 Favored 'General case' 0 N--CA 1.436 -1.147 0 CA-C-N 113.546 -1.661 . . . . 15.0 108.099 174.804 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.539 ' HA ' ' O ' ' A' ' 18' ' ' GLU . 11.5 m-85 -89.7 114.09 25.69 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 109.203 -0.665 . . . . 15.0 109.203 -174.573 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.698 HG23 ' HB3' ' B' ' 117' ' ' TYR . 21.6 mt -94.86 127.93 46.45 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.164 0 CA-C-N 115.308 -0.86 . . . . 15.0 110.596 -176.876 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -90.09 104.32 16.9 Favored 'General case' 0 C--N 1.303 -1.416 0 CA-C-N 114.626 -1.17 . . . . 15.0 108.259 170.77 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.441 ' NE2' ' HB ' ' A' ' 30' ' ' ILE . 11.4 m170 -84.63 2.44 41.53 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.485 -0.78 . . . . 15.0 110.583 -173.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 12.2 m-80 -90.08 -57.68 2.77 Favored 'General case' 0 C--O 1.23 0.071 0 CA-C-O 121.135 0.493 . . . . 15.0 110.562 179.203 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.415 ' O ' ' HB2' ' A' ' 35' ' ' LYS . 0.6 OUTLIER -102.03 1.06 36.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.884 -0.598 . . . . 15.0 110.678 -175.827 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.762 ' HG3' ' HE1' ' B' ' 117' ' ' TYR . 0.8 OUTLIER 69.72 31.57 3.52 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 115.66 -0.7 . . . . 15.0 110.562 179.651 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -92.77 150.49 20.61 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.948 -0.569 . . . . 15.0 110.293 -178.838 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.828 ' HB ' ' HB2' ' B' ' 114' ' ' PRO . 14.0 p -131.98 135.95 46.94 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 120.994 0.426 . . . . 15.0 111.395 178.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.519 ' OG1' ' HG3' ' A' ' 40' ' ' GLU . 9.9 t -150.12 150.14 31.25 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.087 -0.506 . . . . 15.0 110.236 -178.259 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.444 ' CZ3' ' HB3' ' A' ' 28' ' ' PHE . 62.8 m95 -91.25 -16.22 27.95 Favored 'General case' 0 CA--C 1.508 -0.671 0 CA-C-O 121.073 0.463 . . . . 15.0 110.441 178.536 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.519 ' HG3' ' OG1' ' A' ' 38' ' ' THR . 1.2 pp20? -91.53 158.07 16.66 Favored 'General case' 0 N--CA 1.438 -1.035 0 CA-C-N 115.775 -0.648 . . . . 15.0 110.859 -172.507 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -87.77 130.69 45.9 Favored Pre-proline 0 C--N 1.318 -0.776 0 CA-C-N 115.289 -0.869 . . . . 15.0 111.353 -165.163 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -63.64 -9.9 20.1 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.954 2.436 . . . . 15.0 112.008 175.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 21.1 mmm-85 -60.56 -24.38 65.37 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.069 0.462 . . . . 15.0 110.301 177.132 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 91.0 mt -80.42 -9.45 59.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.697 -0.683 . . . . 15.0 110.696 178.708 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 42.4 mttp . . . . . 0 C--N 1.309 -1.153 0 CA-C-N 114.638 -1.164 . . . . 15.0 109.965 -176.861 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.479 1.009 0 CA-C-O 120.56 0.219 . . . . 15.0 110.746 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 48.3 mm 62.4 102.62 0.04 OUTLIER Pre-proline 0 N--CA 1.468 0.43 0 CA-C-N 115.718 -0.673 . . . . 15.0 112.525 176.639 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 114' ' ' PRO . . . . . 0.828 ' HB2' ' HB ' ' A' ' 37' ' ' THR . 11.8 Cg_exo -70.63 131.47 20.06 Favored 'Trans proline' 0 CA--C 1.53 0.278 0 C-N-CA 123.004 2.47 . . . . 15.0 111.51 173.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 115' ' ' PRO . . . . . 0.444 ' HA ' ' HD2' ' B' ' 116' ' ' PRO . 50.6 Cg_exo -58.09 129.32 32.52 Favored 'Trans proline' 0 CA--C 1.531 0.343 0 C-N-CA 122.806 2.338 . . . . 15.0 112.988 173.877 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 116' ' ' PRO . . . . . 0.444 ' HD2' ' HA ' ' B' ' 115' ' ' PRO . 7.0 Cg_endo -49.15 -179.46 0.01 OUTLIER 'Trans proline' 0 N--CA 1.414 -3.162 0 C-N-CA 125.005 3.804 . . . . 15.0 114.579 167.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 117' ' ' TYR . . . . . 0.762 ' HE1' ' HG3' ' A' ' 35' ' ' LYS . 23.1 p90 -71.93 119.8 16.62 Favored 'General case' 1 C--N 1.24 -4.175 1 CA-C-N 106.002 -5.09 . . . . 15.0 110.274 -179.217 . . . . . . . . 4 3 . 1 . 017 nuclear orig full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 11.2 p -90.3 -8.29 10.67 Favored 'Isoleucine or valine' 0 C--O 1.234 0.273 0 CA-C-O 121.735 0.779 . . . . 15.0 109.595 178.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 119' ' ' GLU . . . . . 0.418 ' HA ' ' HD3' ' B' ' 120' ' ' PRO . 18.4 mt-10 -83.46 121.89 76.77 Favored Pre-proline 0 C--N 1.323 -0.557 0 CA-C-N 114.828 -1.078 . . . . 15.0 110.268 -179.367 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 120' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' B' ' 119' ' ' GLU . 2.8 Cg_endo . . . . . 0 C--O 1.249 1.072 0 C-N-CA 122.755 2.304 . . . . 15.0 111.316 177.02 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 53.1 p90 . . . . . 0 N--CA 1.484 1.255 0 CA-C-O 120.753 0.311 . . . . 15.0 111.197 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.704 HD11 ' HG2' ' A' ' 42' ' ' PRO . 3.2 mm? -74.07 154.42 88.61 Favored Pre-proline 0 C--N 1.329 -0.321 0 N-CA-C 109.966 -0.383 . . . . 15.0 109.966 179.166 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.691 ' HB2' ' CD1' ' A' ' 17' ' ' TRP . 16.2 Cg_exo -49.26 150.9 7.05 Favored 'Trans proline' 0 CA--C 1.491 -1.635 0 C-N-CA 123.995 3.13 . . . . 15.0 115.434 176.861 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.78 135.7 55.24 Favored 'General case' 0 C--N 1.285 -2.208 0 CA-C-N 111.74 -2.482 . . . . 15.0 110.233 -172.413 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 79.14 -8.67 44.15 Favored Glycine 0 CA--C 1.522 0.495 0 CA-C-N 115.311 -0.859 . . . . 15.0 112.685 -173.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.691 ' CD1' ' HB2' ' A' ' 14' ' ' PRO . 53.5 m95 -89.87 115.96 27.58 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.283 -0.636 . . . . 15.0 109.283 175.03 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.52 ' O ' ' HA ' ' A' ' 29' ' ' PHE . 33.7 mm-40 -114.15 145.79 41.18 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-O 121.62 0.724 . . . . 15.0 112.234 -176.551 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.447 HG21 ' CD2' ' A' ' 29' ' ' PHE . 8.2 t -109.68 94.6 3.21 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.055 0 CA-C-N 114.231 -1.35 . . . . 15.0 109.72 -179.644 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.652 ' O ' ' HA ' ' A' ' 27' ' ' PRO . 13.5 ttm180 -107.76 146.33 32.31 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.161 -0.681 . . . . 15.0 109.161 177.299 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.723 ' HD2' ' N ' ' A' ' 27' ' ' PRO . 1.0 OUTLIER -111.7 116.5 30.85 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.852 -0.795 . . . . 15.0 108.852 -173.765 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.07 165.29 13.78 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 116.308 -0.406 . . . . 15.0 110.957 -178.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_exo -60.33 -22.96 73.0 Favored 'Trans proline' 0 C--N 1.35 0.611 0 C-N-CA 122.758 2.305 . . . . 15.0 113.291 -178.674 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 28.2 p30 -80.21 -10.15 59.75 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.781 0.8 . . . . 15.0 109.419 176.655 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 83.82 46.9 5.81 Favored Glycine 0 N--CA 1.433 -1.509 0 CA-C-N 114.553 -1.203 . . . . 15.0 112.294 -179.429 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 33.1 mmt180 -120.01 127.3 26.44 Favored Pre-proline 0 C--N 1.322 -0.627 0 N-CA-C 109.277 -0.638 . . . . 15.0 109.277 171.402 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.723 ' N ' ' HD2' ' A' ' 21' ' ' HIS . 97.9 Cg_endo -88.38 106.62 0.51 Allowed 'Trans proline' 0 N--CA 1.451 -0.977 0 C-N-CA 121.768 1.645 . . . . 15.0 111.913 176.799 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.584 ' CD2' ' HD2' ' B' ' 115' ' ' PRO . 0.3 OUTLIER -92.34 122.61 34.96 Favored 'General case' 0 N--CA 1.438 -1.028 0 CA-C-N 113.65 -1.614 . . . . 15.0 108.471 176.877 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.52 ' HA ' ' O ' ' A' ' 18' ' ' GLU . 39.1 m-85 -89.7 113.46 24.97 Favored 'General case' 0 CA--C 1.504 -0.813 0 N-CA-C 109.141 -0.689 . . . . 15.0 109.141 -174.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.438 HG21 ' HB3' ' B' ' 117' ' ' TYR . 36.2 mt -93.59 126.2 46.05 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.14 0 CA-C-N 114.856 -1.066 . . . . 15.0 110.164 -178.068 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -90.07 105.83 18.07 Favored 'General case' 0 C--N 1.304 -1.409 0 N-CA-C 108.174 -1.047 . . . . 15.0 108.174 170.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 13.7 m-70 -83.9 0.04 49.37 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 114.957 -1.02 . . . . 15.0 110.153 -173.711 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 23.4 m-80 -90.1 -72.83 0.55 Allowed 'General case' 0 C--O 1.233 0.184 0 CA-C-N 115.899 -0.591 . . . . 15.0 110.749 179.658 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.0 m -94.67 -2.52 51.1 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.13 0.49 . . . . 15.0 110.648 -173.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.8 mppt? 67.82 83.19 0.17 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.381 -0.827 . . . . 15.0 110.516 -176.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -136.29 150.26 48.82 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 114.553 -1.203 . . . . 15.0 108.639 179.366 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 1.018 ' HB ' ' HB2' ' B' ' 114' ' ' PRO . 4.3 p -140.04 127.03 20.83 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 120.94 0.4 . . . . 15.0 111.618 -176.237 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 9.2 t -150.07 150.17 31.34 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.081 -0.509 . . . . 15.0 109.973 -178.475 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 60.9 m95 -89.1 -11.74 43.14 Favored 'General case' 0 CA--C 1.514 -0.41 0 CA-C-O 120.902 0.382 . . . . 15.0 110.585 -178.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -104.8 160.09 15.27 Favored 'General case' 0 N--CA 1.441 -0.885 0 CA-C-O 121.456 0.646 . . . . 15.0 111.596 -171.055 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.715 ' HB3' ' HG3' ' A' ' 43' ' ' ARG . 6.4 m-20 -83.6 128.2 64.82 Favored Pre-proline 0 C--N 1.318 -0.767 0 CA-C-N 114.825 -1.079 . . . . 15.0 112.41 -167.064 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.704 ' HG2' HD11 ' A' ' 13' ' ' LEU . 34.9 Cg_endo -65.37 -9.74 23.37 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 123.128 2.552 . . . . 15.0 112.223 175.601 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.715 ' HG3' ' HB3' ' A' ' 41' ' ' ASP . 15.8 mtt180 -63.2 -14.68 51.91 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 116.207 -0.451 . . . . 15.0 110.514 -179.101 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 60.0 mt -79.81 -9.73 59.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.72 0.772 . . . . 15.0 111.255 -176.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 22.7 tptp . . . . . 0 C--N 1.308 -1.198 0 CA-C-N 114.892 -1.049 . . . . 15.0 110.082 -179.123 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 93.2 mt-30 . . . . . 0 N--CA 1.477 0.894 0 CA-C-O 120.788 0.328 . . . . 15.0 110.735 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 43.1 mm -117.61 113.04 38.59 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 116.044 -0.525 . . . . 15.0 109.604 178.126 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 114' ' ' PRO . . . . . 1.018 ' HB2' ' HB ' ' A' ' 37' ' ' THR . 3.0 Cg_exo -70.46 122.14 8.64 Favored 'Trans proline' 0 N--CA 1.458 -0.569 0 C-N-CA 121.956 1.771 . . . . 15.0 111.727 177.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 115' ' ' PRO . . . . . 0.584 ' HD2' ' CD2' ' A' ' 28' ' ' PHE . 97.1 Cg_endo -82.4 128.88 5.65 Favored 'Trans proline' 0 N--CA 1.462 -0.339 0 C-N-CA 122.648 2.232 . . . . 15.0 113.007 178.03 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 116' ' ' PRO . . . . . 0.46 ' HD2' ' HA ' ' B' ' 115' ' ' PRO . 6.4 Cg_endo -48.92 -179.71 0.01 OUTLIER 'Trans proline' 0 N--CA 1.414 -3.153 0 C-N-CA 125.054 3.836 . . . . 15.0 115.284 172.601 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 117' ' ' TYR . . . . . 0.438 ' HB3' HG21 ' A' ' 30' ' ' ILE . 31.4 p90 -63.82 135.73 56.84 Favored 'General case' 0 C--N 1.246 -3.922 1 CA-C-N 105.706 -5.224 . . . . 15.0 110.797 -176.056 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 42.6 t -100.29 -24.53 4.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 108.923 -0.769 . . . . 15.0 108.923 177.085 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 18.5 mp0 -65.33 115.95 26.39 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 114.588 -1.187 . . . . 15.0 111.03 -176.479 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 120' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo . . . . . 0 C--O 1.25 1.116 0 C-N-CA 123.343 2.695 . . . . 15.0 112.641 -178.963 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 35.5 p90 . . . . . 0 N--CA 1.48 1.066 0 CA-C-O 120.589 0.233 . . . . 15.0 111.407 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.9 mp -114.91 154.35 47.0 Favored Pre-proline 0 C--O 1.235 0.302 0 CA-C-O 121.055 0.455 . . . . 15.0 111.696 -178.343 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.696 ' HB2' ' CD1' ' A' ' 17' ' ' TRP . 13.4 Cg_exo -49.57 151.24 7.61 Favored 'Trans proline' 0 CA--C 1.495 -1.472 0 C-N-CA 124.564 3.51 . . . . 15.0 115.169 169.112 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.1 mptt -63.38 123.61 19.16 Favored 'General case' 0 C--N 1.287 -2.135 0 CA-C-N 111.522 -2.581 . . . . 15.0 110.732 -173.424 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 87.89 -3.85 85.82 Favored Glycine 0 C--O 1.227 -0.301 0 CA-C-N 115.387 -0.824 . . . . 15.0 112.578 -178.427 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.696 ' CD1' ' HB2' ' A' ' 14' ' ' PRO . 40.9 m95 -89.89 113.62 25.27 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.137 0.494 . . . . 15.0 109.873 176.711 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.636 ' O ' ' HA ' ' A' ' 29' ' ' PHE . 12.7 mm-40 -113.26 148.68 35.09 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.421 -0.809 . . . . 15.0 112.137 -175.208 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.53 HG22 ' CD2' ' A' ' 29' ' ' PHE . 5.6 t -118.35 109.38 26.92 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.061 0 CA-C-N 114.583 -1.19 . . . . 15.0 109.8 178.644 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.733 ' O ' ' HA ' ' A' ' 27' ' ' PRO . 33.2 ttm180 -127.15 149.96 49.72 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.964 -0.384 . . . . 15.0 109.964 176.5 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.717 ' HD2' ' N ' ' A' ' 27' ' ' PRO . 0.1 OUTLIER -103.09 110.67 22.7 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 108.929 -0.767 . . . . 15.0 108.929 -175.618 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.01 159.06 58.8 Favored Pre-proline 0 C--N 1.321 -0.641 0 N-CA-C 110.001 -0.37 . . . . 15.0 110.001 177.305 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -56.45 -15.84 16.56 Favored 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 123.032 2.488 . . . . 15.0 114.191 -176.342 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 29.8 p-10 -80.18 -14.87 58.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.344 0.592 . . . . 15.0 109.734 177.535 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 97.52 29.37 7.87 Favored Glycine 0 N--CA 1.439 -1.163 0 CA-C-N 115.265 -0.88 . . . . 15.0 112.67 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.479 ' C ' ' HD2' ' A' ' 21' ' ' HIS . 23.8 mmt180 -119.31 134.16 23.75 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 122.62 -0.341 . . . . 15.0 111.361 177.718 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.733 ' HA ' ' O ' ' A' ' 20' ' ' ARG . 82.0 Cg_endo -88.55 111.27 0.62 Allowed 'Trans proline' 0 N--CA 1.456 -0.686 0 C-N-CA 122.56 2.173 . . . . 15.0 111.806 175.302 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.503 ' HD1' ' H ' ' A' ' 28' ' ' PHE . 0.4 OUTLIER -96.05 122.26 38.69 Favored 'General case' 0 N--CA 1.437 -1.075 0 CA-C-N 113.931 -1.486 . . . . 15.0 108.784 177.295 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.636 ' HA ' ' O ' ' A' ' 18' ' ' GLU . 15.6 m-85 -89.62 109.39 20.35 Favored 'General case' 0 N--CA 1.44 -0.932 0 N-CA-C 108.674 -0.862 . . . . 15.0 108.674 -176.277 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.712 HG21 ' HB3' ' B' ' 117' ' ' TYR . 32.5 mt -93.82 130.26 43.02 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.083 0 CA-C-N 115.185 -0.916 . . . . 15.0 110.314 -176.369 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -90.02 102.69 15.4 Favored 'General case' 0 C--N 1.306 -1.294 0 N-CA-C 108.262 -1.014 . . . . 15.0 108.262 170.318 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.492 ' NE2' ' HB ' ' A' ' 30' ' ' ILE . 12.0 m170 -80.84 2.99 24.08 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.1 -0.955 . . . . 15.0 110.703 -173.077 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 30.5 m-80 -89.7 -61.77 1.62 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.231 -0.44 . . . . 15.0 110.249 177.061 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.2 m -94.26 3.66 54.93 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-N 116.042 -0.526 . . . . 15.0 111.07 -175.331 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.566 ' HG3' ' CE1' ' B' ' 117' ' ' TYR . 12.8 mptt 67.61 25.5 8.26 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 115.928 -0.578 . . . . 15.0 111.065 176.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 59.9 p -103.6 150.08 24.3 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.195 -0.457 . . . . 15.0 110.596 -175.508 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.504 ' HB ' ' HB2' ' B' ' 114' ' ' PRO . 1.2 p -127.57 148.66 50.35 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 112.355 0.502 . . . . 15.0 112.355 -176.5 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 9.0 t -150.21 150.13 31.15 Favored 'General case' 0 C--O 1.222 -0.368 0 CA-C-N 115.857 -0.611 . . . . 15.0 109.681 177.278 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.421 ' CZ2' ' HG3' ' B' ' 112' ' ' GLN . 81.8 m95 -88.55 -13.85 39.09 Favored 'General case' 0 CA--C 1.508 -0.655 0 CA-C-O 121.039 0.447 . . . . 15.0 110.547 178.826 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -104.49 157.42 17.17 Favored 'General case' 0 N--CA 1.436 -1.138 0 CA-C-O 121.458 0.647 . . . . 15.0 111.202 -169.697 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -79.49 136.18 56.29 Favored Pre-proline 0 C--N 1.317 -0.828 0 CA-C-N 115.01 -0.996 . . . . 15.0 111.809 -166.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_endo -64.97 -9.83 23.02 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.493 2.129 . . . . 15.0 111.857 175.452 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.451 ' HD3' ' HA ' ' A' ' 43' ' ' ARG . 29.4 mmt180 -80.37 -9.57 59.75 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.644 -0.707 . . . . 15.0 110.98 177.67 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 88.9 mt -74.28 -9.89 59.05 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-O 121.679 0.752 . . . . 15.0 110.617 176.71 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 9.2 mptt . . . . . 0 C--N 1.311 -1.073 0 CA-C-N 114.66 -1.154 . . . . 15.0 109.592 176.195 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 112' ' ' GLN . . . . . 0.421 ' HG3' ' CZ2' ' A' ' 39' ' ' TRP . 27.6 tp60 . . . . . 0 N--CA 1.477 0.882 0 N-CA-C 109.808 -0.441 . . . . 15.0 109.808 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 113' ' ' ILE . . . . . 0.772 ' H ' HD12 ' B' ' 113' ' ' ILE . 0.2 OUTLIER -76.76 128.49 81.6 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-N 116.265 -0.425 . . . . 15.0 111.001 179.521 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 114' ' ' PRO . . . . . 0.504 ' HB2' ' HB ' ' A' ' 37' ' ' THR . 57.4 Cg_endo -84.02 122.89 3.03 Favored 'Trans proline' 0 N--CA 1.458 -0.595 0 C-N-CA 122.753 2.302 . . . . 15.0 112.518 175.651 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 115' ' ' PRO . . . . . 0.408 ' HA ' ' HD2' ' B' ' 116' ' ' PRO . 51.5 Cg_exo -58.96 126.41 21.0 Favored 'Trans proline' 0 N--CA 1.475 0.422 0 C-N-CA 123.191 2.594 . . . . 15.0 113.555 175.464 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 116' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' B' ' 115' ' ' PRO . 7.9 Cg_endo -49.47 -179.41 0.01 OUTLIER 'Trans proline' 0 N--CA 1.413 -3.222 0 C-N-CA 124.868 3.712 . . . . 15.0 114.602 165.483 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 117' ' ' TYR . . . . . 0.712 ' HB3' HG21 ' A' ' 30' ' ' ILE . 11.2 p90 -74.48 119.89 19.29 Favored 'General case' 1 C--N 1.242 -4.092 1 CA-C-N 106.153 -5.021 . . . . 15.0 109.951 179.927 . . . . . . . . 4 3 . 1 . 019 nuclear orig full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 8.9 t -90.5 -0.17 8.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 122.024 0.916 . . . . 15.0 109.14 178.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 119' ' ' GLU . . . . . 0.457 ' CD ' HH22 ' A' ' 20' ' ' ARG . 5.3 mm-40 -73.22 122.3 87.3 Favored Pre-proline 0 C--N 1.324 -0.523 0 CA-C-N 114.619 -1.173 . . . . 15.0 110.57 -177.794 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 120' ' ' PRO . . . . . . . . . . . . . 14.7 Cg_exo . . . . . 0 C--O 1.25 1.117 0 C-N-CA 123.166 2.577 . . . . 15.0 111.975 177.266 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 63.2 t80 . . . . . 0 N--CA 1.483 1.19 0 CA-C-O 121.486 0.66 . . . . 15.0 110.847 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.2 mp -109.36 158.55 34.22 Favored Pre-proline 0 C--N 1.316 -0.859 0 CA-C-N 116.223 -0.444 . . . . 15.0 110.464 -179.716 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.702 ' HB2' ' CD1' ' A' ' 17' ' ' TRP . 7.3 Cg_exo -49.54 151.19 7.6 Favored 'Trans proline' 0 CA--C 1.492 -1.599 0 C-N-CA 123.939 3.093 . . . . 15.0 114.943 171.465 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 19.9 pttm -57.06 133.72 55.21 Favored 'General case' 0 C--N 1.289 -2.045 0 CA-C-N 111.489 -2.596 . . . . 15.0 110.941 -172.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 74.22 1.0 59.17 Favored Glycine 0 C--N 1.319 -0.41 0 CA-C-N 115.571 -0.74 . . . . 15.0 113.644 -179.717 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.702 ' CD1' ' HB2' ' A' ' 14' ' ' PRO . 49.1 m95 -89.89 114.58 26.39 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 117.571 0.686 . . . . 15.0 110.236 178.062 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.538 ' O ' ' HA ' ' A' ' 29' ' ' PHE . 2.8 mm-40 -113.86 149.98 34.27 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.275 -0.875 . . . . 15.0 112.096 -175.114 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.48 HG21 ' CD2' ' A' ' 29' ' ' PHE . 12.7 t -118.02 112.74 39.75 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.941 0 CA-C-N 114.489 -1.232 . . . . 15.0 109.574 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.685 ' O ' ' HA ' ' A' ' 27' ' ' PRO . 8.8 ttm180 -128.76 140.41 51.74 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 120.794 -0.362 . . . . 15.0 110.202 177.881 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.729 ' HD2' ' N ' ' A' ' 27' ' ' PRO . 0.0 OUTLIER -89.97 114.84 26.74 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.324 -0.621 . . . . 15.0 109.324 175.918 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.47 163.66 56.73 Favored Pre-proline 0 C--N 1.322 -0.595 0 N-CA-C 109.462 -0.57 . . . . 15.0 109.462 175.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_exo -57.63 -13.1 13.0 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.766 2.311 . . . . 15.0 113.598 -178.317 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 35.0 p-10 -80.56 -18.16 49.21 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-O 121.198 0.523 . . . . 15.0 110.041 -179.413 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 104.33 10.92 32.72 Favored Glycine 0 N--CA 1.441 -0.996 0 C-N-CA 120.75 -0.738 . . . . 15.0 112.872 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.49 ' C ' ' HD2' ' A' ' 21' ' ' HIS . 10.7 mmm180 -111.5 141.56 24.78 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-O 120.84 0.353 . . . . 15.0 111.497 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.729 ' N ' ' HD2' ' A' ' 21' ' ' HIS . 81.3 Cg_endo -88.66 120.11 1.15 Allowed 'Trans proline' 0 N--CA 1.454 -0.798 0 C-N-CA 122.544 2.162 . . . . 15.0 111.585 171.154 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.446 ' HD1' ' H ' ' A' ' 28' ' ' PHE . 0.3 OUTLIER -105.38 122.88 46.89 Favored 'General case' 0 C--N 1.313 -0.998 0 CA-C-N 114.195 -1.366 . . . . 15.0 108.383 176.284 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.538 ' HA ' ' O ' ' A' ' 18' ' ' GLU . 4.0 m-85 -89.86 118.68 29.62 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.606 -0.725 . . . . 15.0 109.386 -174.463 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.678 HG22 ' HB3' ' B' ' 117' ' ' TYR . 22.0 mt -102.9 133.91 45.39 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.905 0 CA-C-N 115.396 -0.82 . . . . 15.0 111.02 -176.052 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -89.92 109.85 20.84 Favored 'General case' 0 C--N 1.31 -1.116 0 N-CA-C 108.002 -1.111 . . . . 15.0 108.002 169.238 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.462 ' NE2' ' HB ' ' A' ' 30' ' ' ILE . 11.9 m170 -89.27 6.57 39.72 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.826 -0.625 . . . . 15.0 110.706 -174.302 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 28.2 m-80 -90.06 -61.0 1.78 Allowed 'General case' 0 N--CA 1.462 0.173 0 CA-C-O 120.998 0.427 . . . . 15.0 110.853 179.433 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 21.5 m -107.13 -8.55 16.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.506 0.669 . . . . 15.0 110.332 -176.216 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.661 ' HB3' ' HZ3' ' A' ' 35' ' ' LYS . 0.0 OUTLIER 72.46 82.84 0.13 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 114.864 -1.062 . . . . 15.0 110.446 179.422 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 7.6 p -141.87 150.11 41.13 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.789 -1.096 . . . . 15.0 108.622 173.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.923 ' HB ' ' HB2' ' B' ' 114' ' ' PRO . 3.5 p -130.55 138.37 50.15 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.171 0.51 . . . . 15.0 112.359 -173.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 7.0 t -150.11 147.0 27.24 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 115.672 -0.695 . . . . 15.0 109.228 179.111 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 31.4 m95 -88.76 -28.69 20.33 Favored 'General case' 0 CA--C 1.508 -0.656 0 CA-C-O 121.73 0.776 . . . . 15.0 110.241 -179.249 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.4 ' CD ' ' H ' ' A' ' 40' ' ' GLU . 2.3 pm0 -84.64 126.83 33.7 Favored 'General case' 0 C--N 1.31 -1.122 0 CA-C-N 114.162 -1.381 . . . . 15.0 110.701 -173.487 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -52.03 133.27 39.93 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 114.234 -1.348 . . . . 15.0 111.531 -174.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_endo -63.93 -11.52 27.5 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.795 2.33 . . . . 15.0 112.69 179.506 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 39.1 mmt180 -80.02 -9.91 59.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.317 -0.401 . . . . 15.0 110.91 178.161 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 90.6 mt -76.68 -9.73 58.87 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.412 0.625 . . . . 15.0 111.54 -178.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 56.3 tttm . . . . . 0 C--N 1.309 -1.173 0 CA-C-N 115.245 -0.889 . . . . 15.0 110.147 -178.383 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 10.6 tp60 . . . . . 0 N--CA 1.478 0.938 0 N-CA-C 109.711 -0.477 . . . . 15.0 109.711 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 70.2 mt -81.19 112.13 30.36 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 116.618 -0.265 . . . . 15.0 110.471 178.443 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 114' ' ' PRO . . . . . 0.923 ' HB2' ' HB ' ' A' ' 37' ' ' THR . 6.3 Cg_exo -72.13 129.48 15.18 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 122.196 1.931 . . . . 15.0 112.321 177.481 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 115' ' ' PRO . . . . . 0.443 ' HA ' ' HD2' ' B' ' 116' ' ' PRO . 53.2 Cg_exo -57.36 130.21 38.05 Favored 'Trans proline' 0 CA--C 1.53 0.306 0 C-N-CA 122.907 2.405 . . . . 15.0 113.046 173.301 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 116' ' ' PRO . . . . . 0.443 ' HD2' ' HA ' ' B' ' 115' ' ' PRO . 6.6 Cg_endo -48.92 -179.47 0.01 OUTLIER 'Trans proline' 0 N--CA 1.415 -3.137 0 C-N-CA 124.764 3.643 . . . . 15.0 114.835 167.6 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 117' ' ' TYR . . . . . 0.678 ' HB3' HG22 ' A' ' 30' ' ' ILE . 30.8 p90 -71.32 148.37 47.15 Favored 'General case' 0 C--N 1.244 -3.987 1 CA-C-N 105.997 -5.092 . . . . 15.0 110.558 -177.66 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 39.2 t -110.74 -28.18 2.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-O 121.594 0.711 . . . . 15.0 109.289 175.287 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 119' ' ' GLU . . . . . 0.449 ' HA ' ' HD3' ' B' ' 120' ' ' PRO . 1.6 mp0 -76.62 119.21 76.41 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-N 114.935 -1.029 . . . . 15.0 110.359 -179.664 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 120' ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' B' ' 119' ' ' GLU . 2.9 Cg_exo . . . . . 0 C--O 1.251 1.166 0 C-N-CA 123.128 2.552 . . . . 15.0 111.968 -179.641 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.93 HD11 HG23 ' A' ' 19' ' ' VAL . 81.9 mt . . . . . 0 CA--C 1.514 -0.431 0 CA-C-O 121.07 0.462 . . . . 15.0 111.413 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.765 ' HB2' ' CD1' ' A' ' 17' ' ' TRP . 1.3 Cg_exo -49.57 151.12 7.77 Favored 'Trans proline' 0 CA--C 1.495 -1.473 0 C-N-CA 123.675 2.917 . . . . 15.0 113.988 160.023 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -61.04 121.17 11.77 Favored 'General case' 0 C--N 1.284 -2.272 0 CA-C-N 111.582 -2.554 . . . . 15.0 110.495 -171.183 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.18 10.94 77.03 Favored Glycine 0 N--CA 1.452 -0.264 0 CA-C-N 115.82 -0.627 . . . . 15.0 112.788 179.436 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.765 ' CD1' ' HB2' ' A' ' 14' ' ' PRO . 37.0 m95 -96.24 139.98 31.59 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.212 0.529 . . . . 15.0 111.111 178.29 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.664 ' O ' ' HA ' ' A' ' 29' ' ' PHE . 0.9 OUTLIER -122.31 150.28 42.58 Favored 'General case' 0 CA--C 1.504 -0.794 0 CA-C-N 115.332 -0.849 . . . . 15.0 111.643 -178.233 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.93 HG23 HD11 ' A' ' 13' ' ' LEU . 33.9 t -122.72 90.09 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.487 0 CA-C-N 113.881 -1.508 . . . . 15.0 108.05 170.017 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.753 ' O ' ' HA ' ' A' ' 27' ' ' PRO . 19.9 ttm180 -115.01 141.3 48.19 Favored 'General case' 0 C--N 1.319 -0.735 0 C-N-CA 120.603 -0.439 . . . . 15.0 110.326 -176.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.583 ' CE1' ' HD3' ' A' ' 27' ' ' PRO . 0.2 OUTLIER -98.0 113.54 25.42 Favored 'General case' 0 C--N 1.315 -0.907 0 N-CA-C 108.512 -0.922 . . . . 15.0 108.512 -178.582 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.409 ' HB3' ' OD1' ' A' ' 24' ' ' ASN . . . -66.95 162.24 55.1 Favored Pre-proline 0 C--N 1.322 -0.621 0 N-CA-C 109.465 -0.568 . . . . 15.0 109.465 177.129 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -59.28 -11.42 13.22 Favored 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 122.727 2.285 . . . . 15.0 113.368 -178.448 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.409 ' OD1' ' HB3' ' A' ' 22' ' ' ALA . 16.6 p30 -80.54 -11.42 59.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.431 0.634 . . . . 15.0 109.847 175.705 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 88.36 28.06 23.49 Favored Glycine 0 N--CA 1.438 -1.176 0 CA-C-N 115.177 -0.92 . . . . 15.0 112.658 179.705 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -121.06 133.86 24.25 Favored Pre-proline 0 C--N 1.321 -0.638 0 O-C-N 122.669 -0.312 . . . . 15.0 110.377 178.767 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.753 ' HA ' ' O ' ' A' ' 20' ' ' ARG . 83.3 Cg_endo -88.81 112.64 0.63 Allowed 'Trans proline' 0 N--CA 1.456 -0.68 0 C-N-CA 122.295 1.997 . . . . 15.0 112.154 176.559 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.534 ' H ' ' HD1' ' A' ' 28' ' ' PHE . 0.5 OUTLIER -100.36 125.21 46.58 Favored 'General case' 0 N--CA 1.442 -0.871 0 CA-C-N 113.795 -1.548 . . . . 15.0 108.932 177.451 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.664 ' HA ' ' O ' ' A' ' 18' ' ' GLU . 9.0 m-85 -89.94 115.22 27.08 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.828 -0.624 . . . . 15.0 109.858 -174.609 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.92 HG21 ' HB3' ' B' ' 117' ' ' TYR . 18.7 mt -97.59 137.72 24.43 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-N 115.71 -0.677 . . . . 15.0 111.075 -177.159 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.412 ' HB3' ' OG1' ' A' ' 36' ' ' THR . 8.4 t70 -100.52 106.22 17.73 Favored 'General case' 0 C--N 1.311 -1.079 0 N-CA-C 108.494 -0.928 . . . . 15.0 108.494 168.345 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.413 ' CE1' ' HB2' ' B' ' 117' ' ' TYR . 12.1 m170 -81.68 0.99 36.24 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 114.81 -1.086 . . . . 15.0 111.181 -171.047 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 26.5 m-80 -90.12 -60.18 2.0 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.973 -0.558 . . . . 15.0 110.787 -179.636 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.8 m -101.29 16.05 26.81 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.342 -0.39 . . . . 15.0 111.424 -173.783 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.878 ' HD3' ' HE1' ' B' ' 117' ' ' TYR . 70.0 mmtt 66.24 21.38 11.06 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 116.204 -0.453 . . . . 15.0 111.292 175.607 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.412 ' OG1' ' HB3' ' A' ' 31' ' ' ASP . 47.1 p -97.86 150.16 21.59 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.781 -0.367 . . . . 15.0 110.644 -173.599 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.718 ' HB ' ' HG2' ' B' ' 114' ' ' PRO . 4.2 p -133.23 142.46 48.58 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.665 0.269 . . . . 15.0 111.094 179.63 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.683 ' OG1' ' HG3' ' A' ' 40' ' ' GLU . 8.8 t -150.11 150.28 31.46 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.418 -0.356 . . . . 15.0 110.823 -178.465 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 62.5 m95 -89.4 -10.68 45.62 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.097 0.475 . . . . 15.0 110.381 179.322 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.683 ' HG3' ' OG1' ' A' ' 38' ' ' THR . 2.6 pp20? -95.04 159.04 15.2 Favored 'General case' 0 N--CA 1.443 -0.812 0 CA-C-N 115.731 -0.668 . . . . 15.0 109.969 -174.752 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.451 ' HA ' ' HD2' ' A' ' 42' ' ' PRO . 38.8 t0 -114.98 118.69 40.21 Favored Pre-proline 0 C--N 1.32 -0.687 0 CA-C-N 116.118 -0.492 . . . . 15.0 111.552 -169.001 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.451 ' HD2' ' HA ' ' A' ' 41' ' ' ASP . 28.0 Cg_endo -63.14 -17.64 61.16 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 123.341 2.694 . . . . 15.0 112.216 176.794 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.414 ' HB3' ' OD2' ' A' ' 41' ' ' ASP . 26.0 ttp180 -77.42 -24.5 50.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.908 -0.587 . . . . 15.0 110.926 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 84.4 mt -77.35 -9.85 59.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.532 0.682 . . . . 15.0 111.348 -177.688 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.307 -1.254 0 CA-C-N 114.926 -1.034 . . . . 15.0 108.847 179.236 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 . . . . . 0 N--CA 1.481 1.086 0 N-CA-C 109.757 -0.461 . . . . 15.0 109.757 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 113' ' ' ILE . . . . . 0.728 ' H ' HD13 ' B' ' 113' ' ' ILE . 0.2 OUTLIER -107.07 125.03 33.51 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 120.918 0.39 . . . . 15.0 111.952 -172.905 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 114' ' ' PRO . . . . . 0.718 ' HG2' ' HB ' ' A' ' 37' ' ' THR . 50.5 Cg_endo -84.06 128.81 4.44 Favored 'Trans proline' 0 N--CA 1.458 -0.569 0 C-N-CA 122.785 2.323 . . . . 15.0 112.274 175.637 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 115' ' ' PRO . . . . . 0.448 ' HA ' ' HD2' ' B' ' 116' ' ' PRO . 52.4 Cg_exo -55.49 127.36 25.88 Favored 'Trans proline' 0 N--CA 1.477 0.514 0 C-N-CA 123.053 2.502 . . . . 15.0 113.912 176.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 116' ' ' PRO . . . . . 0.448 ' HD2' ' HA ' ' B' ' 115' ' ' PRO . 7.9 Cg_endo -49.67 -179.58 0.02 OUTLIER 'Trans proline' 0 N--CA 1.416 -3.068 0 C-N-CA 125.017 3.811 . . . . 15.0 115.076 167.124 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 117' ' ' TYR . . . . . 0.92 ' HB3' HG21 ' A' ' 30' ' ' ILE . 3.0 p90 -93.1 139.42 30.59 Favored 'General case' 1 C--N 1.243 -4.031 1 CA-C-N 105.807 -5.179 . . . . 15.0 110.421 -178.969 . . . . . . . . 4 3 . 1 . 001 nuclear build core ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 45.7 t -106.03 -43.82 7.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 121.658 0.742 . . . . 15.0 109.049 172.814 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 119' ' ' GLU . . . . . 0.521 ' H ' ' CD ' ' B' ' 119' ' ' GLU . 1.5 pm0 . . . . . 0 C--N 1.321 -0.652 0 CA-C-N 114.765 -1.107 . . . . 15.0 110.561 178.433 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.431 HD13 ' HA ' ' A' ' 13' ' ' LEU . 3.9 mm? . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.724 0.297 . . . . 15.0 110.949 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.751 ' HB2' ' CD1' ' A' ' 17' ' ' TRP . 5.7 Cg_exo -49.8 151.44 8.11 Favored 'Trans proline' 0 CA--C 1.498 -1.288 0 C-N-CA 124.522 3.481 . . . . 15.0 115.27 171.306 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 53.7 tttm -52.51 120.42 5.59 Favored 'General case' 0 C--N 1.296 -1.74 0 CA-C-N 111.355 -2.657 . . . . 15.0 111.47 -173.506 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 82.31 3.32 90.59 Favored Glycine 0 N--CA 1.45 -0.401 0 CA-C-N 115.948 -0.569 . . . . 15.0 112.922 176.374 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.751 ' CD1' ' HB2' ' A' ' 14' ' ' PRO . 45.6 m95 -90.05 122.49 33.09 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.411 0.624 . . . . 15.0 110.454 177.616 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.729 ' O ' ' HA ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -106.76 150.34 26.4 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 115.188 -0.914 . . . . 15.0 110.708 -178.992 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.542 HG22 ' CD2' ' A' ' 29' ' ' PHE . 13.9 t -132.21 89.94 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.486 0 CA-C-N 114.575 -1.193 . . . . 15.0 108.956 176.725 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.706 ' O ' ' HA ' ' A' ' 27' ' ' PRO . 15.7 ttm180 -117.58 147.28 42.98 Favored 'General case' 0 C--N 1.316 -0.886 0 C-N-CA 120.455 -0.498 . . . . 15.0 110.086 -177.314 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.569 ' CE1' ' HD3' ' A' ' 27' ' ' PRO . 0.3 OUTLIER -104.76 109.79 21.88 Favored 'General case' 0 C--N 1.31 -1.136 0 N-CA-C 108.15 -1.056 . . . . 15.0 108.15 -173.974 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.08 163.67 22.47 Favored Pre-proline 0 C--N 1.323 -0.582 0 O-C-N 123.284 0.365 . . . . 15.0 110.25 -179.218 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_exo -58.14 -15.13 21.85 Favored 'Trans proline' 0 C--N 1.35 0.637 0 C-N-CA 122.684 2.256 . . . . 15.0 113.47 -178.723 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 19.5 p30 -80.43 -10.07 59.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.346 0.593 . . . . 15.0 109.693 176.504 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 86.78 27.83 28.1 Favored Glycine 0 N--CA 1.439 -1.156 0 CA-C-N 115.21 -0.905 . . . . 15.0 112.704 178.68 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -117.78 134.37 23.25 Favored Pre-proline 0 C--N 1.326 -0.452 0 N-CA-C 110.082 -0.34 . . . . 15.0 110.082 177.705 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.706 ' HA ' ' O ' ' A' ' 20' ' ' ARG . 98.9 Cg_endo -88.81 117.83 0.91 Allowed 'Trans proline' 0 N--CA 1.456 -0.705 0 C-N-CA 122.451 2.1 . . . . 15.0 112.208 176.365 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.453 ' CE2' HD11 ' A' ' 30' ' ' ILE . 1.1 p90 -104.61 121.76 44.21 Favored 'General case' 0 N--CA 1.437 -1.106 0 CA-C-N 114.155 -1.384 . . . . 15.0 108.924 177.738 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.729 ' HA ' ' O ' ' A' ' 18' ' ' GLU . 6.6 m-85 -89.71 118.33 29.24 Favored 'General case' 0 N--CA 1.442 -0.87 0 CA-C-N 115.576 -0.738 . . . . 15.0 109.345 -176.648 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.895 HG21 ' HB3' ' B' ' 117' ' ' TYR . 14.3 mt -105.1 136.74 37.6 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.937 0 CA-C-N 115.833 -0.622 . . . . 15.0 110.794 -177.88 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.546 ' HB3' ' HB ' ' A' ' 36' ' ' THR . 0.4 OUTLIER -89.99 109.76 20.78 Favored 'General case' 0 C--N 1.309 -1.191 0 CA-C-N 114.891 -1.05 . . . . 15.0 108.596 169.821 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.571 ' NE2' ' HB ' ' A' ' 30' ' ' ILE . 13.0 m170 -93.31 1.89 56.8 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.024 -0.989 . . . . 15.0 110.753 -173.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 13.3 m-80 -84.6 -22.74 29.89 Favored 'General case' 0 CA--C 1.516 -0.351 0 N-CA-C 109.416 -0.587 . . . . 15.0 109.416 177.34 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.767 HG22 ' HG3' ' A' ' 35' ' ' LYS . 24.8 m -135.54 -79.08 0.43 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.743 -0.662 . . . . 15.0 111.064 179.125 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.767 ' HG3' HG22 ' A' ' 34' ' ' THR . 0.0 OUTLIER 173.99 24.45 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 111.621 0.23 . . . . 15.0 111.621 -178.148 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.546 ' HB ' ' HB3' ' A' ' 31' ' ' ASP . 1.0 OUTLIER -89.83 150.44 22.24 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 120.517 -0.473 . . . . 15.0 110.426 -168.134 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 37' ' ' THR . . . . . 1.026 ' HB ' ' HB2' ' B' ' 114' ' ' PRO . 16.9 p -139.39 132.9 30.3 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.089 0.471 . . . . 15.0 111.709 -177.252 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.548 ' OG1' ' HG3' ' A' ' 40' ' ' GLU . 8.1 t -150.08 150.0 31.09 Favored 'General case' 0 C--O 1.221 -0.433 0 CA-C-N 116.034 -0.53 . . . . 15.0 110.198 -179.69 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 64.4 m95 -91.89 -14.19 30.04 Favored 'General case' 0 CA--C 1.511 -0.524 0 CA-C-O 121.441 0.639 . . . . 15.0 110.345 177.609 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.548 ' HG3' ' OG1' ' A' ' 38' ' ' THR . 0.3 OUTLIER -94.25 157.88 15.85 Favored 'General case' 0 N--CA 1.437 -1.125 0 CA-C-N 115.622 -0.717 . . . . 15.0 110.503 -173.424 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.674 ' OD1' ' HB3' ' A' ' 43' ' ' ARG . 10.0 t0 -98.49 128.99 31.36 Favored Pre-proline 0 C--N 1.316 -0.882 0 CA-C-N 115.609 -0.723 . . . . 15.0 111.233 -163.467 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -66.88 -12.75 37.27 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 123.001 2.467 . . . . 15.0 112.612 178.571 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.674 ' HB3' ' OD1' ' A' ' 41' ' ' ASP . 9.9 ttp180 -79.46 -14.91 58.59 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.806 0.812 . . . . 15.0 110.051 175.878 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 85.8 mt -78.65 -9.47 59.4 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.183 -0.917 . . . . 15.0 110.146 174.461 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt . . . . . 0 C--O 1.249 1.031 0 CA-C-N 114.667 -1.152 . . . . 15.0 109.724 178.011 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.48 1.041 0 N-CA-C 110.101 -0.333 . . . . 15.0 110.101 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 113' ' ' ILE . . . . . 0.417 ' H ' HG13 ' B' ' 113' ' ' ILE . 56.4 mt -45.9 118.32 4.28 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.073 0.858 . . . . 15.0 111.859 179.246 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 114' ' ' PRO . . . . . 1.026 ' HB2' ' HB ' ' A' ' 37' ' ' THR . 23.8 Cg_exo -62.96 132.87 38.75 Favored 'Trans proline' 0 CA--C 1.533 0.427 0 C-N-CA 122.648 2.232 . . . . 15.0 111.901 176.361 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 115' ' ' PRO . . . . . 0.415 ' HA ' ' HD2' ' B' ' 116' ' ' PRO . 39.1 Cg_exo -58.12 123.71 14.27 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.707 2.271 . . . . 15.0 113.074 175.03 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 116' ' ' PRO . . . . . 0.415 ' HD2' ' HA ' ' B' ' 115' ' ' PRO . 6.5 Cg_endo -48.86 -179.53 0.01 OUTLIER 'Trans proline' 0 N--CA 1.416 -3.072 0 C-N-CA 125.182 3.921 . . . . 15.0 114.602 167.853 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 117' ' ' TYR . . . . . 0.895 ' HB3' HG21 ' A' ' 30' ' ' ILE . 8.1 p90 -93.68 123.49 37.05 Favored 'General case' 1 C--N 1.239 -4.207 1 CA-C-N 105.964 -5.107 . . . . 15.0 110.149 -178.742 . . . . . . . . 4 3 . 1 . 002 nuclear build core ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 27.6 m -98.31 -0.97 10.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.726 0.774 . . . . 15.0 109.475 173.601 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 . . . . . 0 C--N 1.321 -0.637 0 CA-C-N 114.564 -1.198 . . . . 15.0 110.087 -177.867 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.664 HD12 ' HG2' ' A' ' 42' ' ' PRO . 3.3 mm? . . . . . 0 C--O 1.237 0.403 0 N-CA-C 109.784 -0.45 . . . . 15.0 109.784 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.756 ' HB2' ' CD1' ' A' ' 17' ' ' TRP . 13.0 Cg_exo -49.87 151.3 8.47 Favored 'Trans proline' 0 CA--C 1.491 -1.667 0 C-N-CA 123.737 2.958 . . . . 15.0 114.697 170.151 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.454 ' HD3' ' HA ' ' A' ' 15' ' ' LYS . 27.4 mmtp -67.5 128.21 35.58 Favored 'General case' 0 C--N 1.283 -2.307 0 CA-C-N 112.01 -2.359 . . . . 15.0 111.225 -171.766 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.16 -4.53 85.39 Favored Glycine 0 C--O 1.225 -0.441 0 CA-C-N 114.903 -1.044 . . . . 15.0 112.216 -174.617 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.756 ' CD1' ' HB2' ' A' ' 14' ' ' PRO . 40.3 m95 -89.75 123.89 34.15 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.007 0.432 . . . . 15.0 109.861 176.025 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.449 ' O ' ' HA ' ' A' ' 29' ' ' PHE . 23.2 mt-10 -124.17 140.9 52.52 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-O 121.973 0.892 . . . . 15.0 112.261 -176.094 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.512 HG22 ' CD2' ' A' ' 29' ' ' PHE . 9.9 t -111.2 100.59 11.08 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.553 0 CA-C-N 113.851 -1.522 . . . . 15.0 109.654 -179.491 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.659 ' O ' ' HA ' ' A' ' 27' ' ' PRO . 0.1 OUTLIER -117.51 145.4 44.24 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.675 -0.491 . . . . 15.0 109.675 179.351 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.61 ' CE1' ' HD3' ' A' ' 27' ' ' PRO . 1.0 OUTLIER -90.02 113.25 24.9 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.173 -0.677 . . . . 15.0 109.173 176.084 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.24 164.86 55.91 Favored Pre-proline 0 C--N 1.32 -0.706 0 CA-C-N 116.231 -0.441 . . . . 15.0 110.01 177.132 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -56.3 -9.8 3.96 Favored 'Trans proline' 0 C--N 1.35 0.65 0 C-N-CA 123.248 2.632 . . . . 15.0 113.192 177.696 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 62.8 t30 -80.02 -9.99 59.74 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.667 -0.864 . . . . 15.0 108.667 178.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 83.87 33.09 22.27 Favored Glycine 0 N--CA 1.44 -1.07 0 CA-C-N 114.914 -1.039 . . . . 15.0 111.655 179.647 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.436 ' O ' ' HA ' ' A' ' 21' ' ' HIS . 29.4 mmt180 -140.59 146.51 45.12 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-O 120.598 0.237 . . . . 15.0 110.739 -173.693 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.659 ' HA ' ' O ' ' A' ' 20' ' ' ARG . 84.0 Cg_endo -88.29 112.61 0.72 Allowed 'Trans proline' 0 N--CA 1.46 -0.474 0 C-N-CA 122.754 2.303 . . . . 15.0 111.994 174.874 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.603 ' H ' ' HD1' ' A' ' 28' ' ' PHE . 0.4 OUTLIER -99.8 124.39 45.03 Favored 'General case' 0 N--CA 1.438 -1.032 0 CA-C-N 114.484 -1.234 . . . . 15.0 108.062 174.179 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.512 ' CD2' HG22 ' A' ' 19' ' ' VAL . 5.7 m-85 -89.74 113.53 25.06 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.422 -0.808 . . . . 15.0 109.096 -174.636 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.676 HG21 ' HB3' ' B' ' 117' ' ' TYR . 20.4 mt -98.65 130.65 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.3 0 CA-C-N 115.243 -0.889 . . . . 15.0 111.002 -177.802 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -90.35 103.32 16.01 Favored 'General case' 0 C--N 1.304 -1.39 0 CA-C-N 114.628 -1.169 . . . . 15.0 108.364 168.338 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.468 ' CD2' ' HB ' ' A' ' 30' ' ' ILE . 12.3 m-70 -81.24 1.77 30.84 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 114.792 -1.095 . . . . 15.0 110.828 -173.706 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 26.5 m-80 -89.11 -46.81 8.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 15.0 110.879 179.407 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -115.55 10.02 15.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.416 -0.357 . . . . 15.0 111.944 -173.636 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.516 ' HD3' ' CE2' ' B' ' 117' ' ' TYR . 0.0 OUTLIER 70.64 18.91 6.26 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 121.161 0.505 . . . . 15.0 110.742 176.513 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 69.7 p -97.97 150.28 21.53 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 121.976 -0.453 . . . . 15.0 110.73 -173.861 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.714 ' HB ' ' HB2' ' B' ' 114' ' ' PRO . 1.6 p -125.28 150.25 47.27 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.192 0.52 . . . . 15.0 112.124 -178.691 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 53.7 m -147.88 148.18 30.55 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.603 -0.726 . . . . 15.0 110.003 -176.738 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 93.2 m95 -90.69 -35.87 14.67 Favored 'General case' 0 CA--C 1.504 -0.825 0 CA-C-O 121.818 0.818 . . . . 15.0 110.578 177.229 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -88.08 160.9 17.61 Favored 'General case' 0 N--CA 1.431 -1.424 0 CA-C-N 114.411 -1.268 . . . . 15.0 110.888 -170.207 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.636 ' OD1' ' HB3' ' A' ' 43' ' ' ARG . 10.1 t70 -92.21 122.73 64.29 Favored Pre-proline 0 C--N 1.316 -0.863 0 CA-C-N 115.477 -0.783 . . . . 15.0 111.031 -163.665 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.664 ' HG2' HD12 ' A' ' 13' ' ' LEU . 38.5 Cg_endo -67.71 -12.38 35.31 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 123.041 2.494 . . . . 15.0 113.475 -176.494 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.636 ' HB3' ' OD1' ' A' ' 41' ' ' ASP . 0.6 OUTLIER -78.18 -20.19 52.42 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.717 0.77 . . . . 15.0 109.647 176.495 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 90.8 mt -74.83 -9.66 58.76 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 114.948 -1.024 . . . . 15.0 111.169 178.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 62.2 mttm . . . . . 0 C--O 1.251 1.172 0 CA-C-N 114.848 -1.069 . . . . 15.0 110.256 -179.841 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 . . . . . 0 N--CA 1.482 1.144 0 N-CA-C 110.262 -0.273 . . . . 15.0 110.262 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 113' ' ' ILE . . . . . 0.569 HD12 ' HD2' ' B' ' 114' ' ' PRO . 6.8 tp -153.95 120.13 2.82 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-N 116.516 -0.311 . . . . 15.0 110.667 -179.381 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 114' ' ' PRO . . . . . 0.714 ' HB2' ' HB ' ' A' ' 37' ' ' THR . 35.8 Cg_endo -87.8 119.69 1.33 Allowed 'Trans proline' 0 N--CA 1.453 -0.889 0 C-N-CA 122.272 1.982 . . . . 15.0 112.155 173.518 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 115' ' ' PRO . . . . . 0.475 ' HA ' ' HD2' ' B' ' 116' ' ' PRO . 36.9 Cg_exo -64.51 127.8 19.78 Favored 'Trans proline' 0 N--CA 1.475 0.411 0 C-N-CA 123.111 2.541 . . . . 15.0 113.245 174.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 116' ' ' PRO . . . . . 0.475 ' HD2' ' HA ' ' B' ' 115' ' ' PRO . 6.7 Cg_endo -48.94 -179.58 0.01 OUTLIER 'Trans proline' 0 N--CA 1.414 -3.165 0 C-N-CA 124.723 3.616 . . . . 15.0 114.746 169.38 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 117' ' ' TYR . . . . . 0.676 ' HB3' HG21 ' A' ' 30' ' ' ILE . 1.9 p90 -76.96 119.75 21.13 Favored 'General case' 1 C--N 1.239 -4.229 1 CA-C-N 106.221 -4.991 . . . . 15.0 110.408 -177.471 . . . . . . . . 4 3 . 1 . 003 nuclear build core ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 11.2 p -100.68 -16.49 7.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 108.159 -1.052 . . . . 15.0 108.159 169.109 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 119' ' ' GLU . . . . . 0.466 ' O ' ' HD1' ' B' ' 117' ' ' TYR . 1.3 mm-40 . . . . . 0 C--N 1.324 -0.501 0 CA-C-N 114.177 -1.374 . . . . 15.0 109.09 178.635 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.68 HD12 ' HG2' ' A' ' 42' ' ' PRO . 3.2 mm? . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.381 0.134 . . . . 15.0 110.771 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.685 ' HB2' ' CD1' ' A' ' 17' ' ' TRP . 4.1 Cg_exo -49.38 151.26 7.04 Favored 'Trans proline' 0 CA--C 1.494 -1.494 0 C-N-CA 124.053 3.169 . . . . 15.0 115.211 167.751 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 20.7 pttp -60.32 140.41 57.12 Favored 'General case' 0 C--N 1.288 -2.069 0 CA-C-N 111.626 -2.534 . . . . 15.0 110.422 -173.819 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 75.57 -8.24 21.13 Favored Glycine 0 C--N 1.318 -0.453 0 CA-C-N 115.524 -0.762 . . . . 15.0 113.094 -176.834 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.685 ' CD1' ' HB2' ' A' ' 14' ' ' PRO . 62.1 m95 -89.84 112.65 24.05 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 117.476 0.638 . . . . 15.0 109.882 177.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.516 ' O ' ' HA ' ' A' ' 29' ' ' PHE . 41.8 mm-40 -108.83 146.16 34.12 Favored 'General case' 0 C--N 1.312 -1.041 0 CA-C-N 115.452 -0.794 . . . . 15.0 111.916 -175.109 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.514 HG22 ' CD2' ' A' ' 29' ' ' PHE . 16.3 t -113.06 101.72 12.9 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.02 0 CA-C-N 114.356 -1.293 . . . . 15.0 109.521 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.718 ' O ' ' HA ' ' A' ' 27' ' ' PRO . 20.5 tpp180 -116.56 144.9 43.8 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.761 -0.459 . . . . 15.0 109.761 179.132 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.493 ' CE1' ' HD3' ' A' ' 27' ' ' PRO . 1.8 t60 -107.82 110.04 21.74 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.673 -1.232 . . . . 15.0 107.673 -178.197 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.95 160.35 8.69 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 116.451 -0.341 . . . . 15.0 110.177 -178.675 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_exo -56.86 -18.4 27.41 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.494 2.129 . . . . 15.0 113.168 -178.857 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 20.6 p30 -80.45 -13.11 59.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.407 0.623 . . . . 15.0 109.82 177.534 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 88.39 37.62 7.52 Favored Glycine 0 N--CA 1.436 -1.359 0 CA-C-N 115.06 -0.973 . . . . 15.0 112.546 -179.665 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -120.67 126.59 26.65 Favored Pre-proline 0 C--N 1.321 -0.671 0 N-CA-C 109.3 -0.63 . . . . 15.0 109.3 173.794 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.718 ' HA ' ' O ' ' A' ' 20' ' ' ARG . 72.6 Cg_endo -89.01 117.53 0.84 Allowed 'Trans proline' 0 N--CA 1.453 -0.885 0 C-N-CA 122.226 1.951 . . . . 15.0 112.391 178.3 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.427 ' H ' ' HD1' ' A' ' 28' ' ' PHE . 0.7 OUTLIER -105.47 122.28 45.67 Favored 'General case' 0 N--CA 1.439 -1.022 0 CA-C-N 113.625 -1.625 . . . . 15.0 108.961 178.769 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.516 ' HA ' ' O ' ' A' ' 18' ' ' GLU . 7.2 m-85 -89.87 114.2 25.93 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.337 -0.616 . . . . 15.0 109.337 -175.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.728 HG21 ' HB3' ' B' ' 117' ' ' TYR . 17.3 mt -99.0 138.17 24.25 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 115.576 -0.738 . . . . 15.0 111.177 -175.301 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -92.31 112.82 24.91 Favored 'General case' 0 C--N 1.309 -1.188 0 CA-C-N 115.311 -0.859 . . . . 15.0 108.823 168.724 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.681 ' CE1' ' HB2' ' B' ' 117' ' ' TYR . 12.3 m170 -93.94 4.54 53.77 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.417 -0.811 . . . . 15.0 110.613 -175.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 22.0 m-80 -89.81 -63.59 1.26 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.048 0.451 . . . . 15.0 110.31 178.865 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.419 ' O ' ' HB3' ' A' ' 35' ' ' LYS . 11.0 m -106.57 -3.53 20.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.862 -0.608 . . . . 15.0 110.974 -174.905 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.588 ' HD2' ' HB3' ' B' ' 116' ' ' PRO . 4.9 tppp? 70.34 85.93 0.13 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.713 -0.676 . . . . 15.0 111.222 -179.074 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.8 p -143.68 150.04 38.12 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.558 -0.746 . . . . 15.0 109.059 172.145 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.981 ' HB ' ' HB2' ' B' ' 114' ' ' PRO . 33.2 p -127.88 137.48 52.34 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.097 0.475 . . . . 15.0 112.12 -175.861 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.514 ' OG1' ' HG3' ' A' ' 40' ' ' GLU . 9.7 t -150.14 150.08 31.15 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.85 -0.614 . . . . 15.0 109.79 178.715 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 67.0 m95 -90.31 -10.68 43.22 Favored 'General case' 0 CA--C 1.513 -0.451 0 CA-C-O 121.086 0.469 . . . . 15.0 109.899 178.073 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.514 ' HG3' ' OG1' ' A' ' 38' ' ' THR . 0.8 OUTLIER -104.53 157.4 17.19 Favored 'General case' 0 N--CA 1.441 -0.875 0 CA-C-N 115.543 -0.753 . . . . 15.0 110.407 -174.116 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -92.79 135.68 25.88 Favored Pre-proline 0 C--N 1.319 -0.76 0 N-CA-C 113.101 0.778 . . . . 15.0 113.101 -164.745 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.68 ' HG2' HD12 ' A' ' 13' ' ' LEU . 58.7 Cg_endo -73.22 -9.91 23.72 Favored 'Trans proline' 0 CA--C 1.531 0.367 0 C-N-CA 123.294 2.663 . . . . 15.0 112.817 176.54 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 16.1 tpp180 -76.71 -32.09 57.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.078 0.466 . . . . 15.0 110.75 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.447 ' HA ' HD23 ' A' ' 44' ' ' LEU . 9.6 mt -80.14 -9.41 59.71 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.923 -0.58 . . . . 15.0 112.167 -179.645 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.691 ' HE2' ' HA ' ' A' ' 45' ' ' LYS . 9.8 mmpt? . . . . . 0 C--O 1.25 1.084 0 CA-C-N 115.463 -0.789 . . . . 15.0 110.229 -179.702 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 27.2 mp0 . . . . . 0 N--CA 1.482 1.134 0 CA-C-O 120.616 0.246 . . . . 15.0 110.397 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 50.8 mm -98.97 110.99 59.71 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 116.121 -0.49 . . . . 15.0 110.566 -177.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 114' ' ' PRO . . . . . 0.981 ' HB2' ' HB ' ' A' ' 37' ' ' THR . 12.1 Cg_exo -68.05 128.04 17.0 Favored 'Trans proline' 0 CA--C 1.531 0.37 0 C-N-CA 122.569 2.18 . . . . 15.0 112.142 177.644 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 115' ' ' PRO . . . . . 0.458 ' HA ' ' HD2' ' B' ' 116' ' ' PRO . 31.7 Cg_exo -60.59 126.67 20.47 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.642 2.228 . . . . 15.0 112.747 173.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 116' ' ' PRO . . . . . 0.588 ' HB3' ' HD2' ' A' ' 35' ' ' LYS . 7.3 Cg_endo -49.21 -179.49 0.01 OUTLIER 'Trans proline' 0 N--CA 1.414 -3.151 0 C-N-CA 125.121 3.88 . . . . 15.0 114.919 169.033 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 117' ' ' TYR . . . . . 0.728 ' HB3' HG21 ' A' ' 30' ' ' ILE . 2.0 p90 -81.99 128.49 34.13 Favored 'General case' 0 C--N 1.244 -3.996 1 CA-C-N 105.993 -5.094 . . . . 15.0 110.12 -178.971 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 19.8 m -109.79 -12.06 11.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 121.532 0.682 . . . . 15.0 109.255 175.324 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 CA-C-N 114.962 -1.017 . . . . 15.0 109.255 176.159 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.495 ' HB2' ' HG2' ' A' ' 42' ' ' PRO . 4.4 pp . . . . . 0 CA--C 1.53 0.199 0 CA-C-O 120.582 0.229 . . . . 15.0 110.588 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.803 ' HB2' ' CD1' ' A' ' 17' ' ' TRP . 30.5 Cg_exo -49.72 151.23 8.08 Favored 'Trans proline' 0 CA--C 1.497 -1.329 0 C-N-CA 124.819 3.679 . . . . 15.0 116.748 -178.746 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.2 mtpm? -71.15 135.92 47.86 Favored 'General case' 0 C--N 1.293 -1.876 0 CA-C-N 111.061 -2.791 . . . . 15.0 110.562 -177.182 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 83.28 2.91 90.32 Favored Glycine 0 C--N 1.319 -0.397 0 CA-C-N 115.613 -0.721 . . . . 15.0 111.545 -177.114 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.803 ' CD1' ' HB2' ' A' ' 14' ' ' PRO . 26.5 m95 -93.58 111.32 22.97 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.51 0.672 . . . . 15.0 109.966 176.111 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.666 ' O ' ' HA ' ' A' ' 29' ' ' PHE . 4.9 mt-10 -99.76 150.17 22.6 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.128 -0.942 . . . . 15.0 111.482 -175.791 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.523 HG22 ' CD2' ' A' ' 29' ' ' PHE . 15.8 t -118.38 89.92 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.347 0 CA-C-N 114.622 -1.172 . . . . 15.0 109.113 175.38 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.632 ' O ' ' HA ' ' A' ' 27' ' ' PRO . 18.6 ttm180 -102.32 135.59 43.65 Favored 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 120.643 -0.423 . . . . 15.0 110.142 -178.766 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.51 ' CE1' ' HD3' ' A' ' 27' ' ' PRO . 0.2 OUTLIER -91.46 110.44 21.75 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 108.107 -1.072 . . . . 15.0 108.107 175.957 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.19 164.81 12.53 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-N 116.446 -0.343 . . . . 15.0 110.499 -179.501 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_exo -60.3 -16.34 40.39 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.558 2.172 . . . . 15.0 113.145 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 26.4 p30 -80.27 -14.29 58.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.294 0.569 . . . . 15.0 109.834 175.782 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.91 37.89 5.92 Favored Glycine 0 N--CA 1.44 -1.063 0 CA-C-N 115.066 -0.97 . . . . 15.0 113.098 178.147 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 23.2 mmt180 -127.21 138.38 32.63 Favored Pre-proline 0 C--N 1.326 -0.419 0 O-C-N 122.815 -0.227 . . . . 15.0 110.574 177.535 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.632 ' HA ' ' O ' ' A' ' 20' ' ' ARG . 94.3 Cg_endo -88.18 113.41 0.78 Allowed 'Trans proline' 0 C--N 1.343 0.252 0 C-N-CA 122.26 1.973 . . . . 15.0 112.475 175.54 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.459 ' H ' ' HD1' ' A' ' 28' ' ' PHE . 0.3 OUTLIER -105.01 126.7 52.35 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 114.378 -1.283 . . . . 15.0 108.703 174.935 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.666 ' HA ' ' O ' ' A' ' 18' ' ' GLU . 6.9 m-85 -89.94 114.38 26.18 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.654 -0.703 . . . . 15.0 109.434 -174.05 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.841 HG21 ' HB3' ' B' ' 117' ' ' TYR . 21.2 mt -96.65 127.77 48.48 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.876 0 CA-C-N 115.279 -0.873 . . . . 15.0 110.763 -177.057 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.456 ' HB3' ' O ' ' A' ' 36' ' ' THR . 1.8 t70 -90.97 104.64 17.2 Favored 'General case' 0 C--N 1.302 -1.494 0 CA-C-N 114.928 -1.033 . . . . 15.0 108.639 172.054 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.475 ' CE1' ' HB2' ' B' ' 117' ' ' TYR . 11.4 m170 -84.64 0.61 49.61 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.271 -0.877 . . . . 15.0 110.545 -174.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 28.2 m-80 -87.21 -69.9 0.65 Allowed 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 121.079 0.466 . . . . 15.0 110.041 177.394 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -83.64 -3.75 57.99 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.899 -0.591 . . . . 15.0 110.085 -178.436 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.52 ' HD2' ' CE1' ' B' ' 117' ' ' TYR . 70.1 mmtt 70.84 29.83 3.02 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 115.267 -0.879 . . . . 15.0 110.555 175.626 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.456 ' O ' ' HB3' ' A' ' 31' ' ' ASP . 61.4 p -106.76 150.2 26.55 Favored 'General case' 0 C--O 1.219 -0.517 0 CA-C-N 115.867 -0.606 . . . . 15.0 110.694 -176.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.635 ' HB ' ' HB2' ' B' ' 114' ' ' PRO . 2.5 p -121.48 141.09 51.36 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 121.905 -0.497 . . . . 15.0 112.161 -177.414 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.486 ' OG1' ' HG3' ' A' ' 40' ' ' GLU . 12.7 t -150.09 150.35 31.57 Favored 'General case' 0 C--O 1.224 -0.252 0 CA-C-N 116.253 -0.43 . . . . 15.0 110.364 178.845 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 52.4 m95 -89.84 -7.88 53.3 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.963 0.411 . . . . 15.0 110.952 -178.533 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.486 ' HG3' ' OG1' ' A' ' 38' ' ' THR . 0.9 OUTLIER -94.26 162.42 13.86 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 116.098 -0.501 . . . . 15.0 110.804 -172.529 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.759 ' HB3' ' HG2' ' A' ' 43' ' ' ARG . 2.1 m-20 -93.62 118.04 67.41 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 115.806 -0.634 . . . . 15.0 111.741 -170.308 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.495 ' HG2' ' HB2' ' A' ' 13' ' ' LEU . 56.4 Cg_endo -69.19 -9.62 26.81 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.639 2.226 . . . . 15.0 111.668 175.156 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.759 ' HG2' ' HB3' ' A' ' 41' ' ' ASP . 8.0 ptp85 -71.53 -26.82 62.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.047 -0.524 . . . . 15.0 110.884 177.102 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 84.6 mt -80.36 -9.73 59.75 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-O 121.564 0.697 . . . . 15.0 111.128 179.085 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.455 ' HD3' ' OE1' ' A' ' 40' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.094 0 CA-C-N 114.986 -1.006 . . . . 15.0 110.724 -173.461 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 . . . . . 0 N--CA 1.479 0.985 0 CA-C-O 120.799 0.333 . . . . 15.0 110.319 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 113' ' ' ILE . . . . . 0.549 HD12 ' HD2' ' B' ' 114' ' ' PRO . 5.9 tp -151.47 113.77 3.03 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 116.231 -0.44 . . . . 15.0 110.535 -179.628 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 114' ' ' PRO . . . . . 0.635 ' HB2' ' HB ' ' A' ' 37' ' ' THR . 43.1 Cg_endo -84.35 120.14 2.47 Favored 'Trans proline' 0 N--CA 1.457 -0.661 0 C-N-CA 122.648 2.232 . . . . 15.0 112.71 178.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 115' ' ' PRO . . . . . 0.416 ' HA ' ' HD2' ' B' ' 116' ' ' PRO . 50.7 Cg_exo -58.22 130.95 40.35 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 123.13 2.553 . . . . 15.0 113.262 175.806 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 116' ' ' PRO . . . . . 0.416 ' HD2' ' HA ' ' B' ' 115' ' ' PRO . 7.1 Cg_endo -49.15 -179.4 0.01 OUTLIER 'Trans proline' 0 N--CA 1.414 -3.166 0 C-N-CA 124.968 3.779 . . . . 15.0 115.038 167.88 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 117' ' ' TYR . . . . . 0.841 ' HB3' HG21 ' A' ' 30' ' ' ILE . 23.3 p90 -76.92 141.38 40.53 Favored 'General case' 1 C--N 1.241 -4.142 1 CA-C-N 105.733 -5.212 . . . . 15.0 110.883 -179.34 . . . . . . . . 4 3 . 1 . 005 nuclear build core ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 11.2 p -100.53 -23.95 4.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 108.621 -0.881 . . . . 15.0 108.621 172.661 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 119' ' ' GLU . . . . . 0.439 ' O ' ' HD2' ' B' ' 117' ' ' TYR . 7.9 mm-40 . . . . . 0 C--N 1.325 -0.488 0 CA-C-N 114.574 -1.194 . . . . 15.0 109.133 177.16 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.0 pp . . . . . 0 C--O 1.233 0.235 0 N-CA-C 109.852 -0.425 . . . . 15.0 109.852 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.679 ' HB2' ' CD1' ' A' ' 17' ' ' TRP . 22.9 Cg_exo -49.63 151.0 8.06 Favored 'Trans proline' 0 CA--C 1.497 -1.331 0 C-N-CA 124.663 3.575 . . . . 15.0 116.935 -177.001 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 28.4 ttpp -73.78 131.12 41.23 Favored 'General case' 0 C--N 1.294 -1.82 0 CA-C-N 110.955 -2.838 . . . . 15.0 110.148 -175.35 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.59 24.31 56.48 Favored Glycine 0 N--CA 1.447 -0.57 0 N-CA-C 111.052 -0.819 . . . . 15.0 111.052 -174.425 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.679 ' CD1' ' HB2' ' A' ' 14' ' ' PRO . 24.0 m95 -115.46 121.15 41.87 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.759 -0.46 . . . . 15.0 109.759 174.67 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.59 ' HB2' ' CE1' ' A' ' 32' ' ' HIS . 1.5 tm-20 -120.41 133.78 55.37 Favored 'General case' 0 CA--C 1.503 -0.847 0 CA-C-O 121.862 0.839 . . . . 15.0 109.974 -173.667 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.463 HG22 ' CD2' ' A' ' 29' ' ' PHE . 10.7 t -108.23 89.98 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.294 -1.839 0 CA-C-N 113.677 -1.601 . . . . 15.0 110.267 -173.739 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.803 ' O ' ' HA ' ' A' ' 27' ' ' PRO . 5.8 tpp180 -98.21 150.11 21.85 Favored 'General case' 0 C--O 1.213 -0.84 0 CA-C-N 115.909 -0.587 . . . . 15.0 109.805 -177.836 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.507 ' CE1' ' HD3' ' A' ' 27' ' ' PRO . 1.0 OUTLIER -114.54 110.92 20.56 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 108.777 -0.823 . . . . 15.0 108.777 -177.049 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.57 ' HB1' ' HD2' ' A' ' 23' ' ' PRO . . . -60.06 163.75 7.42 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 115.936 -0.575 . . . . 15.0 110.616 -178.283 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.57 ' HD2' ' HB1' ' A' ' 22' ' ' ALA . 22.4 Cg_endo -61.52 -18.95 62.63 Favored 'Trans proline' 0 C--N 1.35 0.615 0 C-N-CA 122.503 2.135 . . . . 15.0 113.203 -178.26 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 23.4 p30 -80.33 -10.05 59.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.545 0.688 . . . . 15.0 109.418 175.263 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 83.79 44.2 6.9 Favored Glycine 0 N--CA 1.435 -1.385 0 CA-C-N 114.712 -1.131 . . . . 15.0 112.39 -178.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 24.1 mmm180 -120.64 131.0 24.59 Favored Pre-proline 0 C--N 1.324 -0.517 0 N-CA-C 110.148 -0.316 . . . . 15.0 110.148 172.863 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.803 ' HA ' ' O ' ' A' ' 20' ' ' ARG . 97.3 Cg_endo -88.3 116.6 0.95 Allowed 'Trans proline' 0 N--CA 1.455 -0.769 0 C-N-CA 121.965 1.777 . . . . 15.0 112.293 176.107 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -103.62 119.62 39.27 Favored 'General case' 0 N--CA 1.437 -1.098 0 CA-C-N 113.478 -1.692 . . . . 15.0 108.936 177.178 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.463 ' CD2' HG22 ' A' ' 19' ' ' VAL . 5.5 m-85 -89.76 121.65 32.11 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.815 -0.63 . . . . 15.0 109.461 -174.379 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.892 ' HB ' ' CE1' ' A' ' 32' ' ' HIS . 16.4 mt -100.61 134.54 40.13 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.054 0 CA-C-N 115.239 -0.891 . . . . 15.0 111.124 -175.235 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.423 ' O ' ' HA ' ' A' ' 35' ' ' LYS . 8.6 t70 -93.61 118.76 31.78 Favored 'General case' 0 C--N 1.312 -1.05 0 N-CA-C 108.078 -1.082 . . . . 15.0 108.078 169.541 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.892 ' CE1' ' HB ' ' A' ' 30' ' ' ILE . 5.4 m80 -97.74 4.05 49.99 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.177 0.513 . . . . 15.0 110.106 -171.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 31.3 m-80 -89.83 -55.06 3.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.432 -0.804 . . . . 15.0 109.919 178.562 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.0 t -108.92 1.71 20.93 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.732 -0.667 . . . . 15.0 110.407 -179.315 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.946 ' HG3' ' HE1' ' B' ' 117' ' ' TYR . 3.6 mppt? 62.56 50.31 3.62 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 115.57 -0.741 . . . . 15.0 111.49 175.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 35.2 p -118.23 129.84 55.72 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.138 -0.483 . . . . 15.0 110.41 177.196 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.921 ' HB ' ' HG2' ' B' ' 114' ' ' PRO . 1.9 p -105.55 140.52 38.51 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.317 -0.401 . . . . 15.0 111.764 -176.437 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 4.4 t -150.01 142.89 24.79 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 109.262 -0.644 . . . . 15.0 109.262 178.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 24.6 m95 -83.15 -30.05 28.15 Favored 'General case' 0 CA--C 1.507 -0.675 0 CA-C-O 121.945 0.878 . . . . 15.0 110.097 -177.333 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.484 ' CD ' ' H ' ' A' ' 40' ' ' GLU . 2.3 pm0 -80.77 124.07 28.75 Favored 'General case' 0 C--N 1.308 -1.23 0 CA-C-N 114.06 -1.427 . . . . 15.0 110.33 -175.163 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -50.6 134.83 26.19 Favored Pre-proline 0 C--N 1.319 -0.72 0 CA-C-N 114.066 -1.424 . . . . 15.0 112.285 -173.776 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -65.04 -9.92 23.53 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.835 2.356 . . . . 15.0 111.193 172.776 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 17.9 mtm180 -77.53 -12.76 60.0 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 114.979 -1.01 . . . . 15.0 110.529 179.223 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 85.7 mt -79.82 -9.93 59.72 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 114.861 -1.063 . . . . 15.0 110.677 177.105 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.7 mmmp? . . . . . 0 C--N 1.313 -1.005 0 CA-C-N 114.811 -1.086 . . . . 15.0 111.027 -176.858 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 . . . . . 0 N--CA 1.475 0.778 0 CA-C-O 120.611 0.243 . . . . 15.0 110.5 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 113' ' ' ILE . . . . . 0.432 ' N ' HD13 ' B' ' 113' ' ' ILE . 0.2 OUTLIER -138.32 119.03 10.11 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.375 -0.375 . . . . 15.0 110.775 178.304 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 114' ' ' PRO . . . . . 0.921 ' HG2' ' HB ' ' A' ' 37' ' ' THR . 27.3 Cg_endo -80.7 138.8 12.11 Favored 'Trans proline' 0 N--CA 1.458 -0.617 0 C-N-CA 122.384 2.056 . . . . 15.0 112.516 178.23 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 115' ' ' PRO . . . . . 0.477 ' HA ' ' HD2' ' B' ' 116' ' ' PRO . 73.1 Cg_exo -49.3 127.62 18.25 Favored 'Trans proline' 0 N--CA 1.475 0.414 0 C-N-CA 123.794 2.996 . . . . 15.0 114.539 175.043 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 116' ' ' PRO . . . . . 0.477 ' HD2' ' HA ' ' B' ' 115' ' ' PRO . 4.7 Cg_endo -49.21 -179.61 0.01 OUTLIER 'Trans proline' 0 N--CA 1.414 -3.194 0 C-N-CA 124.919 3.746 . . . . 15.0 114.401 163.639 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 117' ' ' TYR . . . . . 0.946 ' HE1' ' HG3' ' A' ' 35' ' ' LYS . 41.9 p90 -78.34 132.36 37.39 Favored 'General case' 1 C--N 1.243 -4.055 1 CA-C-N 106.197 -5.001 . . . . 15.0 111.071 -175.801 . . . . . . . . 4 3 . 1 . 006 nuclear build core ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 25.9 t -89.55 -15.78 8.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.566 0.698 . . . . 15.0 109.576 175.229 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 . . . . . 0 C--N 1.325 -0.46 0 CA-C-N 115.335 -0.848 . . . . 15.0 110.858 -179.366 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.3 pp . . . . . 0 C--O 1.234 0.273 0 N-CA-C 109.393 -0.595 . . . . 15.0 109.393 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.625 ' HB2' ' CD1' ' A' ' 17' ' ' TRP . 39.5 Cg_exo -49.71 150.94 8.39 Favored 'Trans proline' 0 CA--C 1.495 -1.47 0 C-N-CA 124.081 3.187 . . . . 15.0 116.142 -176.565 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -72.77 140.37 47.69 Favored 'General case' 0 C--N 1.288 -2.068 0 CA-C-N 111.142 -2.753 . . . . 15.0 109.706 -174.396 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.25 -5.4 67.51 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 121.055 -0.593 . . . . 15.0 111.81 -177.007 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.625 ' CD1' ' HB2' ' A' ' 14' ' ' PRO . 35.9 m95 -90.03 110.24 21.23 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.229 -0.656 . . . . 15.0 109.229 175.559 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.631 ' O ' ' HA ' ' A' ' 29' ' ' PHE . 18.5 mm-40 -108.19 145.01 34.83 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-O 122.009 0.909 . . . . 15.0 112.545 -172.507 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.509 HG22 ' CD2' ' A' ' 29' ' ' PHE . 11.5 t -115.33 105.3 18.29 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.18 0 CA-C-N 113.568 -1.651 . . . . 15.0 109.585 179.609 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.746 ' O ' ' HA ' ' A' ' 27' ' ' PRO . 15.6 ttm180 -127.69 150.06 49.94 Favored 'General case' 0 C--N 1.319 -0.747 0 C-N-CA 120.698 -0.401 . . . . 15.0 110.093 179.048 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.59 ' CE1' ' HD3' ' A' ' 27' ' ' PRO . 0.2 OUTLIER -95.38 118.17 31.64 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 109.738 -0.467 . . . . 15.0 109.738 -179.806 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.39 161.9 65.86 Favored Pre-proline 0 C--N 1.32 -0.713 0 N-CA-C 109.304 -0.628 . . . . 15.0 109.304 172.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_exo -58.14 -14.91 20.98 Favored 'Trans proline' 0 C--N 1.348 0.538 0 C-N-CA 122.876 2.384 . . . . 15.0 113.914 -175.298 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 30.7 p-10 -80.42 -13.23 59.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.284 0.564 . . . . 15.0 109.71 178.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 96.8 28.52 8.76 Favored Glycine 0 N--CA 1.439 -1.104 0 CA-C-N 115.471 -0.786 . . . . 15.0 112.885 179.208 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.424 ' O ' ' HA ' ' A' ' 21' ' ' HIS . 6.0 mmp_? -123.38 141.32 35.88 Favored Pre-proline 0 C--O 1.221 -0.44 0 CA-C-O 120.735 0.302 . . . . 15.0 111.253 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.746 ' HA ' ' O ' ' A' ' 20' ' ' ARG . 85.9 Cg_endo -88.06 113.78 0.83 Allowed 'Trans proline' 0 N--CA 1.459 -0.521 0 C-N-CA 122.506 2.137 . . . . 15.0 112.204 174.535 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.564 ' H ' ' HD1' ' A' ' 28' ' ' PHE . 0.3 OUTLIER -99.78 124.95 45.58 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-N 113.772 -1.558 . . . . 15.0 108.38 175.181 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.631 ' HA ' ' O ' ' A' ' 18' ' ' GLU . 12.1 m-85 -89.72 113.0 24.44 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-O 121.46 0.647 . . . . 15.0 109.4 -175.136 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.778 HG21 ' HB3' ' B' ' 117' ' ' TYR . 21.4 mt -96.26 131.59 42.66 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.973 0 CA-C-N 115.024 -0.989 . . . . 15.0 110.556 -177.83 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -90.41 105.56 17.9 Favored 'General case' 0 C--N 1.302 -1.48 0 CA-C-N 115.134 -0.939 . . . . 15.0 108.769 172.366 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.481 ' NE2' ' HB ' ' A' ' 30' ' ' ILE . 11.0 m170 -87.77 2.12 52.09 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.403 -0.817 . . . . 15.0 110.094 -176.45 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 25.4 m-80 -89.27 -66.17 0.95 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.653 -0.703 . . . . 15.0 110.316 179.014 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.98 -1.81 31.05 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.716 -0.675 . . . . 15.0 111.002 -174.01 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.703 ' HG3' ' HE1' ' B' ' 117' ' ' TYR . 0.0 OUTLIER 66.5 85.61 0.14 Allowed 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.521 -0.763 . . . . 15.0 110.573 -177.242 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -146.13 150.32 35.68 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 114.873 -1.058 . . . . 15.0 108.688 -178.398 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' THR . . . . . 1.008 ' HB ' ' HB2' ' B' ' 114' ' ' PRO . 20.1 p -132.38 131.49 41.9 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-O 121.111 0.482 . . . . 15.0 112.045 -178.534 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.414 ' OG1' ' HG3' ' A' ' 40' ' ' GLU . 11.3 t -150.17 150.29 31.42 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.79 -0.641 . . . . 15.0 109.926 -179.081 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 70.4 m95 -89.04 -11.37 44.33 Favored 'General case' 0 CA--C 1.512 -0.482 0 C-N-CA 120.912 -0.315 . . . . 15.0 110.617 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.414 ' HG3' ' OG1' ' A' ' 38' ' ' THR . 0.9 OUTLIER -101.84 158.12 16.35 Favored 'General case' 0 N--CA 1.442 -0.871 0 CA-C-O 121.393 0.616 . . . . 15.0 111.812 -170.513 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.752 ' HB3' ' HG2' ' A' ' 43' ' ' ARG . 2.3 m-20 -84.74 127.58 64.57 Favored Pre-proline 0 C--N 1.322 -0.621 0 CA-C-N 115.051 -0.977 . . . . 15.0 111.256 -171.261 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.741 ' HA ' ' HE2' ' A' ' 45' ' ' LYS . 23.4 Cg_endo -62.25 -9.75 16.14 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.872 2.381 . . . . 15.0 112.695 176.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.752 ' HG2' ' HB3' ' A' ' 41' ' ' ASP . 19.8 ptt180 -78.24 -19.4 53.83 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.842 0.353 . . . . 15.0 110.48 176.474 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 83.0 mt -80.47 -9.54 59.76 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-O 121.575 0.702 . . . . 15.0 111.044 178.592 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.741 ' HE2' ' HA ' ' A' ' 42' ' ' PRO . 41.4 pttt . . . . . 0 C--N 1.31 -1.134 0 CA-C-N 114.886 -1.052 . . . . 15.0 110.781 -176.377 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 . . . . . 0 N--CA 1.477 0.921 0 CA-C-O 121.138 0.494 . . . . 15.0 110.291 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 77.3 mt -133.31 114.78 13.67 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-N 115.77 -0.65 . . . . 15.0 109.945 -178.733 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 114' ' ' PRO . . . . . 1.008 ' HB2' ' HB ' ' A' ' 37' ' ' THR . 23.7 Cg_exo -63.32 127.28 19.64 Favored 'Trans proline' 0 CA--C 1.531 0.362 0 C-N-CA 122.51 2.14 . . . . 15.0 112.205 177.337 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 115' ' ' PRO . . . . . 0.427 ' HA ' ' HD2' ' B' ' 116' ' ' PRO . 38.9 Cg_exo -60.57 130.81 35.03 Favored 'Trans proline' 0 CA--C 1.531 0.353 0 C-N-CA 122.975 2.45 . . . . 15.0 112.986 172.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 116' ' ' PRO . . . . . 0.427 ' HD2' ' HA ' ' B' ' 115' ' ' PRO . 7.3 Cg_endo -49.38 -179.26 0.01 OUTLIER 'Trans proline' 0 N--CA 1.416 -3.078 0 C-N-CA 124.963 3.775 . . . . 15.0 115.384 167.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 117' ' ' TYR . . . . . 0.778 ' HB3' HG21 ' A' ' 30' ' ' ILE . 41.1 p90 -74.5 127.41 32.99 Favored 'General case' 1 C--N 1.244 -4.006 1 CA-C-N 105.856 -5.156 . . . . 15.0 110.067 -179.453 . . . . . . . . 4 3 . 1 . 007 nuclear build core ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 28.6 m -89.47 -0.49 8.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.223 0.535 . . . . 15.0 109.776 173.684 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 119' ' ' GLU . . . . . 0.441 ' CD ' HH22 ' A' ' 20' ' ' ARG . 11.8 pt-20 . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 115.151 -0.931 . . . . 15.0 109.717 -179.236 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.1 mp . . . . . 0 C--O 1.233 0.235 0 N-CA-C 110.318 -0.253 . . . . 15.0 110.318 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.735 ' HB2' ' CD1' ' A' ' 17' ' ' TRP . 8.8 Cg_exo -49.93 151.11 8.86 Favored 'Trans proline' 0 CA--C 1.495 -1.473 0 C-N-CA 123.608 2.872 . . . . 15.0 114.638 168.354 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.479 ' HD3' ' H ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -60.73 119.8 8.85 Favored 'General case' 0 C--N 1.287 -2.126 0 CA-C-N 111.522 -2.581 . . . . 15.0 110.793 -172.507 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 86.45 5.26 82.45 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 121.155 -0.545 . . . . 15.0 112.746 178.747 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.735 ' CD1' ' HB2' ' A' ' 14' ' ' PRO . 31.9 m95 -92.33 124.37 36.34 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.091 0.472 . . . . 15.0 110.365 176.209 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.55 ' O ' ' HA ' ' A' ' 29' ' ' PHE . 36.7 mm-40 -124.92 149.96 47.06 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.642 -0.708 . . . . 15.0 112.169 -174.147 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.576 HG22 ' CD2' ' A' ' 29' ' ' PHE . 11.7 t -118.31 107.39 21.72 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.866 0 CA-C-N 115.329 -0.851 . . . . 15.0 110.234 178.438 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.654 ' O ' ' HA ' ' A' ' 27' ' ' PRO . 24.2 ttm180 -117.89 140.44 49.7 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.605 -0.517 . . . . 15.0 109.605 177.517 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.589 ' CE1' ' HD3' ' A' ' 27' ' ' PRO . 0.1 OUTLIER -93.07 112.02 23.84 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.434 -0.951 . . . . 15.0 108.434 176.77 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.546 ' HB1' ' HD2' ' A' ' 23' ' ' PRO . . . -65.22 161.8 45.98 Favored Pre-proline 0 C--N 1.322 -0.591 0 N-CA-C 109.989 -0.375 . . . . 15.0 109.989 178.33 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.546 ' HD2' ' HB1' ' A' ' 22' ' ' ALA . 11.7 Cg_endo -56.63 -18.97 28.18 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.744 2.296 . . . . 15.0 113.465 -177.432 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 30.4 p-10 -80.33 -11.36 59.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.329 0.585 . . . . 15.0 109.598 179.555 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 94.22 27.33 12.25 Favored Glycine 0 N--CA 1.438 -1.168 0 CA-C-N 115.084 -0.962 . . . . 15.0 112.9 177.708 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 24.2 mmm180 -117.77 136.19 23.6 Favored Pre-proline 0 C--N 1.326 -0.456 0 CA-C-O 120.609 0.242 . . . . 15.0 110.832 177.655 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.654 ' HA ' ' O ' ' A' ' 20' ' ' ARG . 95.0 Cg_endo -88.39 114.63 0.81 Allowed 'Trans proline' 0 N--CA 1.457 -0.646 0 C-N-CA 122.346 2.031 . . . . 15.0 111.845 174.74 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.616 ' HB2' ' HB3' ' B' ' 114' ' ' PRO . 0.4 OUTLIER -104.03 124.26 48.7 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 113.931 -1.486 . . . . 15.0 108.904 177.859 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.576 ' CD2' HG22 ' A' ' 19' ' ' VAL . 5.8 m-85 -89.78 113.84 25.45 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.644 -0.707 . . . . 15.0 109.298 -174.447 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.638 HG21 ' HB3' ' B' ' 117' ' ' TYR . 26.1 mt -95.02 131.15 42.62 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.911 0 CA-C-N 115.163 -0.926 . . . . 15.0 110.801 -176.289 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -92.67 105.74 17.84 Favored 'General case' 0 C--N 1.307 -1.243 0 CA-C-N 114.903 -1.044 . . . . 15.0 108.379 168.61 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.534 ' CE1' ' HB2' ' B' ' 117' ' ' TYR . 11.6 m170 -82.92 -0.92 50.72 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 114.921 -1.036 . . . . 15.0 110.85 -172.867 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 13.6 m-80 -90.2 -49.94 6.27 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.949 0.404 . . . . 15.0 110.944 -179.709 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -106.24 4.82 29.25 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.336 -0.393 . . . . 15.0 110.848 -175.594 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.788 ' HG3' ' HE1' ' B' ' 117' ' ' TYR . 0.0 OUTLIER 66.35 24.62 10.52 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 115.798 -0.637 . . . . 15.0 111.214 178.808 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 71.0 p -99.3 150.06 22.5 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.472 -0.331 . . . . 15.0 110.144 -175.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' THR . . . . . 1.042 ' HB ' ' HB2' ' B' ' 114' ' ' PRO . 1.8 p -132.48 143.72 49.96 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.956 0.407 . . . . 15.0 111.869 -176.011 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -150.15 150.33 31.49 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 115.889 -0.596 . . . . 15.0 109.921 -176.851 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 97.2 m95 -88.93 -20.7 24.18 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-O 121.154 0.502 . . . . 15.0 111.947 -172.433 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.512 ' CD ' ' H ' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -117.41 132.77 56.51 Favored 'General case' 0 C--N 1.309 -1.19 0 CA-C-N 115.718 -0.674 . . . . 15.0 111.908 -165.612 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -39.13 135.4 1.06 Allowed Pre-proline 0 N--CA 1.467 0.416 0 CA-C-N 114.254 -1.339 . . . . 15.0 113.434 -170.822 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.608 ' HA ' ' HE2' ' A' ' 45' ' ' LYS . 35.0 Cg_endo -65.84 -9.87 24.64 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.725 2.283 . . . . 15.0 111.12 172.19 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 70.7 mtt85 -72.82 -17.18 61.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.438 -0.801 . . . . 15.0 109.99 177.435 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 92.1 mt -79.84 -9.92 59.72 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.372 -0.831 . . . . 15.0 110.669 178.588 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.608 ' HE2' ' HA ' ' A' ' 42' ' ' PRO . 3.6 mppt? . . . . . 0 C--N 1.309 -1.182 0 CA-C-N 114.765 -1.107 . . . . 15.0 109.778 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 . . . . . 0 N--CA 1.48 1.06 0 CA-C-O 121.244 0.545 . . . . 15.0 110.894 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 19.1 pt -134.21 113.3 12.34 Favored Pre-proline 0 C--N 1.322 -0.593 0 CA-C-N 115.822 -0.626 . . . . 15.0 110.519 179.349 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 114' ' ' PRO . . . . . 1.042 ' HB2' ' HB ' ' A' ' 37' ' ' THR . 22.8 Cg_exo -63.22 126.79 18.57 Favored 'Trans proline' 0 CA--C 1.529 0.272 0 C-N-CA 122.303 2.002 . . . . 15.0 111.772 177.04 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 115' ' ' PRO . . . . . 0.476 ' HA ' ' HD2' ' B' ' 116' ' ' PRO . 52.8 Cg_exo -56.39 128.65 30.97 Favored 'Trans proline' 0 N--CA 1.472 0.262 0 C-N-CA 122.779 2.319 . . . . 15.0 112.724 174.599 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 116' ' ' PRO . . . . . 0.476 ' HD2' ' HA ' ' B' ' 115' ' ' PRO . 7.0 Cg_endo -49.36 -179.47 0.01 OUTLIER 'Trans proline' 0 N--CA 1.413 -3.253 0 C-N-CA 124.533 3.489 . . . . 15.0 114.854 169.335 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 117' ' ' TYR . . . . . 0.788 ' HE1' ' HG3' ' A' ' 35' ' ' LYS . 12.9 p90 -76.06 143.01 41.61 Favored 'General case' 1 C--N 1.24 -4.156 1 CA-C-N 105.818 -5.173 . . . . 15.0 110.007 -179.089 . . . . . . . . 4 3 . 1 . 008 nuclear build core ' B' B ' 118' ' ' VAL . . . . . 0.516 HG23 HH22 ' A' ' 20' ' ' ARG . 21.2 t -112.5 -13.02 11.52 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.813 0 N-CA-C 108.02 -1.104 . . . . 15.0 108.02 174.386 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.442 -0.868 0 CA-C-N 114.019 -1.446 . . . . 15.0 109.888 -177.507 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.3 mp . . . . . 0 C--O 1.234 0.273 0 CA-C-O 120.862 0.363 . . . . 15.0 111.052 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.738 ' HB2' ' CD1' ' A' ' 17' ' ' TRP . 8.3 Cg_exo -49.11 150.88 6.62 Favored 'Trans proline' 0 CA--C 1.494 -1.482 0 C-N-CA 124.866 3.711 . . . . 15.0 116.169 174.47 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -68.06 126.84 30.78 Favored 'General case' 0 C--N 1.291 -1.951 0 CA-C-N 111.327 -2.669 . . . . 15.0 110.543 -175.102 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.93 19.79 56.99 Favored Glycine 0 N--CA 1.447 -0.63 0 N-CA-C 111.587 -0.605 . . . . 15.0 111.587 -178.076 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.738 ' CD1' ' HB2' ' A' ' 14' ' ' PRO . 54.1 m95 -112.54 116.72 30.68 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.691 -0.485 . . . . 15.0 109.691 175.021 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.607 ' HB2' ' CE1' ' A' ' 32' ' ' HIS . 1.3 tm-20 -120.2 130.5 54.58 Favored 'General case' 0 CA--C 1.497 -1.085 0 CA-C-O 122.1 0.952 . . . . 15.0 109.53 -174.33 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.549 HG22 ' CD2' ' A' ' 29' ' ' PHE . 16.6 t -105.88 110.37 31.06 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.927 0 CA-C-N 112.958 -1.928 . . . . 15.0 110.213 -175.53 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.783 ' O ' ' HA ' ' A' ' 27' ' ' PRO . 18.3 ttm180 -132.3 146.59 52.09 Favored 'General case' 0 C--N 1.313 -1.001 0 C-N-CA 120.577 -0.449 . . . . 15.0 110.456 -178.514 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.637 ' CE1' ' HD3' ' A' ' 27' ' ' PRO . 0.0 OUTLIER -94.68 114.43 26.36 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 108.536 -0.912 . . . . 15.0 108.536 178.621 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.572 ' HB1' ' HD2' ' A' ' 23' ' ' PRO . . . -74.56 166.87 41.38 Favored Pre-proline 0 C--N 1.317 -0.815 0 CA-C-N 116.176 -0.465 . . . . 15.0 110.003 178.663 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.572 ' HD2' ' HB1' ' A' ' 22' ' ' ALA . 12.8 Cg_endo -57.69 -9.9 6.32 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 123.054 2.503 . . . . 15.0 112.817 176.14 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 47.5 t30 -80.0 -12.13 59.73 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 108.907 -0.775 . . . . 15.0 108.907 177.314 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 89.64 8.43 67.74 Favored Glycine 0 N--CA 1.443 -0.871 0 CA-C-N 115.364 -0.835 . . . . 15.0 112.155 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 9.3 mmm180 -110.74 144.0 29.37 Favored Pre-proline 0 C--N 1.32 -0.68 0 CA-C-N 115.435 -0.382 . . . . 15.0 111.114 -177.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.783 ' HA ' ' O ' ' A' ' 20' ' ' ARG . 93.7 Cg_endo -88.5 116.51 0.9 Allowed 'Trans proline' 0 N--CA 1.454 -0.832 0 C-N-CA 122.52 2.147 . . . . 15.0 111.298 171.361 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.566 ' H ' ' HD1' ' A' ' 28' ' ' PHE . 0.2 OUTLIER -100.32 121.96 42.33 Favored 'General case' 0 C--N 1.311 -1.093 0 CA-C-N 114.133 -1.394 . . . . 15.0 108.496 176.622 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.549 ' CD2' HG22 ' A' ' 19' ' ' VAL . 6.2 m-85 -89.87 113.19 24.75 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 108.614 -0.884 . . . . 15.0 108.614 -176.554 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.987 ' HB ' ' CE1' ' A' ' 32' ' ' HIS . 8.6 mt -94.88 136.89 24.67 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.126 0 CA-C-N 115.136 -0.938 . . . . 15.0 111.472 -172.5 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.467 ' HB3' ' HB ' ' A' ' 36' ' ' THR . 0.9 OUTLIER -93.99 113.33 25.3 Favored 'General case' 0 C--N 1.312 -1.042 0 CA-C-N 114.875 -1.057 . . . . 15.0 109.216 170.691 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.987 ' CE1' ' HB ' ' A' ' 30' ' ' ILE . 13.6 m80 -99.68 0.54 42.11 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.992 -1.004 . . . . 15.0 110.129 -172.203 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 19.1 m-80 -78.04 -35.45 49.71 Favored 'General case' 0 CA--C 1.516 -0.356 0 N-CA-C 109.089 -0.708 . . . . 15.0 109.089 177.843 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.773 HG22 ' HG3' ' A' ' 35' ' ' LYS . 56.3 m -125.04 -78.13 0.6 Allowed 'General case' 0 N--CA 1.444 -0.762 0 CA-C-N 115.03 -0.986 . . . . 15.0 110.425 177.881 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.773 ' HG3' HG22 ' A' ' 34' ' ' THR . 0.1 OUTLIER 171.31 29.84 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.451 0.7 . . . . 15.0 110.456 -179.349 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.467 ' HB ' ' HB3' ' A' ' 31' ' ' ASP . 0.9 OUTLIER -90.87 150.63 21.46 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.193 -0.458 . . . . 15.0 109.884 -170.377 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.947 ' HB ' ' HB2' ' B' ' 114' ' ' PRO . 4.3 p -139.37 139.27 37.15 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-O 121.234 0.54 . . . . 15.0 111.991 -177.862 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.453 ' OG1' ' HG3' ' A' ' 40' ' ' GLU . 9.7 t -150.22 150.23 31.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.485 -0.78 . . . . 15.0 109.998 -179.266 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 65.4 m95 -91.44 -10.15 42.01 Favored 'General case' 0 CA--C 1.516 -0.363 0 C-N-CA 120.746 -0.382 . . . . 15.0 111.104 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.453 ' HG3' ' OG1' ' A' ' 38' ' ' THR . 0.2 OUTLIER -101.99 160.44 14.49 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-O 121.383 0.611 . . . . 15.0 111.869 -170.5 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.858 ' HB3' ' HG2' ' A' ' 43' ' ' ARG . 2.1 m-20 -86.5 127.75 59.59 Favored Pre-proline 0 C--N 1.324 -0.512 0 CA-C-N 115.185 -0.916 . . . . 15.0 111.801 -170.334 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_endo -66.42 -9.98 25.99 Favored 'Trans proline' 0 CA--C 1.53 0.299 0 C-N-CA 122.954 2.436 . . . . 15.0 112.219 176.385 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.858 ' HG2' ' HB3' ' A' ' 41' ' ' ASP . 28.3 ptt85 -78.9 -16.25 57.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.064 -0.516 . . . . 15.0 110.709 177.458 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 85.5 mt -80.23 -9.58 59.73 Favored 'General case' 0 CA--C 1.518 -0.254 0 CA-C-O 121.785 0.802 . . . . 15.0 110.662 178.664 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.541 ' HB3' ' NZ ' ' A' ' 45' ' ' LYS . 0.6 OUTLIER . . . . . 0 C--O 1.251 1.132 0 CA-C-N 114.005 -1.452 . . . . 15.0 109.995 179.145 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 22.8 mp0 . . . . . 0 N--CA 1.482 1.171 0 N-CA-C 109.986 -0.376 . . . . 15.0 109.986 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 113' ' ' ILE . . . . . 0.411 ' N ' HD12 ' B' ' 113' ' ' ILE . 3.3 mp -98.14 114.38 65.08 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.703 -0.226 . . . . 15.0 110.691 -178.549 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 114' ' ' PRO . . . . . 0.947 ' HB2' ' HB ' ' A' ' 37' ' ' THR . 13.9 Cg_exo -68.0 130.1 20.92 Favored 'Trans proline' 0 CA--C 1.534 0.519 0 C-N-CA 122.568 2.179 . . . . 15.0 112.43 176.224 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 115' ' ' PRO . . . . . 0.467 ' HA ' ' HD2' ' B' ' 116' ' ' PRO . 49.4 Cg_exo -60.58 132.77 44.86 Favored 'Trans proline' 0 N--CA 1.476 0.486 0 C-N-CA 123.079 2.519 . . . . 15.0 113.393 172.283 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 116' ' ' PRO . . . . . 0.467 ' HD2' ' HA ' ' B' ' 115' ' ' PRO . 6.4 Cg_endo -49.19 -179.3 0.01 OUTLIER 'Trans proline' 0 N--CA 1.416 -3.061 0 C-N-CA 124.938 3.758 . . . . 15.0 114.681 165.201 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 117' ' ' TYR . . . . . 0.571 ' HB3' HG21 ' A' ' 30' ' ' ILE . 51.6 p90 -82.68 157.72 23.23 Favored 'General case' 1 C--N 1.242 -4.105 1 CA-C-N 106.195 -5.002 . . . . 15.0 110.657 -177.651 . . . . . . . . 4 3 . 1 . 009 nuclear build core ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 8.7 p -129.67 -1.96 2.8 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-N 115.805 -0.634 . . . . 15.0 109.725 -177.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 . . . . . 0 C--N 1.327 -0.378 0 CA-C-N 115.608 -0.723 . . . . 15.0 110.343 -178.968 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.3 mp . . . . . 0 C--O 1.233 0.202 0 CA-C-O 120.792 0.329 . . . . 15.0 111.541 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.684 ' HB2' ' CD1' ' A' ' 17' ' ' TRP . 6.5 Cg_exo -49.49 151.15 7.48 Favored 'Trans proline' 0 CA--C 1.502 -1.115 0 C-N-CA 124.925 3.75 . . . . 15.0 115.988 170.315 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.6 tppp? -60.94 122.22 14.36 Favored 'General case' 0 C--N 1.294 -1.809 0 CA-C-N 111.41 -2.632 . . . . 15.0 110.964 -172.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 88.35 -1.55 84.38 Favored Glycine 0 N--CA 1.451 -0.338 0 CA-C-N 116.035 -0.53 . . . . 15.0 112.334 179.159 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.684 ' CD1' ' HB2' ' A' ' 14' ' ' PRO . 46.5 m95 -89.97 115.79 27.53 Favored 'General case' 0 CA--C 1.511 -0.535 0 CA-C-O 121.36 0.6 . . . . 15.0 110.015 175.681 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.652 ' O ' ' HA ' ' A' ' 29' ' ' PHE . 1.2 mm-40 -108.06 148.33 29.94 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-N 115.421 -0.808 . . . . 15.0 111.531 -177.821 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.492 HG22 ' CD2' ' A' ' 29' ' ' PHE . 5.2 t -122.52 91.88 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.304 0 CA-C-N 114.313 -1.312 . . . . 15.0 108.756 178.545 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.757 ' O ' ' HA ' ' A' ' 27' ' ' PRO . 33.3 ttm-85 -107.28 149.16 28.09 Favored 'General case' 0 C--N 1.314 -0.936 0 C-N-CA 119.981 -0.688 . . . . 15.0 110.059 -178.392 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.498 ' CE1' ' HD3' ' A' ' 27' ' ' PRO . 0.3 OUTLIER -105.27 109.83 21.96 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 108.4 -0.963 . . . . 15.0 108.4 -174.813 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.604 ' HB1' ' HD2' ' A' ' 23' ' ' PRO . . . -61.76 163.74 11.75 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 116.194 -0.457 . . . . 15.0 110.465 -179.804 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.604 ' HD2' ' HB1' ' A' ' 22' ' ' ALA . 18.7 Cg_endo -59.17 -18.79 46.13 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 122.595 2.196 . . . . 15.0 113.37 -178.021 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 15.4 p30 -80.44 -10.0 59.75 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.556 0.694 . . . . 15.0 109.755 176.61 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 88.13 42.03 6.06 Favored Glycine 0 N--CA 1.438 -1.209 0 CA-C-N 115.077 -0.965 . . . . 15.0 112.466 178.844 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.445 ' HD3' ' HA ' ' A' ' 26' ' ' ARG . 16.8 mmt180 -128.54 136.33 28.94 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 120.611 0.243 . . . . 15.0 110.929 177.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.757 ' HA ' ' O ' ' A' ' 20' ' ' ARG . 83.5 Cg_endo -88.15 115.24 0.9 Allowed 'Trans proline' 0 N--CA 1.462 -0.329 0 C-N-CA 122.398 2.065 . . . . 15.0 112.567 176.258 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.514 ' HB3' ' CZ3' ' A' ' 39' ' ' TRP . 0.9 OUTLIER -104.88 123.23 47.36 Favored 'General case' 0 N--CA 1.44 -0.944 0 CA-C-N 113.804 -1.543 . . . . 15.0 108.632 175.773 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.652 ' HA ' ' O ' ' A' ' 18' ' ' GLU . 12.1 m-85 -89.85 118.98 29.84 Favored 'General case' 0 N--CA 1.442 -0.857 0 CA-C-N 115.743 -0.662 . . . . 15.0 109.621 -174.02 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.76 HG21 ' HB3' ' B' ' 117' ' ' TYR . 29.9 mt -101.78 128.95 53.76 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.08 0 CA-C-N 115.347 -0.842 . . . . 15.0 110.346 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 62.6 t0 -90.86 104.25 16.86 Favored 'General case' 0 C--N 1.308 -1.229 0 N-CA-C 107.636 -1.246 . . . . 15.0 107.636 169.705 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.655 ' CE1' ' HB ' ' A' ' 30' ' ' ILE . 1.9 m80 -79.47 -3.09 45.01 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 114.809 -1.087 . . . . 15.0 110.69 -172.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 21.0 m-80 -89.92 -52.75 4.82 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.238 0.542 . . . . 15.0 110.394 175.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.4 m -96.65 -1.62 46.34 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 115.565 -0.743 . . . . 15.0 111.786 -173.647 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.743 ' HG3' ' HE1' ' B' ' 117' ' ' TYR . 12.9 mptt 65.95 23.43 11.23 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-O 120.922 0.391 . . . . 15.0 110.745 -179.495 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 23.2 p -102.97 128.0 49.97 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.297 -0.411 . . . . 15.0 111.029 -174.543 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.663 ' HB ' ' HB2' ' B' ' 114' ' ' PRO . 6.8 p -108.83 136.55 48.2 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.163 0.506 . . . . 15.0 111.49 -178.364 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.678 ' OG1' ' HG3' ' A' ' 40' ' ' GLU . 5.7 t -149.16 150.05 32.02 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.915 -0.584 . . . . 15.0 110.352 -176.451 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.514 ' CZ3' ' HB3' ' A' ' 28' ' ' PHE . 45.3 m95 -93.82 -7.93 41.93 Favored 'General case' 0 CA--C 1.508 -0.665 0 CA-C-O 121.017 0.436 . . . . 15.0 110.197 179.229 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.678 ' HG3' ' OG1' ' A' ' 38' ' ' THR . 1.2 pp20? -91.21 151.86 20.77 Favored 'General case' 0 N--CA 1.437 -1.109 0 C-N-CA 120.024 -0.671 . . . . 15.0 109.993 -175.87 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -101.72 129.14 27.26 Favored Pre-proline 0 C--N 1.314 -0.946 0 CA-C-N 115.19 -0.914 . . . . 15.0 111.01 -162.392 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_endo -65.38 -13.7 41.13 Favored 'Trans proline' 0 CA--C 1.531 0.351 0 C-N-CA 122.725 2.284 . . . . 15.0 113.293 -179.04 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 4.2 ptp180 -79.11 -17.19 55.54 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.631 0.729 . . . . 15.0 109.62 177.534 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 83.6 mt -74.81 -9.64 58.74 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 114.974 -1.012 . . . . 15.0 110.698 178.466 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.1 ttmp? . . . . . 0 C--N 1.312 -1.05 0 CA-C-N 114.591 -1.186 . . . . 15.0 109.463 177.971 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 8.0 tm0? . . . . . 0 N--CA 1.479 0.999 0 N-CA-C 109.289 -0.634 . . . . 15.0 109.289 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 13.4 tt -66.28 117.53 44.31 Favored Pre-proline 0 CA--C 1.539 0.53 0 CA-C-O 120.977 0.418 . . . . 15.0 112.096 -176.772 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 114' ' ' PRO . . . . . 0.663 ' HB2' ' HB ' ' A' ' 37' ' ' THR . 5.0 Cg_exo -73.99 138.87 26.34 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.433 2.089 . . . . 15.0 111.892 172.154 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 115' ' ' PRO . . . . . 0.424 ' HA ' ' HD2' ' B' ' 116' ' ' PRO . 74.9 Cg_exo -54.5 125.16 18.04 Favored 'Trans proline' 0 CA--C 1.53 0.325 0 C-N-CA 123.044 2.496 . . . . 15.0 113.243 173.272 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 116' ' ' PRO . . . . . 0.424 ' HD2' ' HA ' ' B' ' 115' ' ' PRO . 7.6 Cg_endo -49.02 -179.65 0.01 OUTLIER 'Trans proline' 0 N--CA 1.415 -3.11 0 C-N-CA 125.202 3.935 . . . . 15.0 115.233 167.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 117' ' ' TYR . . . . . 0.76 ' HB3' HG21 ' A' ' 30' ' ' ILE . 30.1 p90 -79.22 132.42 36.5 Favored 'General case' 1 C--N 1.244 -4.005 1 CA-C-N 105.77 -5.196 . . . . 15.0 110.14 179.804 . . . . . . . . 4 3 . 1 . 010 nuclear build core ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 28.2 m -110.3 -9.99 11.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-O 121.131 0.491 . . . . 15.0 110.216 178.883 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 . . . . . 0 C--N 1.326 -0.446 0 CA-C-N 115.469 -0.787 . . . . 15.0 110.652 179.444 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.645 HD11 HG23 ' A' ' 19' ' ' VAL . 47.3 mt . . . . . 0 CA--C 1.515 -0.402 0 CA-C-O 121.33 0.586 . . . . 15.0 111.976 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.73 ' HB2' ' CD1' ' A' ' 17' ' ' TRP . 0.8 OUTLIER -49.55 151.07 7.73 Favored 'Trans proline' 0 CA--C 1.494 -1.477 0 C-N-CA 123.676 2.917 . . . . 15.0 113.872 160.864 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 44.8 tptt -59.06 122.6 14.15 Favored 'General case' 0 C--N 1.283 -2.293 0 CA-C-N 111.48 -2.6 . . . . 15.0 110.702 -172.013 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 83.07 8.7 85.27 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 121.165 -0.54 . . . . 15.0 112.722 176.729 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.73 ' CD1' ' HB2' ' A' ' 14' ' ' PRO . 25.8 m95 -89.97 140.35 29.71 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.359 0.6 . . . . 15.0 110.784 176.577 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.739 ' O ' ' HA ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -129.52 150.09 51.01 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.074 -0.966 . . . . 15.0 110.446 -176.177 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.645 HG23 HD11 ' A' ' 13' ' ' LEU . 19.4 t -130.87 90.47 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.296 -1.747 0 CA-C-N 114.401 -1.272 . . . . 15.0 108.656 175.413 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.742 ' O ' ' HA ' ' A' ' 27' ' ' PRO . 26.2 ttm180 -117.09 147.02 42.76 Favored 'General case' 0 C--N 1.314 -0.944 0 C-N-CA 120.43 -0.508 . . . . 15.0 109.933 -178.089 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.608 ' CE1' ' HD3' ' A' ' 27' ' ' PRO . 1.6 m-70 -94.65 119.34 33.13 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 109.275 -0.639 . . . . 15.0 109.275 178.379 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.588 ' HB1' ' HD2' ' A' ' 23' ' ' PRO . . . -69.92 164.71 49.28 Favored Pre-proline 0 C--N 1.32 -0.676 0 N-CA-C 109.614 -0.513 . . . . 15.0 109.614 174.57 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.588 ' HD2' ' HB1' ' A' ' 22' ' ' ALA . 15.9 Cg_endo -58.09 -12.13 11.94 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 122.542 2.161 . . . . 15.0 113.347 -179.207 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 21.0 p30 -80.45 -15.52 56.58 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.305 0.574 . . . . 15.0 109.979 177.242 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 97.27 22.81 15.98 Favored Glycine 0 N--CA 1.439 -1.124 0 CA-C-N 115.629 -0.714 . . . . 15.0 112.922 177.571 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.446 ' O ' ' HA ' ' A' ' 21' ' ' HIS . 26.4 mmm180 -122.86 143.82 41.35 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 122.647 -0.325 . . . . 15.0 111.298 -178.411 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.742 ' HA ' ' O ' ' A' ' 20' ' ' ARG . 82.6 Cg_endo -88.5 120.33 1.21 Allowed 'Trans proline' 0 N--CA 1.459 -0.555 0 C-N-CA 122.892 2.395 . . . . 15.0 112.233 176.284 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.43 ' CE2' HD11 ' A' ' 30' ' ' ILE . 1.7 p90 -107.59 123.33 48.3 Favored 'General case' 0 N--CA 1.434 -1.228 0 CA-C-N 113.741 -1.572 . . . . 15.0 108.559 176.327 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.739 ' HA ' ' O ' ' A' ' 18' ' ' GLU . 4.8 m-85 -89.85 114.71 26.51 Favored 'General case' 0 N--CA 1.441 -0.892 0 N-CA-C 109.354 -0.61 . . . . 15.0 109.354 -175.106 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.645 HG21 ' HB3' ' B' ' 117' ' ' TYR . 15.9 mt -98.51 135.41 33.46 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.918 0 CA-C-N 115.501 -0.772 . . . . 15.0 110.931 -176.764 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -97.4 107.84 20.44 Favored 'General case' 0 C--N 1.309 -1.19 0 CA-C-N 114.975 -1.011 . . . . 15.0 108.697 170.455 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.546 ' NE2' ' HB ' ' A' ' 30' ' ' ILE . 10.7 m170 -87.15 0.75 54.81 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.059 -0.973 . . . . 15.0 110.583 -172.79 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 13.0 m-80 -90.21 -67.5 0.84 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 15.0 110.388 179.197 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 8.7 m -86.3 -4.95 59.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.405 0.621 . . . . 15.0 109.777 -179.229 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.533 ' HD2' ' CE1' ' B' ' 117' ' ' TYR . 29.5 mmtp 72.33 33.09 1.55 Allowed 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 114.731 -1.122 . . . . 15.0 110.75 173.926 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 48.0 p -102.72 150.25 23.65 Favored 'General case' 0 C--O 1.22 -0.459 0 CA-C-N 116.031 -0.531 . . . . 15.0 110.763 -177.574 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.982 ' HB ' ' HB2' ' B' ' 114' ' ' PRO . 20.6 p -121.91 142.89 49.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 121.931 -0.481 . . . . 15.0 111.982 -178.798 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.525 ' OG1' ' HG3' ' A' ' 40' ' ' GLU . 9.7 t -150.15 150.19 31.29 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 116.019 -0.537 . . . . 15.0 110.203 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 86.4 m95 -89.24 -15.63 33.15 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 120.998 0.428 . . . . 15.0 111.094 178.629 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.525 ' HG3' ' OG1' ' A' ' 38' ' ' THR . 0.6 OUTLIER -99.98 160.55 14.23 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-O 121.551 0.691 . . . . 15.0 112.146 -166.576 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -88.49 136.29 31.6 Favored Pre-proline 0 C--N 1.321 -0.661 0 CA-C-N 114.963 -1.017 . . . . 15.0 111.95 -165.754 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -66.73 -10.04 26.72 Favored 'Trans proline' 0 CA--C 1.53 0.308 0 C-N-CA 122.875 2.383 . . . . 15.0 112.472 176.248 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.448 ' HD3' ' HA ' ' A' ' 43' ' ' ARG . 19.1 mmt180 -75.27 -11.96 60.18 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.961 0.41 . . . . 15.0 111.037 176.769 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 92.8 mt -80.16 -9.72 59.73 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.695 0.759 . . . . 15.0 110.058 176.312 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 76.9 mttt . . . . . 0 C--N 1.314 -0.954 0 CA-C-N 114.528 -1.215 . . . . 15.0 110.028 -173.454 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 . . . . . 0 N--CA 1.477 0.883 0 CA-C-O 120.917 0.389 . . . . 15.0 110.702 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 47.9 mm -111.06 111.32 56.15 Favored Pre-proline 0 C--N 1.324 -0.529 0 N-CA-C 109.506 -0.553 . . . . 15.0 109.506 177.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 114' ' ' PRO . . . . . 0.982 ' HB2' ' HB ' ' A' ' 37' ' ' THR . 4.7 Cg_exo -71.47 119.7 6.43 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 121.672 1.581 . . . . 15.0 111.721 179.758 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 115' ' ' PRO . . . . . 0.43 ' HA ' ' HD2' ' B' ' 116' ' ' PRO . 18.0 Cg_exo -68.34 136.3 36.62 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.568 2.179 . . . . 15.0 112.315 174.477 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 116' ' ' PRO . . . . . 0.43 ' HD2' ' HA ' ' B' ' 115' ' ' PRO . 6.9 Cg_endo -49.2 -179.55 0.01 OUTLIER 'Trans proline' 0 N--CA 1.415 -3.142 0 C-N-CA 124.998 3.799 . . . . 15.0 114.778 167.258 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 117' ' ' TYR . . . . . 0.645 ' HB3' HG21 ' A' ' 30' ' ' ILE . 24.6 p90 -76.59 131.72 39.06 Favored 'General case' 1 C--N 1.239 -4.201 1 CA-C-N 105.711 -5.222 . . . . 15.0 109.495 179.402 . . . . . . . . 4 3 . 1 . 011 nuclear build core ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 5.6 t -112.18 40.12 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-O 121.725 0.774 . . . . 15.0 110.081 -173.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 119' ' ' GLU . . . . . 0.472 ' OE1' ' HB2' ' B' ' 117' ' ' TYR . 2.3 mp0 . . . . . 0 C--N 1.323 -0.551 0 N-CA-C 109.096 -0.705 . . . . 15.0 109.096 176.388 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.7 mp . . . . . 0 C--O 1.233 0.209 0 N-CA-C 109.984 -0.376 . . . . 15.0 109.984 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.749 ' HB2' ' CD1' ' A' ' 17' ' ' TRP . 15.9 Cg_exo -49.55 150.93 7.9 Favored 'Trans proline' 0 CA--C 1.496 -1.385 0 C-N-CA 123.913 3.075 . . . . 15.0 115.362 176.431 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -63.69 120.07 11.11 Favored 'General case' 0 C--N 1.292 -1.909 0 CA-C-N 111.198 -2.728 . . . . 15.0 110.822 -172.273 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 91.34 0.17 73.88 Favored Glycine 0 N--CA 1.448 -0.566 0 CA-C-N 116.123 -0.489 . . . . 15.0 112.219 178.854 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.749 ' CD1' ' HB2' ' A' ' 14' ' ' PRO . 40.6 m95 -89.97 114.62 26.48 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.298 0.57 . . . . 15.0 110.572 177.82 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.592 ' O ' ' HA ' ' A' ' 29' ' ' PHE . 3.0 mt-10 -102.96 150.06 23.91 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.233 -0.894 . . . . 15.0 111.827 -178.09 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.538 HG22 ' CD2' ' A' ' 29' ' ' PHE . 15.9 t -119.02 103.17 14.08 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.188 0 CA-C-N 114.343 -1.299 . . . . 15.0 108.926 173.668 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.709 ' O ' ' HA ' ' A' ' 27' ' ' PRO . 10.6 ttm180 -125.92 146.6 49.78 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 120.681 -0.407 . . . . 15.0 109.977 -178.593 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.622 ' CE1' ' HD3' ' A' ' 27' ' ' PRO . 0.0 OUTLIER -96.75 118.87 34.15 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 109.123 -0.695 . . . . 15.0 109.123 -177.751 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.16 160.68 82.08 Favored Pre-proline 0 C--N 1.32 -0.706 0 N-CA-C 109.228 -0.656 . . . . 15.0 109.228 175.273 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -59.82 -10.51 12.17 Favored 'Trans proline' 0 CA--C 1.534 0.504 0 C-N-CA 122.77 2.313 . . . . 15.0 113.393 -177.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 20.3 p30 -80.41 -12.99 59.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.305 0.574 . . . . 15.0 109.968 176.537 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.37 9.9 46.21 Favored Glycine 0 N--CA 1.44 -1.089 0 CA-C-N 115.45 -0.795 . . . . 15.0 113.095 177.447 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 10.5 mmm180 -111.16 140.75 23.17 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 122.701 -0.293 . . . . 15.0 111.342 -178.316 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.709 ' HA ' ' O ' ' A' ' 20' ' ' ARG . 93.7 Cg_endo -88.58 115.15 0.8 Allowed 'Trans proline' 0 N--CA 1.457 -0.667 0 C-N-CA 122.659 2.239 . . . . 15.0 111.85 173.383 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.625 ' H ' ' HD1' ' A' ' 28' ' ' PHE . 0.4 OUTLIER -99.52 124.14 44.42 Favored 'General case' 0 N--CA 1.437 -1.118 0 CA-C-N 114.383 -1.281 . . . . 15.0 108.48 176.488 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.592 ' HA ' ' O ' ' A' ' 18' ' ' GLU . 7.2 m-85 -89.71 117.84 28.87 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.51 -0.768 . . . . 15.0 109.374 -174.868 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.706 HG21 ' HB3' ' B' ' 117' ' ' TYR . 20.0 mt -104.49 134.67 45.22 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.885 0 CA-C-N 115.618 -0.719 . . . . 15.0 111.377 -175.522 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -89.95 115.35 27.18 Favored 'General case' 0 C--N 1.307 -1.262 0 N-CA-C 108.096 -1.076 . . . . 15.0 108.096 168.013 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.418 ' NE2' ' HB ' ' A' ' 30' ' ' ILE . 11.9 m170 -94.32 5.04 53.01 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 115.842 -0.617 . . . . 15.0 110.927 -174.171 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 26.5 m-80 -90.02 -62.28 1.5 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.032 0.444 . . . . 15.0 110.846 177.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.8 m -111.43 2.58 17.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.004 -0.543 . . . . 15.0 110.599 -174.101 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.1 tmmm? 66.66 92.26 0.08 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.368 -0.833 . . . . 15.0 110.208 -178.536 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.1 m -140.61 150.31 43.43 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 114.81 -1.086 . . . . 15.0 108.279 177.853 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' THR . . . . . 1.062 ' HB ' ' HB2' ' B' ' 114' ' ' PRO . 5.5 p -138.23 135.9 36.02 Favored 'General case' 0 C--N 1.313 -1.007 0 C-N-CA 120.39 -0.524 . . . . 15.0 112.101 -176.092 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 14.7 t -150.27 150.21 31.21 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 115.68 -0.691 . . . . 15.0 109.408 -179.472 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 70.0 m95 -91.09 -19.87 22.66 Favored 'General case' 0 CA--C 1.512 -0.511 0 CA-C-O 121.897 0.856 . . . . 15.0 109.697 176.778 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -103.6 128.91 50.79 Favored 'General case' 0 C--N 1.31 -1.139 0 CA-C-N 114.263 -1.335 . . . . 15.0 110.613 -168.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -52.65 130.65 46.09 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 114.41 -1.268 . . . . 15.0 111.923 -170.381 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -68.84 -9.91 27.61 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.805 2.337 . . . . 15.0 112.093 178.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 11.2 tpp180 -76.95 -23.49 52.38 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.395 0.617 . . . . 15.0 110.13 178.455 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 88.4 mt -72.18 -9.81 58.94 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.35 -0.841 . . . . 15.0 110.811 174.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 45.7 mmtm . . . . . 0 C--N 1.308 -1.213 0 CA-C-N 114.799 -1.091 . . . . 15.0 109.722 177.631 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 86.7 mm-40 . . . . . 0 N--CA 1.479 0.997 0 N-CA-C 109.822 -0.436 . . . . 15.0 109.822 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 64.9 mt 69.56 103.68 0.03 OUTLIER Pre-proline 0 C--O 1.234 0.244 0 O-C-N 123.648 0.593 . . . . 15.0 110.628 -177.833 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 114' ' ' PRO . . . . . 1.062 ' HB2' ' HB ' ' A' ' 37' ' ' THR . 9.8 Cg_exo -69.05 127.61 15.42 Favored 'Trans proline' 0 N--CA 1.461 -0.393 0 C-N-CA 122.249 1.966 . . . . 15.0 111.802 178.211 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 115' ' ' PRO . . . . . 0.478 ' HA ' ' HD2' ' B' ' 116' ' ' PRO . 93.0 Cg_endo -81.81 134.56 8.51 Favored 'Trans proline' 0 CA--C 1.529 0.257 0 C-N-CA 122.897 2.398 . . . . 15.0 112.729 179.246 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 116' ' ' PRO . . . . . 0.478 ' HD2' ' HA ' ' B' ' 115' ' ' PRO . 7.3 Cg_endo -48.56 -179.64 0.01 OUTLIER 'Trans proline' 0 N--CA 1.419 -2.895 1 C-N-CA 125.396 4.064 . . . . 15.0 115.661 172.886 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 117' ' ' TYR . . . . . 0.706 ' HB3' HG21 ' A' ' 30' ' ' ILE . 30.4 p90 -70.86 120.08 15.93 Favored 'General case' 1 C--N 1.243 -4.039 1 CA-C-N 105.84 -5.163 . . . . 15.0 110.101 -177.807 . . . . . . . . 4 3 . 1 . 012 nuclear build core ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 14.4 p -80.43 -14.11 12.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 121.663 0.745 . . . . 15.0 109.626 176.025 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 . . . . . 0 C--N 1.323 -0.574 0 CA-C-N 115.134 -0.939 . . . . 15.0 109.794 179.553 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.2 mp . . . . . 0 N--CA 1.455 -0.22 0 CA-C-O 120.585 0.231 . . . . 15.0 110.383 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.692 ' HB2' ' CD1' ' A' ' 17' ' ' TRP . 15.8 Cg_exo -49.65 151.25 7.86 Favored 'Trans proline' 0 CA--C 1.493 -1.562 0 C-N-CA 124.33 3.354 . . . . 15.0 115.38 174.433 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.405 ' H ' ' HD2' ' A' ' 15' ' ' LYS . 10.6 mptt -65.14 137.11 57.44 Favored 'General case' 0 C--N 1.291 -1.937 0 CA-C-N 111.221 -2.718 . . . . 15.0 110.142 -174.068 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.82 -1.33 68.31 Favored Glycine 0 C--N 1.319 -0.397 0 CA-C-N 115.413 -0.812 . . . . 15.0 112.731 -179.258 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.692 ' CD1' ' HB2' ' A' ' 14' ' ' PRO . 49.4 m95 -90.24 103.86 16.5 Favored 'General case' 0 CA--C 1.516 -0.354 0 CA-C-O 121.392 0.615 . . . . 15.0 109.537 175.76 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.571 ' O ' ' HA ' ' A' ' 29' ' ' PHE . 27.4 mm-40 -96.02 145.68 25.25 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.911 -1.04 . . . . 15.0 111.735 -174.73 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.481 HG22 ' CD2' ' A' ' 29' ' ' PHE . 10.0 t -117.66 91.0 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.848 0 CA-C-N 114.97 -1.014 . . . . 15.0 110.121 -179.23 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.638 ' O ' ' HA ' ' A' ' 27' ' ' PRO . 6.7 ttm180 -105.67 134.52 48.65 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.606 -0.438 . . . . 15.0 110.123 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.458 ' CE1' ' HD3' ' A' ' 27' ' ' PRO . 0.4 OUTLIER -91.01 107.76 19.41 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 108.143 -1.058 . . . . 15.0 108.143 176.21 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.612 ' HB1' ' HD2' ' A' ' 23' ' ' PRO . . . -63.01 164.57 12.71 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 116.556 -0.293 . . . . 15.0 110.385 -178.533 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.612 ' HD2' ' HB1' ' A' ' 22' ' ' ALA . 16.8 Cg_endo -58.1 -16.82 28.9 Favored 'Trans proline' 0 C--N 1.35 0.614 0 C-N-CA 122.754 2.302 . . . . 15.0 113.493 -178.402 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.41 ' OD1' ' HB3' ' A' ' 22' ' ' ALA . 32.4 p-10 -80.49 -11.05 59.72 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.21 -0.663 . . . . 15.0 109.21 177.379 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 85.58 39.32 8.31 Favored Glycine 0 N--CA 1.437 -1.266 0 CA-C-N 114.8 -1.091 . . . . 15.0 112.382 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.424 ' HD3' ' HA ' ' A' ' 26' ' ' ARG . 18.9 mmt180 -127.18 133.92 25.58 Favored Pre-proline 0 C--N 1.324 -0.538 0 N-CA-C 110.099 -0.334 . . . . 15.0 110.099 175.258 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.638 ' HA ' ' O ' ' A' ' 20' ' ' ARG . 73.2 Cg_endo -88.72 107.16 0.48 Allowed 'Trans proline' 0 N--CA 1.451 -1.011 0 C-N-CA 122.201 1.934 . . . . 15.0 111.356 177.843 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.649 ' H ' ' HD1' ' A' ' 28' ' ' PHE . 0.2 OUTLIER -97.57 124.15 41.73 Favored 'General case' 0 N--CA 1.441 -0.893 0 CA-C-N 114.319 -1.309 . . . . 15.0 108.814 177.024 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.571 ' HA ' ' O ' ' A' ' 18' ' ' GLU . 11.6 m-85 -89.8 118.49 29.43 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.289 -0.868 . . . . 15.0 109.515 -174.403 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.747 HG21 ' HB3' ' B' ' 117' ' ' TYR . 19.0 mt -104.6 136.59 37.45 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.874 0 CA-C-N 115.418 -0.81 . . . . 15.0 110.772 -177.46 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.544 ' HB3' ' HB ' ' A' ' 36' ' ' THR . 1.2 t70 -89.68 116.09 27.54 Favored 'General case' 0 C--N 1.308 -1.237 0 CA-C-N 115.277 -0.874 . . . . 15.0 108.696 171.158 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.643 ' CE1' ' HB ' ' A' ' 30' ' ' ILE . 6.3 m80 -103.62 4.96 36.17 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.035 -0.984 . . . . 15.0 110.776 -175.539 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 15.9 m-80 -84.1 -30.43 25.97 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-O 121.558 0.694 . . . . 15.0 109.55 179.139 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.464 ' O ' ' HB3' ' A' ' 35' ' ' LYS . 84.3 m -138.85 -71.9 0.4 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.151 -0.931 . . . . 15.0 109.477 178.759 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.534 ' O ' ' HG3' ' A' ' 35' ' ' LYS . 19.4 ptpt 161.1 103.59 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.34 0 O-C-N 124.392 1.058 . . . . 15.0 110.21 173.833 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.544 ' HB ' ' HB3' ' A' ' 31' ' ' ASP . 1.3 m -150.36 150.89 32.04 Favored 'General case' 0 C--N 1.307 -1.241 0 CA-C-N 114.608 -1.178 . . . . 15.0 109.594 -178.771 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' THR . . . . . 1.006 ' HB ' ' HB2' ' B' ' 114' ' ' PRO . 1.0 OUTLIER -141.14 132.79 27.16 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-O 121.117 0.484 . . . . 15.0 111.684 178.675 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.535 ' OG1' ' HG3' ' A' ' 40' ' ' GLU . 9.3 t -150.02 150.16 31.38 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.941 -0.572 . . . . 15.0 110.388 -179.375 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 63.3 m95 -92.49 -12.26 32.45 Favored 'General case' 0 CA--C 1.514 -0.415 0 CA-C-O 120.904 0.383 . . . . 15.0 110.337 177.723 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.535 ' HG3' ' OG1' ' A' ' 38' ' ' THR . 1.0 OUTLIER -99.23 159.98 14.6 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-N 115.972 -0.558 . . . . 15.0 110.693 -172.723 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.687 ' HB3' ' HG3' ' A' ' 43' ' ' ARG . 4.7 m-20 -91.88 125.59 56.59 Favored Pre-proline 0 C--N 1.319 -0.731 0 CA-C-N 115.897 -0.592 . . . . 15.0 111.43 -171.002 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -60.99 -9.78 13.06 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 123.388 2.725 . . . . 15.0 112.289 176.032 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.687 ' HG3' ' HB3' ' A' ' 41' ' ' ASP . 13.9 mtt180 -60.99 -26.05 67.31 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 116.139 -0.482 . . . . 15.0 110.917 -178.545 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 71.2 mt -79.95 -10.04 59.74 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.591 0.71 . . . . 15.0 111.117 -178.205 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 57.1 mttp . . . . . 0 C--N 1.307 -1.243 0 CA-C-N 114.873 -1.058 . . . . 15.0 110.36 -173.888 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 112' ' ' GLN . . . . . 0.646 ' N ' HE21 ' B' ' 112' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.972 0 CA-C-O 121.306 0.574 . . . . 15.0 110.761 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 69.0 mt -96.82 118.9 64.57 Favored Pre-proline 0 C--N 1.326 -0.426 0 CA-C-N 116.233 -0.44 . . . . 15.0 110.296 179.648 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 114' ' ' PRO . . . . . 1.006 ' HB2' ' HB ' ' A' ' 37' ' ' THR . 2.7 Cg_exo -71.21 122.52 8.79 Favored 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 122.117 1.878 . . . . 15.0 112.13 177.083 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 115' ' ' PRO . . . . . 0.467 ' HA ' ' HD2' ' B' ' 116' ' ' PRO . 31.2 Cg_exo -63.02 125.69 16.4 Favored 'Trans proline' 0 N--CA 1.474 0.342 0 C-N-CA 122.881 2.387 . . . . 15.0 112.66 173.104 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 116' ' ' PRO . . . . . 0.467 ' HD2' ' HA ' ' B' ' 115' ' ' PRO . 7.2 Cg_endo -48.91 -179.64 0.01 OUTLIER 'Trans proline' 0 N--CA 1.416 -3.085 0 C-N-CA 124.747 3.631 . . . . 15.0 114.9 168.683 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 117' ' ' TYR . . . . . 0.747 ' HB3' HG21 ' A' ' 30' ' ' ILE . 25.5 p90 -72.98 127.2 31.84 Favored 'General case' 1 C--N 1.243 -4.052 1 CA-C-N 105.973 -5.103 . . . . 15.0 109.806 -179.394 . . . . . . . . 4 3 . 1 . 013 nuclear build core ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 8.6 p -108.7 -3.61 10.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 N-CA-C 108.761 -0.829 . . . . 15.0 108.761 177.032 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 . . . . . 0 C--N 1.327 -0.393 0 CA-C-N 114.681 -1.145 . . . . 15.0 110.191 177.365 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.418 HD13 ' HA ' ' A' ' 13' ' ' LEU . 4.1 mm? . . . . . 0 CA--C 1.52 -0.207 0 N-CA-C 109.756 -0.461 . . . . 15.0 109.756 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.762 ' HB2' ' CD1' ' A' ' 17' ' ' TRP . 10.7 Cg_exo -49.85 151.02 8.74 Favored 'Trans proline' 0 CA--C 1.496 -1.397 0 C-N-CA 123.629 2.886 . . . . 15.0 115.03 170.711 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 32.9 ttpt -60.42 124.3 19.93 Favored 'General case' 0 C--N 1.287 -2.141 0 CA-C-N 111.215 -2.721 . . . . 15.0 110.812 -172.828 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.45 -1.3 88.44 Favored Glycine 0 C--N 1.33 0.213 0 CA-C-N 116.046 -0.525 . . . . 15.0 112.659 -179.731 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.762 ' CD1' ' HB2' ' A' ' 14' ' ' PRO . 51.0 m95 -89.89 117.77 28.96 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.088 0.47 . . . . 15.0 110.145 177.342 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.492 ' O ' ' HA ' ' A' ' 29' ' ' PHE . 31.2 mm-40 -111.4 149.57 31.03 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.5 -0.773 . . . . 15.0 111.694 -176.133 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.53 HG22 ' CD2' ' A' ' 29' ' ' PHE . 16.2 t -115.75 108.66 25.8 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.897 0 CA-C-N 114.772 -1.104 . . . . 15.0 109.229 177.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.715 ' O ' ' HA ' ' A' ' 27' ' ' PRO . 1.0 OUTLIER -123.63 143.64 50.11 Favored 'General case' 0 C--N 1.316 -0.854 0 C-N-CA 120.406 -0.518 . . . . 15.0 110.165 178.484 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.533 ' CE1' ' HD3' ' A' ' 27' ' ' PRO . 0.3 OUTLIER -101.95 110.23 22.16 Favored 'General case' 0 C--N 1.311 -1.069 0 N-CA-C 107.846 -1.168 . . . . 15.0 107.846 -178.824 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.416 ' HB3' ' OD1' ' A' ' 24' ' ' ASN . . . -62.52 162.13 22.21 Favored Pre-proline 0 C--N 1.323 -0.558 0 N-CA-C 110.046 -0.353 . . . . 15.0 110.046 -179.802 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -57.97 -18.61 36.25 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.6 2.2 . . . . 15.0 113.381 -176.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.416 ' OD1' ' HB3' ' A' ' 22' ' ' ALA . 33.7 p-10 -80.38 -10.03 59.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.559 0.695 . . . . 15.0 109.477 177.928 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 88.72 29.6 18.03 Favored Glycine 0 N--CA 1.44 -1.048 0 CA-C-N 114.892 -1.049 . . . . 15.0 112.802 178.099 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.7 mmp_? -115.76 131.03 23.89 Favored Pre-proline 0 C--N 1.321 -0.668 0 N-CA-C 109.405 -0.591 . . . . 15.0 109.405 174.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.715 ' HA ' ' O ' ' A' ' 20' ' ' ARG . 95.3 Cg_endo -88.93 116.54 0.8 Allowed 'Trans proline' 0 N--CA 1.457 -0.649 0 C-N-CA 122.119 1.879 . . . . 15.0 112.411 176.664 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.583 ' H ' ' HD1' ' A' ' 28' ' ' PHE . 0.2 OUTLIER -104.4 123.31 47.21 Favored 'General case' 0 N--CA 1.442 -0.857 0 CA-C-N 113.957 -1.474 . . . . 15.0 109.066 177.894 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.53 ' CD2' HG22 ' A' ' 19' ' ' VAL . 9.3 m-85 -89.74 120.42 30.98 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.591 -0.731 . . . . 15.0 109.628 -174.895 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.771 HG21 ' HB3' ' B' ' 117' ' ' TYR . 16.9 mt -106.17 136.69 39.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.977 -0.556 . . . . 15.0 111.747 -174.834 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.842 ' HB3' ' HB ' ' A' ' 36' ' ' THR . 0.4 OUTLIER -90.04 110.72 21.7 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-N 114.957 -1.02 . . . . 15.0 108.753 168.867 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.624 ' CE1' ' HB2' ' B' ' 117' ' ' TYR . 12.1 m-70 -93.98 0.27 55.94 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.008 -0.996 . . . . 15.0 110.879 -174.375 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 15.1 m-80 -80.91 -34.22 33.59 Favored 'General case' 0 CA--C 1.512 -0.514 0 N-CA-C 108.996 -0.742 . . . . 15.0 108.996 177.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.408 ' O ' ' HG2' ' A' ' 35' ' ' LYS . 18.0 m -124.67 -87.6 0.62 Allowed 'General case' 0 N--CA 1.443 -0.798 0 CA-C-N 115.507 -0.77 . . . . 15.0 110.841 177.246 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.408 ' HG2' ' O ' ' A' ' 34' ' ' THR . 39.3 mmtm -172.4 21.62 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 122.739 0.416 . . . . 15.0 110.59 -170.914 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.842 ' HB ' ' HB3' ' A' ' 31' ' ' ASP . 1.9 m -90.16 150.71 21.9 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.461 -0.496 . . . . 15.0 110.967 -168.017 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' THR . . . . . 1.016 ' HB ' ' HB2' ' B' ' 114' ' ' PRO . 7.7 p -146.58 133.34 20.01 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-N 116.101 -0.5 . . . . 15.0 110.934 -178.615 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.475 ' OG1' ' HG3' ' A' ' 40' ' ' GLU . 10.2 t -150.16 150.15 31.24 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.145 -0.48 . . . . 15.0 110.168 179.512 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 66.7 m95 -88.46 -11.37 46.12 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 121.257 0.551 . . . . 15.0 110.158 178.712 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.475 ' HG3' ' OG1' ' A' ' 38' ' ' THR . 0.4 OUTLIER -108.01 162.55 13.94 Favored 'General case' 0 N--CA 1.44 -0.965 0 CA-C-N 115.623 -0.717 . . . . 15.0 110.372 -172.918 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -97.84 128.56 33.65 Favored Pre-proline 0 C--N 1.319 -0.726 0 CA-C-O 121.326 0.584 . . . . 15.0 112.23 -169.251 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -63.83 -10.1 21.3 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 123.727 2.951 . . . . 15.0 112.438 179.708 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 77.1 mtp180 -76.95 -41.03 44.85 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.777 -0.647 . . . . 15.0 110.178 179.681 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.9 -16.37 55.46 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.263 -0.88 . . . . 15.0 110.975 178.896 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 37.9 ttmt . . . . . 0 C--O 1.249 1.055 0 O-C-N 125.763 1.914 . . . . 15.0 113.356 178.772 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 27.5 mm-40 . . . . . 0 N--CA 1.482 1.151 0 CA-C-O 120.868 0.366 . . . . 15.0 110.52 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 6.1 tp -108.53 114.91 58.54 Favored Pre-proline 0 C--N 1.317 -0.844 0 CA-C-N 116.038 -0.528 . . . . 15.0 111.022 -176.737 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 114' ' ' PRO . . . . . 1.016 ' HB2' ' HB ' ' A' ' 37' ' ' THR . 13.8 Cg_exo -68.69 126.12 13.61 Favored 'Trans proline' 0 CA--C 1.53 0.284 0 C-N-CA 122.188 1.925 . . . . 15.0 111.617 173.634 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 115' ' ' PRO . . . . . 0.462 ' HA ' ' HD2' ' B' ' 116' ' ' PRO . 52.2 Cg_exo -57.71 126.75 22.78 Favored 'Trans proline' 0 C--N 1.343 0.26 0 C-N-CA 122.851 2.367 . . . . 15.0 112.775 174.77 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 116' ' ' PRO . . . . . 0.462 ' HD2' ' HA ' ' B' ' 115' ' ' PRO . 6.7 Cg_endo -48.81 -179.65 0.01 OUTLIER 'Trans proline' 0 N--CA 1.415 -3.114 0 C-N-CA 125.016 3.811 . . . . 15.0 115.326 170.495 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 117' ' ' TYR . . . . . 0.771 ' HB3' HG21 ' A' ' 30' ' ' ILE . 2.7 p90 -83.62 133.63 34.83 Favored 'General case' 0 C--N 1.244 -3.993 1 CA-C-N 105.9 -5.137 . . . . 15.0 110.542 -177.168 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 29.1 m -117.97 -7.36 11.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 121.359 0.599 . . . . 15.0 109.559 176.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.237 0.404 0 CA-C-N 115.211 -0.904 . . . . 15.0 109.886 179.159 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.4 pp . . . . . 0 C--O 1.234 0.264 0 N-CA-C 108.534 -0.913 . . . . 15.0 108.534 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.665 ' HB2' ' CD1' ' A' ' 17' ' ' TRP . 44.8 Cg_exo -49.55 150.66 8.3 Favored 'Trans proline' 0 CA--C 1.498 -1.288 0 C-N-CA 123.577 2.852 . . . . 15.0 115.882 -176.77 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -75.62 129.68 37.55 Favored 'General case' 0 C--N 1.288 -2.086 0 CA-C-N 111.241 -2.709 . . . . 15.0 110.687 -172.048 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 88.63 -0.17 82.53 Favored Glycine 0 N--CA 1.451 -0.346 0 CA-C-N 115.662 -0.699 . . . . 15.0 111.423 -176.656 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.665 ' CD1' ' HB2' ' A' ' 14' ' ' PRO . 26.2 m95 -90.92 117.12 29.27 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-O 121.338 0.589 . . . . 15.0 110.043 175.775 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.602 ' O ' ' HA ' ' A' ' 29' ' ' PHE . 11.8 mm-40 -105.03 149.45 25.79 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-N 115.25 -0.886 . . . . 15.0 111.039 -177.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.533 HG22 ' CD2' ' A' ' 29' ' ' PHE . 8.9 t -125.57 90.01 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.297 0 CA-C-N 114.758 -1.11 . . . . 15.0 108.988 178.215 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.677 ' O ' ' HA ' ' A' ' 27' ' ' PRO . 21.9 ttm180 -102.46 144.83 30.41 Favored 'General case' 0 C--N 1.318 -0.775 0 C-N-CA 120.635 -0.426 . . . . 15.0 109.914 -177.402 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.462 ' HA ' ' O ' ' A' ' 26' ' ' ARG . 0.3 OUTLIER -99.53 109.59 22.11 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 108.234 -1.024 . . . . 15.0 108.234 179.074 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.12 164.75 12.5 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-N 116.507 -0.315 . . . . 15.0 110.321 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -59.06 -18.36 43.03 Favored 'Trans proline' 0 C--N 1.35 0.626 0 C-N-CA 122.522 2.148 . . . . 15.0 113.25 -178.46 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 32.3 p-10 -80.41 -10.23 59.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.664 0.745 . . . . 15.0 109.263 177.49 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.3 38.24 7.86 Favored Glycine 0 N--CA 1.438 -1.169 0 CA-C-N 114.793 -1.094 . . . . 15.0 113.077 177.683 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.462 ' O ' ' HA ' ' A' ' 21' ' ' HIS . 6.5 mmp_? -123.25 142.0 37.44 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 122.735 -0.273 . . . . 15.0 110.678 175.404 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.677 ' HA ' ' O ' ' A' ' 20' ' ' ARG . 95.3 Cg_endo -87.76 113.54 0.87 Allowed 'Trans proline' 0 C--O 1.233 0.268 0 C-N-CA 122.329 2.02 . . . . 15.0 112.2 172.869 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.415 ' H ' ' HD1' ' A' ' 28' ' ' PHE . 0.8 OUTLIER -104.35 123.21 47.0 Favored 'General case' 0 N--CA 1.441 -0.918 0 CA-C-N 114.001 -1.454 . . . . 15.0 108.435 174.253 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.602 ' HA ' ' O ' ' A' ' 18' ' ' GLU . 8.2 m-85 -89.59 124.22 34.36 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.556 -0.747 . . . . 15.0 109.472 -174.781 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.863 HG21 ' HB3' ' B' ' 117' ' ' TYR . 21.3 mt -107.58 133.31 52.72 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.044 0 CA-C-N 115.396 -0.82 . . . . 15.0 110.529 -179.631 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.665 ' O ' ' HA ' ' A' ' 35' ' ' LYS . 13.0 t70 -89.95 114.85 26.74 Favored 'General case' 0 C--N 1.304 -1.384 0 N-CA-C 108.088 -1.079 . . . . 15.0 108.088 169.69 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.553 ' CE1' ' HB2' ' B' ' 117' ' ' TYR . 12.0 m170 -95.56 4.24 53.34 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 116.038 -0.528 . . . . 15.0 110.549 -174.725 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 24.5 m-80 -89.85 -64.01 1.2 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.024 -0.535 . . . . 15.0 110.319 179.389 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.441 ' O ' ' HB3' ' A' ' 35' ' ' LYS . 23.4 m -100.51 -21.67 15.25 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.728 -0.669 . . . . 15.0 109.947 -178.084 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.688 ' HD3' ' HE1' ' B' ' 117' ' ' TYR . 37.4 ttpt 82.6 98.47 0.05 OUTLIER 'General case' 0 CA--C 1.514 -0.412 0 CA-C-N 114.367 -1.288 . . . . 15.0 112.146 178.346 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -150.68 149.97 30.5 Favored 'General case' 0 C--N 1.309 -1.159 0 CA-C-N 113.337 -1.756 . . . . 15.0 108.827 174.478 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.611 ' HB ' ' HG2' ' B' ' 114' ' ' PRO . 4.8 p -126.45 131.46 51.67 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.155 0.502 . . . . 15.0 111.781 178.838 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.522 ' OG1' ' HG3' ' A' ' 40' ' ' GLU . 4.9 t -147.96 150.14 33.47 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.756 -0.656 . . . . 15.0 110.185 -177.362 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 57.7 m95 -90.18 -4.87 56.99 Favored 'General case' 0 CA--C 1.512 -0.514 0 CA-C-O 120.885 0.374 . . . . 15.0 110.844 -177.345 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.522 ' HG3' ' OG1' ' A' ' 38' ' ' THR . 0.7 OUTLIER -105.43 156.99 17.67 Favored 'General case' 0 N--CA 1.438 -1.035 0 CA-C-N 115.979 -0.555 . . . . 15.0 110.957 -173.524 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 1.011 ' HB3' HD13 ' A' ' 44' ' ' LEU . 5.1 t0 -93.49 130.42 35.42 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-N 115.606 -0.725 . . . . 15.0 111.961 -161.829 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -75.21 -12.01 21.1 Favored 'Trans proline' 0 C--N 1.351 0.706 0 C-N-CA 122.655 2.237 . . . . 15.0 113.269 178.043 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 64.1 mtm180 -74.17 -19.1 60.67 Favored 'General case' 0 CA--C 1.511 -0.539 0 CA-C-O 122.209 1.004 . . . . 15.0 109.536 177.522 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 1.011 HD13 ' HB3' ' A' ' 41' ' ' ASP . 4.7 mp -77.66 -9.46 58.98 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-N 113.611 -1.631 . . . . 15.0 110.364 -179.512 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.5 mptp? . . . . . 0 C--O 1.25 1.08 0 CA-C-N 114.759 -1.11 . . . . 15.0 110.507 -178.641 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 61.2 tt0 . . . . . 0 N--CA 1.479 1.006 0 N-CA-C 110.299 -0.26 . . . . 15.0 110.299 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 15.5 pt -54.9 115.23 8.44 Favored Pre-proline 0 CA--C 1.539 0.527 0 O-C-N 123.615 0.572 . . . . 15.0 112.43 -177.533 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 114' ' ' PRO . . . . . 0.611 ' HG2' ' HB ' ' A' ' 37' ' ' THR . 9.3 Cg_endo -78.0 138.35 16.37 Favored 'Trans proline' 0 CA--C 1.534 0.478 0 C-N-CA 122.529 2.153 . . . . 15.0 112.675 178.841 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 115' ' ' PRO . . . . . 0.45 ' HA ' ' HD2' ' B' ' 116' ' ' PRO . 81.1 Cg_exo -51.71 126.35 19.48 Favored 'Trans proline' 0 N--CA 1.477 0.537 0 C-N-CA 123.779 2.986 . . . . 15.0 114.243 174.249 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 116' ' ' PRO . . . . . 0.45 ' HD2' ' HA ' ' B' ' 115' ' ' PRO . 7.9 Cg_endo -49.84 -179.47 0.02 OUTLIER 'Trans proline' 0 N--CA 1.419 -2.909 1 C-N-CA 125.331 4.021 . . . . 15.0 115.193 166.769 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 117' ' ' TYR . . . . . 0.863 ' HB3' HG21 ' A' ' 30' ' ' ILE . 14.4 p90 -77.62 143.83 37.93 Favored 'General case' 0 C--N 1.248 -3.813 1 CA-C-N 105.876 -5.147 . . . . 15.0 110.67 -178.674 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 51.0 t -106.33 -38.52 4.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 108.9 -0.778 . . . . 15.0 108.9 175.357 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.32 -0.712 0 CA-C-N 114.647 -1.16 . . . . 15.0 109.429 177.194 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.4 HD13 ' HA ' ' A' ' 13' ' ' LEU . 3.8 mm? . . . . . 0 C--O 1.234 0.244 0 CA-C-O 120.555 0.217 . . . . 15.0 110.601 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.742 ' HB2' ' CD1' ' A' ' 17' ' ' TRP . 13.0 Cg_exo -49.72 151.14 8.18 Favored 'Trans proline' 0 CA--C 1.496 -1.381 0 C-N-CA 124.193 3.262 . . . . 15.0 115.518 173.456 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 38.5 ttmt -63.01 124.81 22.05 Favored 'General case' 0 C--N 1.289 -2.065 0 CA-C-N 111.425 -2.625 . . . . 15.0 110.654 -173.362 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 87.25 -5.45 85.08 Favored Glycine 0 N--CA 1.451 -0.339 0 CA-C-N 116.042 -0.526 . . . . 15.0 112.146 -177.874 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.742 ' CD1' ' HB2' ' A' ' 14' ' ' PRO . 48.5 m95 -89.85 114.36 26.1 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.355 -0.609 . . . . 15.0 109.355 175.111 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.662 ' O ' ' HA ' ' A' ' 29' ' ' PHE . 5.7 mm-40 -106.99 144.88 32.98 Favored 'General case' 0 C--N 1.31 -1.141 0 CA-C-N 115.151 -0.931 . . . . 15.0 111.756 -174.589 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.501 HG22 ' CD2' ' A' ' 29' ' ' PHE . 10.2 t -118.93 96.0 4.08 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.176 0 CA-C-N 114.195 -1.366 . . . . 15.0 109.76 -177.477 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.617 ' O ' ' HA ' ' A' ' 27' ' ' PRO . 0.3 OUTLIER -113.07 130.28 56.22 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 120.615 -0.434 . . . . 15.0 110.211 -179.125 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.431 ' CE1' ' HD3' ' A' ' 27' ' ' PRO . 1.0 OUTLIER -91.0 110.21 21.47 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.325 -0.991 . . . . 15.0 108.325 176.934 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.15 166.07 11.67 Favored Pre-proline 0 C--N 1.327 -0.401 0 O-C-N 123.215 0.322 . . . . 15.0 110.345 -179.199 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -60.33 -17.8 49.08 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.668 2.246 . . . . 15.0 113.107 177.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 30.3 p30 -80.05 -10.19 59.75 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.141 -0.688 . . . . 15.0 109.141 174.901 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 83.03 36.88 13.78 Favored Glycine 0 N--CA 1.439 -1.113 0 CA-C-N 114.972 -1.013 . . . . 15.0 112.546 178.428 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 8.7 mpt_? -114.3 129.62 24.71 Favored Pre-proline 0 C--N 1.319 -0.746 0 N-CA-C 109.659 -0.497 . . . . 15.0 109.659 173.207 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.617 ' HA ' ' O ' ' A' ' 20' ' ' ARG . 56.7 Cg_endo -88.91 99.94 0.37 Allowed 'Trans proline' 0 N--CA 1.447 -1.208 0 C-N-CA 121.802 1.668 . . . . 15.0 110.523 173.394 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.424 ' H ' ' HD1' ' A' ' 28' ' ' PHE . 1.2 p90 -94.27 121.88 36.24 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-N 114.259 -1.337 . . . . 15.0 109.357 -178.47 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.662 ' HA ' ' O ' ' A' ' 18' ' ' GLU . 16.2 m-85 -89.79 117.33 28.55 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 115.572 -0.74 . . . . 15.0 109.768 -174.078 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.949 HG21 ' HB3' ' B' ' 117' ' ' TYR . 20.7 mt -102.17 133.64 45.15 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.996 0 CA-C-N 115.425 -0.807 . . . . 15.0 110.173 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.411 ' O ' ' HA ' ' A' ' 35' ' ' LYS . 16.4 t70 -89.97 110.04 21.03 Favored 'General case' 0 C--N 1.302 -1.495 0 N-CA-C 108.27 -1.011 . . . . 15.0 108.27 171.653 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.504 ' NE2' ' HB ' ' A' ' 30' ' ' ILE . 12.3 m170 -90.48 6.21 44.43 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.42 -0.809 . . . . 15.0 110.284 -174.592 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 29.5 m-80 -90.08 -71.67 0.6 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.723 -0.671 . . . . 15.0 110.417 176.777 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.5 m -98.7 -8.35 26.28 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.62 -0.718 . . . . 15.0 110.16 -173.609 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.411 ' HA ' ' O ' ' A' ' 31' ' ' ASP . 63.4 mttt 76.71 97.44 0.07 Allowed 'General case' 0 CA--C 1.514 -0.42 0 CA-C-N 114.584 -1.189 . . . . 15.0 111.271 179.285 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -150.22 150.56 31.73 Favored 'General case' 0 C--N 1.311 -1.1 0 CA-C-N 113.801 -1.545 . . . . 15.0 109.148 -175.493 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.976 ' HB ' ' HB2' ' B' ' 114' ' ' PRO . 10.7 p -132.73 129.92 39.32 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-O 120.968 0.413 . . . . 15.0 111.375 178.545 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 12.6 t -150.34 149.94 30.77 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 116.014 -0.539 . . . . 15.0 109.726 -176.88 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 25.2 m95 -97.22 -25.68 15.2 Favored 'General case' 0 CA--C 1.509 -0.603 0 CA-C-O 121.902 0.858 . . . . 15.0 109.711 177.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.455 ' CD ' ' H ' ' A' ' 40' ' ' GLU . 2.3 pm0 -86.61 126.66 34.66 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 114.299 -1.319 . . . . 15.0 110.358 -173.902 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -53.79 128.43 54.21 Favored Pre-proline 0 C--N 1.317 -0.816 0 CA-C-N 114.504 -1.226 . . . . 15.0 111.851 -174.518 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -65.16 -10.2 24.8 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.793 2.328 . . . . 15.0 112.011 176.894 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 20.4 mmm180 -72.89 -9.83 59.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.86 -0.609 . . . . 15.0 111.293 179.546 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 88.7 mt -78.86 -9.96 59.65 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.607 0.718 . . . . 15.0 110.764 178.355 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.467 ' HA ' ' HD2' ' A' ' 45' ' ' LYS . 12.5 tptp . . . . . 0 C--N 1.31 -1.114 0 CA-C-N 114.874 -1.057 . . . . 15.0 110.705 179.754 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? . . . . . 0 N--CA 1.476 0.859 0 N-CA-C 109.771 -0.455 . . . . 15.0 109.771 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 70.7 mt 68.19 98.36 0.04 OUTLIER Pre-proline 0 N--CA 1.467 0.384 0 C-N-CA 123.274 0.63 . . . . 15.0 111.42 -178.457 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 114' ' ' PRO . . . . . 0.976 ' HB2' ' HB ' ' A' ' 37' ' ' THR . 3.1 Cg_exo -74.78 122.07 7.07 Favored 'Trans proline' 0 N--CA 1.461 -0.391 0 C-N-CA 122.62 2.213 . . . . 15.0 112.027 178.169 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 115' ' ' PRO . . . . . 0.411 ' HA ' ' HD2' ' B' ' 116' ' ' PRO . 35.6 Cg_exo -61.44 125.16 16.18 Favored 'Trans proline' 0 CA--C 1.53 0.304 0 C-N-CA 122.724 2.283 . . . . 15.0 113.114 174.256 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 116' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' B' ' 115' ' ' PRO . 8.2 Cg_endo -49.21 -179.55 0.01 OUTLIER 'Trans proline' 0 N--CA 1.415 -3.129 0 C-N-CA 125.15 3.9 . . . . 15.0 114.932 167.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 117' ' ' TYR . . . . . 0.949 ' HB3' HG21 ' A' ' 30' ' ' ILE . 2.4 p90 -96.96 137.06 36.62 Favored 'General case' 1 C--N 1.239 -4.214 1 CA-C-N 105.854 -5.157 . . . . 15.0 109.736 179.414 . . . . . . . . 4 3 . 1 . 016 nuclear build core ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 11.0 p -118.11 -13.2 10.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-O 121.776 0.798 . . . . 15.0 108.949 173.182 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 119' ' ' GLU . . . . . 0.483 ' CD ' HH22 ' A' ' 20' ' ' ARG . 2.4 pm0 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 114.819 -1.082 . . . . 15.0 111.245 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.1 pp . . . . . 0 N--CA 1.454 -0.235 0 N-CA-C 109.992 -0.373 . . . . 15.0 109.992 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.779 ' HB2' ' CD1' ' A' ' 17' ' ' TRP . 92.4 Cg_exo -50.0 151.29 8.86 Favored 'Trans proline' 0 CA--C 1.496 -1.394 0 C-N-CA 124.146 3.231 . . . . 15.0 116.043 -176.58 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 50.7 mtpt -70.72 142.94 51.44 Favored 'General case' 0 C--N 1.287 -2.109 0 CA-C-N 111.054 -2.794 . . . . 15.0 110.106 -175.548 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 71.35 3.69 54.16 Favored Glycine 0 C--N 1.322 -0.2 0 CA-C-N 116.181 -0.463 . . . . 15.0 112.652 -178.423 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.779 ' CD1' ' HB2' ' A' ' 14' ' ' PRO . 15.5 m95 -90.03 113.01 24.62 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.313 0.577 . . . . 15.0 110.247 177.63 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.544 ' O ' ' HA ' ' A' ' 29' ' ' PHE . 2.4 mm-40 -108.86 149.03 29.72 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.377 -0.829 . . . . 15.0 111.558 -176.649 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.528 HG22 ' CD2' ' A' ' 29' ' ' PHE . 12.9 t -117.38 97.96 6.07 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.185 0 CA-C-N 114.745 -1.116 . . . . 15.0 109.176 179.741 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.76 ' O ' ' HA ' ' A' ' 27' ' ' PRO . 5.6 tpp180 -111.61 146.04 38.11 Favored 'General case' 0 C--N 1.316 -0.85 0 C-N-CA 120.764 -0.374 . . . . 15.0 110.062 -179.06 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.627 ' CE1' ' HD3' ' A' ' 27' ' ' PRO . 0.0 OUTLIER -101.49 112.8 25.45 Favored 'General case' 0 C--N 1.314 -0.975 0 N-CA-C 108.117 -1.068 . . . . 15.0 108.117 178.937 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.419 ' HB3' ' OD1' ' A' ' 24' ' ' ASN . . . -65.14 159.5 64.71 Favored Pre-proline 0 C--N 1.321 -0.633 0 N-CA-C 109.479 -0.563 . . . . 15.0 109.479 177.335 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -59.87 -13.28 21.85 Favored 'Trans proline' 0 CA--C 1.532 0.405 0 C-N-CA 122.531 2.154 . . . . 15.0 113.391 -177.424 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.419 ' OD1' ' HB3' ' A' ' 22' ' ' ALA . 29.8 p-10 -80.51 -11.31 59.69 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 109.316 -0.624 . . . . 15.0 109.316 176.351 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 95.75 26.24 12.05 Favored Glycine 0 N--CA 1.44 -1.054 0 CA-C-N 115.345 -0.843 . . . . 15.0 113.142 175.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 26.9 mmm180 -122.13 139.36 30.37 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 122.651 -0.323 . . . . 15.0 111.291 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.76 ' HA ' ' O ' ' A' ' 20' ' ' ARG . 98.5 Cg_endo -88.26 117.17 1.0 Allowed 'Trans proline' 0 N--CA 1.46 -0.489 0 C-N-CA 122.601 2.201 . . . . 15.0 112.442 175.448 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.498 ' H ' ' HD1' ' A' ' 28' ' ' PHE . 0.3 OUTLIER -105.35 124.0 48.81 Favored 'General case' 0 N--CA 1.436 -1.147 0 CA-C-N 113.546 -1.661 . . . . 15.0 108.099 174.804 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.544 ' HA ' ' O ' ' A' ' 18' ' ' GLU . 11.5 m-85 -89.7 114.09 25.69 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 109.203 -0.665 . . . . 15.0 109.203 -174.573 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.716 HG21 ' HB3' ' B' ' 117' ' ' TYR . 21.6 mt -94.86 127.93 46.45 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.164 0 CA-C-N 115.308 -0.86 . . . . 15.0 110.596 -176.876 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -90.09 104.32 16.9 Favored 'General case' 0 C--N 1.303 -1.416 0 CA-C-N 114.626 -1.17 . . . . 15.0 108.259 170.77 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.439 ' NE2' ' HB ' ' A' ' 30' ' ' ILE . 11.4 m170 -84.63 2.44 41.53 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.485 -0.78 . . . . 15.0 110.583 -173.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 12.2 m-80 -90.08 -57.68 2.77 Favored 'General case' 0 C--O 1.23 0.071 0 CA-C-O 121.135 0.493 . . . . 15.0 110.562 179.203 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.419 ' O ' ' HB2' ' A' ' 35' ' ' LYS . 0.6 OUTLIER -102.03 1.06 36.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.884 -0.598 . . . . 15.0 110.678 -175.827 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.779 ' HG3' ' HE1' ' B' ' 117' ' ' TYR . 0.8 OUTLIER 69.72 31.57 3.52 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 115.66 -0.7 . . . . 15.0 110.562 179.651 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -92.77 150.49 20.61 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.948 -0.569 . . . . 15.0 110.293 -178.838 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.831 ' HB ' ' HB2' ' B' ' 114' ' ' PRO . 14.0 p -131.98 135.95 46.94 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 120.994 0.426 . . . . 15.0 111.395 178.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.525 ' OG1' ' HG3' ' A' ' 40' ' ' GLU . 9.9 t -150.12 150.14 31.25 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.087 -0.506 . . . . 15.0 110.236 -178.259 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.452 ' CZ3' ' HB3' ' A' ' 28' ' ' PHE . 62.8 m95 -91.25 -16.22 27.95 Favored 'General case' 0 CA--C 1.508 -0.671 0 CA-C-O 121.073 0.463 . . . . 15.0 110.441 178.536 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.525 ' HG3' ' OG1' ' A' ' 38' ' ' THR . 1.2 pp20? -91.53 158.07 16.66 Favored 'General case' 0 N--CA 1.438 -1.035 0 CA-C-N 115.775 -0.648 . . . . 15.0 110.859 -172.507 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -87.77 130.69 45.9 Favored Pre-proline 0 C--N 1.318 -0.776 0 CA-C-N 115.289 -0.869 . . . . 15.0 111.353 -165.163 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -63.64 -9.9 20.1 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.954 2.436 . . . . 15.0 112.008 175.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 21.1 mmm-85 -60.56 -24.38 65.37 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.069 0.462 . . . . 15.0 110.301 177.132 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 91.0 mt -80.42 -9.45 59.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.697 -0.683 . . . . 15.0 110.696 178.708 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 42.4 mttp . . . . . 0 C--N 1.309 -1.153 0 CA-C-N 114.638 -1.164 . . . . 15.0 109.965 -176.861 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.479 1.009 0 CA-C-O 120.56 0.219 . . . . 15.0 110.746 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 48.3 mm 62.4 102.62 0.04 OUTLIER Pre-proline 0 N--CA 1.468 0.43 0 CA-C-N 115.718 -0.673 . . . . 15.0 112.525 176.639 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 114' ' ' PRO . . . . . 0.831 ' HB2' ' HB ' ' A' ' 37' ' ' THR . 11.8 Cg_exo -70.63 131.47 20.06 Favored 'Trans proline' 0 CA--C 1.53 0.278 0 C-N-CA 123.004 2.47 . . . . 15.0 111.51 173.898 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 115' ' ' PRO . . . . . 0.467 ' HA ' ' HD2' ' B' ' 116' ' ' PRO . 50.6 Cg_exo -58.09 129.32 32.52 Favored 'Trans proline' 0 CA--C 1.531 0.343 0 C-N-CA 122.806 2.338 . . . . 15.0 112.988 173.877 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 116' ' ' PRO . . . . . 0.467 ' HD2' ' HA ' ' B' ' 115' ' ' PRO . 7.0 Cg_endo -49.15 -179.46 0.01 OUTLIER 'Trans proline' 0 N--CA 1.414 -3.162 0 C-N-CA 125.005 3.804 . . . . 15.0 114.579 167.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 117' ' ' TYR . . . . . 0.779 ' HE1' ' HG3' ' A' ' 35' ' ' LYS . 23.1 p90 -71.93 119.8 16.62 Favored 'General case' 1 C--N 1.24 -4.175 1 CA-C-N 106.002 -5.09 . . . . 15.0 110.274 -179.217 . . . . . . . . 4 3 . 1 . 017 nuclear build core ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 11.2 p -90.3 -8.29 10.67 Favored 'Isoleucine or valine' 0 C--O 1.234 0.273 0 CA-C-O 121.735 0.779 . . . . 15.0 109.595 178.894 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 . . . . . 0 C--N 1.323 -0.557 0 CA-C-N 114.828 -1.078 . . . . 15.0 110.268 -179.367 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.731 HD12 ' HG2' ' A' ' 42' ' ' PRO . 3.2 mm? . . . . . 0 C--O 1.233 0.192 0 N-CA-C 109.966 -0.383 . . . . 15.0 109.966 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.726 ' HB2' ' CD1' ' A' ' 17' ' ' TRP . 16.2 Cg_exo -49.26 150.9 7.05 Favored 'Trans proline' 0 CA--C 1.491 -1.635 0 C-N-CA 123.995 3.13 . . . . 15.0 115.434 176.861 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.78 135.7 55.24 Favored 'General case' 0 C--N 1.285 -2.208 0 CA-C-N 111.74 -2.482 . . . . 15.0 110.233 -172.413 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 79.14 -8.67 44.15 Favored Glycine 0 CA--C 1.522 0.495 0 CA-C-N 115.311 -0.859 . . . . 15.0 112.685 -173.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.726 ' CD1' ' HB2' ' A' ' 14' ' ' PRO . 53.5 m95 -89.87 115.96 27.58 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.283 -0.636 . . . . 15.0 109.283 175.03 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.526 ' O ' ' HA ' ' A' ' 29' ' ' PHE . 33.7 mm-40 -114.15 145.79 41.18 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-O 121.62 0.724 . . . . 15.0 112.234 -176.551 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.456 HG22 ' CD2' ' A' ' 29' ' ' PHE . 8.2 t -109.68 94.6 3.21 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.055 0 CA-C-N 114.231 -1.35 . . . . 15.0 109.72 -179.644 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.682 ' O ' ' HA ' ' A' ' 27' ' ' PRO . 13.5 ttm180 -107.76 146.33 32.31 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.161 -0.681 . . . . 15.0 109.161 177.299 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.476 ' CE1' ' HD3' ' A' ' 27' ' ' PRO . 1.2 t60 -111.7 116.5 30.85 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.852 -0.795 . . . . 15.0 108.852 -173.765 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.07 165.29 13.78 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 116.308 -0.406 . . . . 15.0 110.957 -178.76 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_exo -60.33 -22.96 73.0 Favored 'Trans proline' 0 C--N 1.35 0.611 0 C-N-CA 122.758 2.305 . . . . 15.0 113.291 -178.674 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 28.2 p30 -80.21 -10.15 59.75 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.781 0.8 . . . . 15.0 109.419 176.655 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 83.82 46.9 5.81 Favored Glycine 0 N--CA 1.433 -1.509 0 CA-C-N 114.553 -1.203 . . . . 15.0 112.294 -179.429 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 33.1 mmt180 -120.01 127.3 26.44 Favored Pre-proline 0 C--N 1.322 -0.627 0 N-CA-C 109.277 -0.638 . . . . 15.0 109.277 171.402 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.682 ' HA ' ' O ' ' A' ' 20' ' ' ARG . 97.9 Cg_endo -88.38 106.62 0.51 Allowed 'Trans proline' 0 N--CA 1.451 -0.977 0 C-N-CA 121.768 1.645 . . . . 15.0 111.913 176.799 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.618 ' H ' ' HD1' ' A' ' 28' ' ' PHE . 0.3 OUTLIER -92.34 122.61 34.96 Favored 'General case' 0 N--CA 1.438 -1.028 0 CA-C-N 113.65 -1.614 . . . . 15.0 108.471 176.877 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.526 ' HA ' ' O ' ' A' ' 18' ' ' GLU . 39.1 m-85 -89.7 113.46 24.97 Favored 'General case' 0 CA--C 1.504 -0.813 0 N-CA-C 109.141 -0.689 . . . . 15.0 109.141 -174.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.453 HG21 ' HB3' ' B' ' 117' ' ' TYR . 36.2 mt -93.59 126.2 46.05 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.14 0 CA-C-N 114.856 -1.066 . . . . 15.0 110.164 -178.068 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -90.07 105.83 18.07 Favored 'General case' 0 C--N 1.304 -1.409 0 N-CA-C 108.174 -1.047 . . . . 15.0 108.174 170.889 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.402 ' HD2' ' O ' ' A' ' 30' ' ' ILE . 13.7 m-70 -83.9 0.04 49.37 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 114.957 -1.02 . . . . 15.0 110.153 -173.711 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 23.4 m-80 -90.1 -72.83 0.55 Allowed 'General case' 0 C--O 1.233 0.184 0 CA-C-N 115.899 -0.591 . . . . 15.0 110.749 179.658 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.0 m -94.67 -2.52 51.1 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.13 0.49 . . . . 15.0 110.648 -173.741 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.8 mppt? 67.82 83.19 0.17 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.381 -0.827 . . . . 15.0 110.516 -176.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -136.29 150.26 48.82 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 114.553 -1.203 . . . . 15.0 108.639 179.366 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' THR . . . . . 1.031 ' HB ' ' HB2' ' B' ' 114' ' ' PRO . 4.3 p -140.04 127.03 20.83 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 120.94 0.4 . . . . 15.0 111.618 -176.237 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.401 ' OG1' ' HG3' ' A' ' 40' ' ' GLU . 9.2 t -150.07 150.17 31.34 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.081 -0.509 . . . . 15.0 109.973 -178.475 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 60.9 m95 -89.1 -11.74 43.14 Favored 'General case' 0 CA--C 1.514 -0.41 0 CA-C-O 120.902 0.382 . . . . 15.0 110.585 -178.831 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.401 ' HG3' ' OG1' ' A' ' 38' ' ' THR . 0.2 OUTLIER -104.8 160.09 15.27 Favored 'General case' 0 N--CA 1.441 -0.885 0 CA-C-O 121.456 0.646 . . . . 15.0 111.596 -171.055 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.726 ' HB3' ' HG3' ' A' ' 43' ' ' ARG . 6.4 m-20 -83.6 128.2 64.82 Favored Pre-proline 0 C--N 1.318 -0.767 0 CA-C-N 114.825 -1.079 . . . . 15.0 112.41 -167.064 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.731 ' HG2' HD12 ' A' ' 13' ' ' LEU . 34.9 Cg_endo -65.37 -9.74 23.37 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 123.128 2.552 . . . . 15.0 112.223 175.601 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.726 ' HG3' ' HB3' ' A' ' 41' ' ' ASP . 15.8 mtt180 -63.2 -14.68 51.91 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 116.207 -0.451 . . . . 15.0 110.514 -179.101 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 60.0 mt -79.81 -9.73 59.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.72 0.772 . . . . 15.0 111.255 -176.793 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 22.7 tptp . . . . . 0 C--N 1.308 -1.198 0 CA-C-N 114.892 -1.049 . . . . 15.0 110.082 -179.123 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 93.2 mt-30 . . . . . 0 N--CA 1.477 0.894 0 CA-C-O 120.788 0.328 . . . . 15.0 110.735 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 43.1 mm -117.61 113.04 38.59 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 116.044 -0.525 . . . . 15.0 109.604 178.126 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 114' ' ' PRO . . . . . 1.031 ' HB2' ' HB ' ' A' ' 37' ' ' THR . 3.0 Cg_exo -70.46 122.14 8.64 Favored 'Trans proline' 0 N--CA 1.458 -0.569 0 C-N-CA 121.956 1.771 . . . . 15.0 111.727 177.926 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 115' ' ' PRO . . . . . 0.571 ' HD2' ' CD2' ' A' ' 28' ' ' PHE . 97.1 Cg_endo -82.4 128.88 5.65 Favored 'Trans proline' 0 N--CA 1.462 -0.339 0 C-N-CA 122.648 2.232 . . . . 15.0 113.007 178.03 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 116' ' ' PRO . . . . . 0.498 ' HD2' ' HA ' ' B' ' 115' ' ' PRO . 6.4 Cg_endo -48.92 -179.71 0.01 OUTLIER 'Trans proline' 0 N--CA 1.414 -3.153 0 C-N-CA 125.054 3.836 . . . . 15.0 115.284 172.601 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 117' ' ' TYR . . . . . 0.453 ' HB3' HG21 ' A' ' 30' ' ' ILE . 31.4 p90 -63.82 135.73 56.84 Favored 'General case' 0 C--N 1.246 -3.922 1 CA-C-N 105.706 -5.224 . . . . 15.0 110.797 -176.056 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 42.6 t -100.29 -24.53 4.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 108.923 -0.769 . . . . 15.0 108.923 177.085 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 18.5 mp0 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 114.588 -1.187 . . . . 15.0 111.03 -176.479 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.9 mp . . . . . 0 C--O 1.235 0.302 0 CA-C-O 121.055 0.455 . . . . 15.0 111.696 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.731 ' HB2' ' CD1' ' A' ' 17' ' ' TRP . 13.4 Cg_exo -49.57 151.24 7.61 Favored 'Trans proline' 0 CA--C 1.495 -1.472 0 C-N-CA 124.564 3.51 . . . . 15.0 115.169 169.112 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.1 mptt -63.38 123.61 19.16 Favored 'General case' 0 C--N 1.287 -2.135 0 CA-C-N 111.522 -2.581 . . . . 15.0 110.732 -173.424 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 87.89 -3.85 85.82 Favored Glycine 0 C--O 1.227 -0.301 0 CA-C-N 115.387 -0.824 . . . . 15.0 112.578 -178.427 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.731 ' CD1' ' HB2' ' A' ' 14' ' ' PRO . 40.9 m95 -89.89 113.62 25.27 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.137 0.494 . . . . 15.0 109.873 176.711 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.639 ' O ' ' HA ' ' A' ' 29' ' ' PHE . 12.7 mm-40 -113.26 148.68 35.09 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.421 -0.809 . . . . 15.0 112.137 -175.208 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.534 HG22 ' CD2' ' A' ' 29' ' ' PHE . 5.6 t -118.35 109.38 26.92 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.061 0 CA-C-N 114.583 -1.19 . . . . 15.0 109.8 178.644 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.774 ' O ' ' HA ' ' A' ' 27' ' ' PRO . 33.2 ttm180 -127.15 149.96 49.72 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.964 -0.384 . . . . 15.0 109.964 176.5 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.603 ' CE1' ' HD3' ' A' ' 27' ' ' PRO . 0.1 OUTLIER -103.09 110.67 22.7 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 108.929 -0.767 . . . . 15.0 108.929 -175.618 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.01 159.06 58.8 Favored Pre-proline 0 C--N 1.321 -0.641 0 N-CA-C 110.001 -0.37 . . . . 15.0 110.001 177.305 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -56.45 -15.84 16.56 Favored 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 123.032 2.488 . . . . 15.0 114.191 -176.342 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 29.8 p-10 -80.18 -14.87 58.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.344 0.592 . . . . 15.0 109.734 177.535 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 97.52 29.37 7.87 Favored Glycine 0 N--CA 1.439 -1.163 0 CA-C-N 115.265 -0.88 . . . . 15.0 112.67 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.446 HH11 ' HD3' ' A' ' 26' ' ' ARG . 23.8 mmt180 -119.31 134.16 23.75 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 122.62 -0.341 . . . . 15.0 111.361 177.718 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.774 ' HA ' ' O ' ' A' ' 20' ' ' ARG . 82.0 Cg_endo -88.55 111.27 0.62 Allowed 'Trans proline' 0 N--CA 1.456 -0.686 0 C-N-CA 122.56 2.173 . . . . 15.0 111.806 175.302 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.534 ' H ' ' HD1' ' A' ' 28' ' ' PHE . 0.4 OUTLIER -96.05 122.26 38.69 Favored 'General case' 0 N--CA 1.437 -1.075 0 CA-C-N 113.931 -1.486 . . . . 15.0 108.784 177.295 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.639 ' HA ' ' O ' ' A' ' 18' ' ' GLU . 15.6 m-85 -89.62 109.39 20.35 Favored 'General case' 0 N--CA 1.44 -0.932 0 N-CA-C 108.674 -0.862 . . . . 15.0 108.674 -176.277 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.718 HG21 ' HB3' ' B' ' 117' ' ' TYR . 32.5 mt -93.82 130.26 43.02 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.083 0 CA-C-N 115.185 -0.916 . . . . 15.0 110.314 -176.369 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -90.02 102.69 15.4 Favored 'General case' 0 C--N 1.306 -1.294 0 N-CA-C 108.262 -1.014 . . . . 15.0 108.262 170.318 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.497 ' NE2' ' HB ' ' A' ' 30' ' ' ILE . 12.0 m170 -80.84 2.99 24.08 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.1 -0.955 . . . . 15.0 110.703 -173.077 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 30.5 m-80 -89.7 -61.77 1.62 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.231 -0.44 . . . . 15.0 110.249 177.061 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.2 m -94.26 3.66 54.93 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-N 116.042 -0.526 . . . . 15.0 111.07 -175.331 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.577 ' HG3' ' CE1' ' B' ' 117' ' ' TYR . 12.8 mptt 67.61 25.5 8.26 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 115.928 -0.578 . . . . 15.0 111.065 176.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 59.9 p -103.6 150.08 24.3 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.195 -0.457 . . . . 15.0 110.596 -175.508 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.521 ' HB ' ' HB2' ' B' ' 114' ' ' PRO . 1.2 p -127.57 148.66 50.35 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 112.355 0.502 . . . . 15.0 112.355 -176.5 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 9.0 t -150.21 150.13 31.15 Favored 'General case' 0 C--O 1.222 -0.368 0 CA-C-N 115.857 -0.611 . . . . 15.0 109.681 177.278 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.443 ' CZ2' ' HG3' ' B' ' 112' ' ' GLN . 81.8 m95 -88.55 -13.85 39.09 Favored 'General case' 0 CA--C 1.508 -0.655 0 CA-C-O 121.039 0.447 . . . . 15.0 110.547 178.826 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -104.49 157.42 17.17 Favored 'General case' 0 N--CA 1.436 -1.138 0 CA-C-O 121.458 0.647 . . . . 15.0 111.202 -169.697 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -79.49 136.18 56.29 Favored Pre-proline 0 C--N 1.317 -0.828 0 CA-C-N 115.01 -0.996 . . . . 15.0 111.809 -166.868 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_endo -64.97 -9.83 23.02 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.493 2.129 . . . . 15.0 111.857 175.452 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.463 ' HD3' ' HA ' ' A' ' 43' ' ' ARG . 29.4 mmt180 -80.37 -9.57 59.75 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.644 -0.707 . . . . 15.0 110.98 177.67 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 88.9 mt -74.28 -9.89 59.05 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-O 121.679 0.752 . . . . 15.0 110.617 176.71 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 9.2 mptt . . . . . 0 C--N 1.311 -1.073 0 CA-C-N 114.66 -1.154 . . . . 15.0 109.592 176.195 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 112' ' ' GLN . . . . . 0.443 ' HG3' ' CZ2' ' A' ' 39' ' ' TRP . 27.6 tp60 . . . . . 0 N--CA 1.477 0.882 0 N-CA-C 109.808 -0.441 . . . . 15.0 109.808 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 113' ' ' ILE . . . . . 0.853 ' H ' HD13 ' B' ' 113' ' ' ILE . 0.2 OUTLIER -76.76 128.49 81.6 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-N 116.265 -0.425 . . . . 15.0 111.001 179.521 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 114' ' ' PRO . . . . . 0.521 ' HB2' ' HB ' ' A' ' 37' ' ' THR . 57.4 Cg_endo -84.02 122.89 3.03 Favored 'Trans proline' 0 N--CA 1.458 -0.595 0 C-N-CA 122.753 2.302 . . . . 15.0 112.518 175.651 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 115' ' ' PRO . . . . . 0.448 ' HA ' ' HD2' ' B' ' 116' ' ' PRO . 51.5 Cg_exo -58.96 126.41 21.0 Favored 'Trans proline' 0 N--CA 1.475 0.422 0 C-N-CA 123.191 2.594 . . . . 15.0 113.555 175.464 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 116' ' ' PRO . . . . . 0.448 ' HD2' ' HA ' ' B' ' 115' ' ' PRO . 7.9 Cg_endo -49.47 -179.41 0.01 OUTLIER 'Trans proline' 0 N--CA 1.413 -3.222 0 C-N-CA 124.868 3.712 . . . . 15.0 114.602 165.483 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 117' ' ' TYR . . . . . 0.718 ' HB3' HG21 ' A' ' 30' ' ' ILE . 11.2 p90 -74.48 119.89 19.29 Favored 'General case' 1 C--N 1.242 -4.092 1 CA-C-N 106.153 -5.021 . . . . 15.0 109.951 179.927 . . . . . . . . 4 3 . 1 . 019 nuclear build core ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 8.9 t -90.5 -0.17 8.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 122.024 0.916 . . . . 15.0 109.14 178.853 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 119' ' ' GLU . . . . . 0.469 ' CD ' HH22 ' A' ' 20' ' ' ARG . 5.3 mm-40 . . . . . 0 C--N 1.324 -0.523 0 CA-C-N 114.619 -1.173 . . . . 15.0 110.57 -177.794 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.2 mp . . . . . 0 C--O 1.236 0.344 0 N-CA-C 110.464 -0.198 . . . . 15.0 110.464 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.737 ' HB2' ' CD1' ' A' ' 17' ' ' TRP . 7.3 Cg_exo -49.54 151.19 7.6 Favored 'Trans proline' 0 CA--C 1.492 -1.599 0 C-N-CA 123.939 3.093 . . . . 15.0 114.943 171.465 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 19.9 pttm -57.06 133.72 55.21 Favored 'General case' 0 C--N 1.289 -2.045 0 CA-C-N 111.489 -2.596 . . . . 15.0 110.941 -172.783 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 74.22 1.0 59.17 Favored Glycine 0 C--N 1.319 -0.41 0 CA-C-N 115.571 -0.74 . . . . 15.0 113.644 -179.717 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.737 ' CD1' ' HB2' ' A' ' 14' ' ' PRO . 49.1 m95 -89.89 114.58 26.39 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 117.571 0.686 . . . . 15.0 110.236 178.062 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.549 ' O ' ' HA ' ' A' ' 29' ' ' PHE . 2.8 mm-40 -113.86 149.98 34.27 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.275 -0.875 . . . . 15.0 112.096 -175.114 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.484 HG22 ' CD2' ' A' ' 29' ' ' PHE . 12.7 t -118.02 112.74 39.75 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.941 0 CA-C-N 114.489 -1.232 . . . . 15.0 109.574 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.723 ' O ' ' HA ' ' A' ' 27' ' ' PRO . 8.8 ttm180 -128.76 140.41 51.74 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 120.794 -0.362 . . . . 15.0 110.202 177.881 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.642 ' CE1' ' HD3' ' A' ' 27' ' ' PRO . 0.0 OUTLIER -89.97 114.84 26.74 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.324 -0.621 . . . . 15.0 109.324 175.918 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.47 163.66 56.73 Favored Pre-proline 0 C--N 1.322 -0.595 0 N-CA-C 109.462 -0.57 . . . . 15.0 109.462 175.877 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_exo -57.63 -13.1 13.0 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.766 2.311 . . . . 15.0 113.598 -178.317 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 35.0 p-10 -80.56 -18.16 49.21 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-O 121.198 0.523 . . . . 15.0 110.041 -179.413 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 104.33 10.92 32.72 Favored Glycine 0 N--CA 1.441 -0.996 0 C-N-CA 120.75 -0.738 . . . . 15.0 112.872 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 10.7 mmm180 -111.5 141.56 24.78 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-O 120.84 0.353 . . . . 15.0 111.497 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.723 ' HA ' ' O ' ' A' ' 20' ' ' ARG . 81.3 Cg_endo -88.66 120.11 1.15 Allowed 'Trans proline' 0 N--CA 1.454 -0.798 0 C-N-CA 122.544 2.162 . . . . 15.0 111.585 171.154 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.478 ' H ' ' HD1' ' A' ' 28' ' ' PHE . 0.3 OUTLIER -105.38 122.88 46.89 Favored 'General case' 0 C--N 1.313 -0.998 0 CA-C-N 114.195 -1.366 . . . . 15.0 108.383 176.284 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.549 ' HA ' ' O ' ' A' ' 18' ' ' GLU . 4.0 m-85 -89.86 118.68 29.62 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.606 -0.725 . . . . 15.0 109.386 -174.463 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.693 HG21 ' HB3' ' B' ' 117' ' ' TYR . 22.0 mt -102.9 133.91 45.39 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.905 0 CA-C-N 115.396 -0.82 . . . . 15.0 111.02 -176.052 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -89.92 109.85 20.84 Favored 'General case' 0 C--N 1.31 -1.116 0 N-CA-C 108.002 -1.111 . . . . 15.0 108.002 169.238 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.465 ' NE2' ' HB ' ' A' ' 30' ' ' ILE . 11.9 m170 -89.27 6.57 39.72 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.826 -0.625 . . . . 15.0 110.706 -174.302 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 28.2 m-80 -90.06 -61.0 1.78 Allowed 'General case' 0 N--CA 1.462 0.173 0 CA-C-O 120.998 0.427 . . . . 15.0 110.853 179.433 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 21.5 m -107.13 -8.55 16.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.506 0.669 . . . . 15.0 110.332 -176.216 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.534 ' NZ ' ' HB3' ' A' ' 35' ' ' LYS . 0.0 OUTLIER 72.46 82.84 0.13 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 114.864 -1.062 . . . . 15.0 110.446 179.422 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 7.6 p -141.87 150.11 41.13 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.789 -1.096 . . . . 15.0 108.622 173.896 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.929 ' HB ' ' HB2' ' B' ' 114' ' ' PRO . 3.5 p -130.55 138.37 50.15 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.171 0.51 . . . . 15.0 112.359 -173.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 7.0 t -150.11 147.0 27.24 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 115.672 -0.695 . . . . 15.0 109.228 179.111 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 31.4 m95 -88.76 -28.69 20.33 Favored 'General case' 0 CA--C 1.508 -0.656 0 CA-C-O 121.73 0.776 . . . . 15.0 110.241 -179.249 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.468 ' CD ' ' H ' ' A' ' 40' ' ' GLU . 2.3 pm0 -84.64 126.83 33.7 Favored 'General case' 0 C--N 1.31 -1.122 0 CA-C-N 114.162 -1.381 . . . . 15.0 110.701 -173.487 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -52.03 133.27 39.93 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 114.234 -1.348 . . . . 15.0 111.531 -174.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_endo -63.93 -11.52 27.5 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.795 2.33 . . . . 15.0 112.69 179.506 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 39.1 mmt180 -80.02 -9.91 59.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.317 -0.401 . . . . 15.0 110.91 178.161 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 90.6 mt -76.68 -9.73 58.87 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.412 0.625 . . . . 15.0 111.54 -178.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 56.3 tttm . . . . . 0 C--N 1.309 -1.173 0 CA-C-N 115.245 -0.889 . . . . 15.0 110.147 -178.383 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 10.6 tp60 . . . . . 0 N--CA 1.478 0.938 0 N-CA-C 109.711 -0.477 . . . . 15.0 109.711 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 70.2 mt -81.19 112.13 30.36 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 116.618 -0.265 . . . . 15.0 110.471 178.443 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 114' ' ' PRO . . . . . 0.929 ' HB2' ' HB ' ' A' ' 37' ' ' THR . 6.3 Cg_exo -72.13 129.48 15.18 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 122.196 1.931 . . . . 15.0 112.321 177.481 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 115' ' ' PRO . . . . . 0.475 ' HA ' ' HD2' ' B' ' 116' ' ' PRO . 53.2 Cg_exo -57.36 130.21 38.05 Favored 'Trans proline' 0 CA--C 1.53 0.306 0 C-N-CA 122.907 2.405 . . . . 15.0 113.046 173.301 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 116' ' ' PRO . . . . . 0.475 ' HD2' ' HA ' ' B' ' 115' ' ' PRO . 6.6 Cg_endo -48.92 -179.47 0.01 OUTLIER 'Trans proline' 0 N--CA 1.415 -3.137 0 C-N-CA 124.764 3.643 . . . . 15.0 114.835 167.6 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 117' ' ' TYR . . . . . 0.693 ' HB3' HG21 ' A' ' 30' ' ' ILE . 30.8 p90 -71.32 148.37 47.15 Favored 'General case' 0 C--N 1.244 -3.987 1 CA-C-N 105.997 -5.092 . . . . 15.0 110.558 -177.66 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 39.2 t -110.74 -28.18 2.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-O 121.594 0.711 . . . . 15.0 109.289 175.287 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 . . . . . 0 C--N 1.326 -0.428 0 CA-C-N 114.935 -1.029 . . . . 15.0 110.359 -179.664 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 52.5 p90 . . . . . 0 N--CA 1.485 1.276 0 CA-C-O 121.006 0.431 . . . . 15.0 111.062 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.93 HD11 HG23 ' A' ' 19' ' ' VAL . 81.9 mt -108.51 150.64 40.93 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 116.019 -0.537 . . . . 15.0 111.413 -177.09 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.765 ' HB2' ' CD1' ' A' ' 17' ' ' TRP . 1.3 Cg_exo -49.57 151.12 7.77 Favored 'Trans proline' 0 CA--C 1.495 -1.473 0 C-N-CA 123.675 2.917 . . . . 15.0 113.988 160.023 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -61.04 121.17 11.77 Favored 'General case' 0 C--N 1.284 -2.272 0 CA-C-N 111.582 -2.554 . . . . 15.0 110.495 -171.183 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.18 10.94 77.03 Favored Glycine 0 N--CA 1.452 -0.264 0 CA-C-N 115.82 -0.627 . . . . 15.0 112.788 179.436 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.765 ' CD1' ' HB2' ' A' ' 14' ' ' PRO . 37.0 m95 -96.24 139.98 31.59 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.212 0.529 . . . . 15.0 111.111 178.29 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.664 ' O ' ' HA ' ' A' ' 29' ' ' PHE . 0.9 OUTLIER -122.31 150.28 42.58 Favored 'General case' 0 CA--C 1.504 -0.794 0 CA-C-N 115.332 -0.849 . . . . 15.0 111.643 -178.233 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.93 HG23 HD11 ' A' ' 13' ' ' LEU . 33.9 t -122.72 90.09 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.487 0 CA-C-N 113.881 -1.508 . . . . 15.0 108.05 170.017 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.753 ' O ' ' HA ' ' A' ' 27' ' ' PRO . 19.9 ttm180 -115.01 141.3 48.19 Favored 'General case' 0 C--N 1.319 -0.735 0 C-N-CA 120.603 -0.439 . . . . 15.0 110.326 -176.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.583 ' CE1' ' HD3' ' A' ' 27' ' ' PRO . 0.2 OUTLIER -98.0 113.54 25.42 Favored 'General case' 0 C--N 1.315 -0.907 0 N-CA-C 108.512 -0.922 . . . . 15.0 108.512 -178.582 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.409 ' HB3' ' OD1' ' A' ' 24' ' ' ASN . . . -66.95 162.24 55.1 Favored Pre-proline 0 C--N 1.322 -0.621 0 N-CA-C 109.465 -0.568 . . . . 15.0 109.465 177.129 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -59.28 -11.42 13.22 Favored 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 122.727 2.285 . . . . 15.0 113.368 -178.448 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.409 ' OD1' ' HB3' ' A' ' 22' ' ' ALA . 16.6 p30 -80.54 -11.42 59.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.431 0.634 . . . . 15.0 109.847 175.705 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 88.36 28.06 23.49 Favored Glycine 0 N--CA 1.438 -1.176 0 CA-C-N 115.177 -0.92 . . . . 15.0 112.658 179.705 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -121.06 133.86 24.25 Favored Pre-proline 0 C--N 1.321 -0.638 0 O-C-N 122.669 -0.312 . . . . 15.0 110.377 178.767 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.753 ' HA ' ' O ' ' A' ' 20' ' ' ARG . 83.3 Cg_endo -88.81 112.64 0.63 Allowed 'Trans proline' 0 N--CA 1.456 -0.68 0 C-N-CA 122.295 1.997 . . . . 15.0 112.154 176.559 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.534 ' H ' ' HD1' ' A' ' 28' ' ' PHE . 0.5 OUTLIER -100.36 125.21 46.58 Favored 'General case' 0 N--CA 1.442 -0.871 0 CA-C-N 113.795 -1.548 . . . . 15.0 108.932 177.451 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.664 ' HA ' ' O ' ' A' ' 18' ' ' GLU . 9.0 m-85 -89.94 115.22 27.08 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.828 -0.624 . . . . 15.0 109.858 -174.609 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.92 HG21 ' HB3' ' B' ' 117' ' ' TYR . 18.7 mt -97.59 137.72 24.43 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-N 115.71 -0.677 . . . . 15.0 111.075 -177.159 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.412 ' HB3' ' OG1' ' A' ' 36' ' ' THR . 8.4 t70 -100.52 106.22 17.73 Favored 'General case' 0 C--N 1.311 -1.079 0 N-CA-C 108.494 -0.928 . . . . 15.0 108.494 168.345 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.413 ' CE1' ' HB2' ' B' ' 117' ' ' TYR . 12.1 m170 -81.68 0.99 36.24 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 114.81 -1.086 . . . . 15.0 111.181 -171.047 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 26.5 m-80 -90.12 -60.18 2.0 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.973 -0.558 . . . . 15.0 110.787 -179.636 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.8 m -101.29 16.05 26.81 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.342 -0.39 . . . . 15.0 111.424 -173.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.878 ' HD3' ' HE1' ' B' ' 117' ' ' TYR . 70.0 mmtt 66.24 21.38 11.06 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 116.204 -0.453 . . . . 15.0 111.292 175.607 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.412 ' OG1' ' HB3' ' A' ' 31' ' ' ASP . 47.1 p -97.86 150.16 21.59 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.781 -0.367 . . . . 15.0 110.644 -173.599 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.718 ' HB ' ' HG2' ' B' ' 114' ' ' PRO . 4.2 p -133.23 142.46 48.58 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.665 0.269 . . . . 15.0 111.094 179.63 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.683 ' OG1' ' HG3' ' A' ' 40' ' ' GLU . 8.8 t -150.11 150.28 31.46 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.418 -0.356 . . . . 15.0 110.823 -178.465 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 62.5 m95 -89.4 -10.68 45.62 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.097 0.475 . . . . 15.0 110.381 179.322 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.683 ' HG3' ' OG1' ' A' ' 38' ' ' THR . 2.6 pp20? -95.04 159.04 15.2 Favored 'General case' 0 N--CA 1.443 -0.812 0 CA-C-N 115.731 -0.668 . . . . 15.0 109.969 -174.752 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.451 ' HA ' ' HD2' ' A' ' 42' ' ' PRO . 38.8 t0 -114.98 118.69 40.21 Favored Pre-proline 0 C--N 1.32 -0.687 0 CA-C-N 116.118 -0.492 . . . . 15.0 111.552 -169.001 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.451 ' HD2' ' HA ' ' A' ' 41' ' ' ASP . 28.0 Cg_endo -63.14 -17.64 61.16 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 123.341 2.694 . . . . 15.0 112.216 176.794 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.414 ' HB3' ' OD2' ' A' ' 41' ' ' ASP . 26.0 ttp180 -77.42 -24.5 50.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.908 -0.587 . . . . 15.0 110.926 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 84.4 mt -77.35 -9.85 59.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.532 0.682 . . . . 15.0 111.348 -177.688 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.307 -1.254 0 CA-C-N 114.926 -1.034 . . . . 15.0 108.847 179.236 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 . . . . . 0 N--CA 1.481 1.086 0 N-CA-C 109.757 -0.461 . . . . 15.0 109.757 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 113' ' ' ILE . . . . . 0.728 ' H ' HD13 ' B' ' 113' ' ' ILE . 0.2 OUTLIER -107.07 125.03 33.51 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 120.918 0.39 . . . . 15.0 111.952 -172.905 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 114' ' ' PRO . . . . . 0.718 ' HG2' ' HB ' ' A' ' 37' ' ' THR . 50.5 Cg_endo -84.06 128.81 4.44 Favored 'Trans proline' 0 N--CA 1.458 -0.569 0 C-N-CA 122.785 2.323 . . . . 15.0 112.274 175.637 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 115' ' ' PRO . . . . . 0.448 ' HA ' ' HD2' ' B' ' 116' ' ' PRO . 52.4 Cg_exo -55.49 127.36 25.88 Favored 'Trans proline' 0 N--CA 1.477 0.514 0 C-N-CA 123.053 2.502 . . . . 15.0 113.912 176.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 116' ' ' PRO . . . . . 0.448 ' HD2' ' HA ' ' B' ' 115' ' ' PRO . 7.9 Cg_endo -49.67 -179.58 0.02 OUTLIER 'Trans proline' 0 N--CA 1.416 -3.068 0 C-N-CA 125.017 3.811 . . . . 15.0 115.076 167.124 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 117' ' ' TYR . . . . . 0.92 ' HB3' HG21 ' A' ' 30' ' ' ILE . 3.0 p90 -93.1 139.42 30.59 Favored 'General case' 1 C--N 1.243 -4.031 1 CA-C-N 105.807 -5.179 . . . . 15.0 110.421 -178.969 . . . . . . . . 4 3 . 1 . 001 nuclear build full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 45.7 t -106.03 -43.82 7.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 121.658 0.742 . . . . 15.0 109.049 172.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 119' ' ' GLU . . . . . 0.521 ' H ' ' CD ' ' B' ' 119' ' ' GLU . 1.5 pm0 -89.98 127.4 53.89 Favored Pre-proline 0 C--N 1.321 -0.652 0 CA-C-N 114.765 -1.107 . . . . 15.0 110.561 178.433 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 120' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--O 1.25 1.079 0 C-N-CA 123.136 2.557 . . . . 15.0 112.526 -177.262 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.826 ' HE2' ' HD3' ' A' ' 43' ' ' ARG . 49.8 t80 . . . . . 0 N--CA 1.481 1.085 0 CA-C-O 121.419 0.628 . . . . 15.0 110.239 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.431 HD13 ' HA ' ' A' ' 13' ' ' LEU . 3.9 mm? -116.32 138.83 24.62 Favored Pre-proline 0 C--N 1.32 -0.708 0 CA-C-N 115.619 -0.719 . . . . 15.0 110.949 -176.891 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.751 ' HB2' ' CD1' ' A' ' 17' ' ' TRP . 5.7 Cg_exo -49.8 151.44 8.11 Favored 'Trans proline' 0 CA--C 1.498 -1.288 0 C-N-CA 124.522 3.481 . . . . 15.0 115.27 171.306 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 53.7 tttm -52.51 120.42 5.59 Favored 'General case' 0 C--N 1.296 -1.74 0 CA-C-N 111.355 -2.657 . . . . 15.0 111.47 -173.506 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 82.31 3.32 90.59 Favored Glycine 0 N--CA 1.45 -0.401 0 CA-C-N 115.948 -0.569 . . . . 15.0 112.922 176.374 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.751 ' CD1' ' HB2' ' A' ' 14' ' ' PRO . 45.6 m95 -90.05 122.49 33.09 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.411 0.624 . . . . 15.0 110.454 177.616 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.729 ' O ' ' HA ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -106.76 150.34 26.4 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 115.188 -0.914 . . . . 15.0 110.708 -178.992 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.542 HG22 ' CD2' ' A' ' 29' ' ' PHE . 13.9 t -132.21 89.94 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.486 0 CA-C-N 114.575 -1.193 . . . . 15.0 108.956 176.725 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.706 ' O ' ' HA ' ' A' ' 27' ' ' PRO . 15.7 ttm180 -117.58 147.28 42.98 Favored 'General case' 0 C--N 1.316 -0.886 0 C-N-CA 120.455 -0.498 . . . . 15.0 110.086 -177.314 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.569 ' CE1' ' HD3' ' A' ' 27' ' ' PRO . 0.3 OUTLIER -104.76 109.79 21.88 Favored 'General case' 0 C--N 1.31 -1.136 0 N-CA-C 108.15 -1.056 . . . . 15.0 108.15 -173.974 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.08 163.67 22.47 Favored Pre-proline 0 C--N 1.323 -0.582 0 O-C-N 123.284 0.365 . . . . 15.0 110.25 -179.218 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_exo -58.14 -15.13 21.85 Favored 'Trans proline' 0 C--N 1.35 0.637 0 C-N-CA 122.684 2.256 . . . . 15.0 113.47 -178.723 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 19.5 p30 -80.43 -10.07 59.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.346 0.593 . . . . 15.0 109.693 176.504 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 86.78 27.83 28.1 Favored Glycine 0 N--CA 1.439 -1.156 0 CA-C-N 115.21 -0.905 . . . . 15.0 112.704 178.68 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -117.78 134.37 23.25 Favored Pre-proline 0 C--N 1.326 -0.452 0 N-CA-C 110.082 -0.34 . . . . 15.0 110.082 177.705 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.706 ' HA ' ' O ' ' A' ' 20' ' ' ARG . 98.9 Cg_endo -88.81 117.83 0.91 Allowed 'Trans proline' 0 N--CA 1.456 -0.705 0 C-N-CA 122.451 2.1 . . . . 15.0 112.208 176.365 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.453 ' CE2' HD11 ' A' ' 30' ' ' ILE . 1.1 p90 -104.61 121.76 44.21 Favored 'General case' 0 N--CA 1.437 -1.106 0 CA-C-N 114.155 -1.384 . . . . 15.0 108.924 177.738 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.729 ' HA ' ' O ' ' A' ' 18' ' ' GLU . 6.6 m-85 -89.71 118.33 29.24 Favored 'General case' 0 N--CA 1.442 -0.87 0 CA-C-N 115.576 -0.738 . . . . 15.0 109.345 -176.648 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.895 HG21 ' HB3' ' B' ' 117' ' ' TYR . 14.3 mt -105.1 136.74 37.6 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.937 0 CA-C-N 115.833 -0.622 . . . . 15.0 110.794 -177.88 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.546 ' HB3' ' HB ' ' A' ' 36' ' ' THR . 0.4 OUTLIER -89.99 109.76 20.78 Favored 'General case' 0 C--N 1.309 -1.191 0 CA-C-N 114.891 -1.05 . . . . 15.0 108.596 169.821 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.571 ' NE2' ' HB ' ' A' ' 30' ' ' ILE . 13.0 m170 -93.31 1.89 56.8 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.024 -0.989 . . . . 15.0 110.753 -173.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 13.3 m-80 -84.6 -22.74 29.89 Favored 'General case' 0 CA--C 1.516 -0.351 0 N-CA-C 109.416 -0.587 . . . . 15.0 109.416 177.34 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.767 HG22 ' HG3' ' A' ' 35' ' ' LYS . 24.8 m -135.54 -79.08 0.43 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.743 -0.662 . . . . 15.0 111.064 179.125 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.767 ' HG3' HG22 ' A' ' 34' ' ' THR . 0.0 OUTLIER 173.99 24.45 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 111.621 0.23 . . . . 15.0 111.621 -178.148 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.546 ' HB ' ' HB3' ' A' ' 31' ' ' ASP . 1.0 OUTLIER -89.83 150.44 22.24 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 120.517 -0.473 . . . . 15.0 110.426 -168.134 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 37' ' ' THR . . . . . 1.026 ' HB ' ' HB2' ' B' ' 114' ' ' PRO . 16.9 p -139.39 132.9 30.3 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.089 0.471 . . . . 15.0 111.709 -177.252 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.548 ' OG1' ' HG3' ' A' ' 40' ' ' GLU . 8.1 t -150.08 150.0 31.09 Favored 'General case' 0 C--O 1.221 -0.433 0 CA-C-N 116.034 -0.53 . . . . 15.0 110.198 -179.69 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 64.4 m95 -91.89 -14.19 30.04 Favored 'General case' 0 CA--C 1.511 -0.524 0 CA-C-O 121.441 0.639 . . . . 15.0 110.345 177.609 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.548 ' HG3' ' OG1' ' A' ' 38' ' ' THR . 0.3 OUTLIER -94.25 157.88 15.85 Favored 'General case' 0 N--CA 1.437 -1.125 0 CA-C-N 115.622 -0.717 . . . . 15.0 110.503 -173.424 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.674 ' OD1' ' HB3' ' A' ' 43' ' ' ARG . 10.0 t0 -98.49 128.99 31.36 Favored Pre-proline 0 C--N 1.316 -0.882 0 CA-C-N 115.609 -0.723 . . . . 15.0 111.233 -163.467 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -66.88 -12.75 37.27 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 123.001 2.467 . . . . 15.0 112.612 178.571 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.826 ' HD3' ' HE2' ' A' ' 12' ' ' PHE . 9.9 ttp180 -79.46 -14.91 58.59 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.806 0.812 . . . . 15.0 110.051 175.878 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 85.8 mt -78.65 -9.47 59.4 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.183 -0.917 . . . . 15.0 110.146 174.461 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt . . . . . 0 C--O 1.249 1.031 0 CA-C-N 114.667 -1.152 . . . . 15.0 109.724 178.011 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.48 1.041 0 N-CA-C 110.101 -0.333 . . . . 15.0 110.101 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 113' ' ' ILE . . . . . 0.417 ' H ' HG13 ' B' ' 113' ' ' ILE . 56.4 mt -45.9 118.32 4.28 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.073 0.858 . . . . 15.0 111.859 179.246 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 114' ' ' PRO . . . . . 1.026 ' HB2' ' HB ' ' A' ' 37' ' ' THR . 23.8 Cg_exo -62.96 132.87 38.75 Favored 'Trans proline' 0 CA--C 1.533 0.427 0 C-N-CA 122.648 2.232 . . . . 15.0 111.901 176.361 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 115' ' ' PRO . . . . . 0.415 ' HA ' ' HD2' ' B' ' 116' ' ' PRO . 39.1 Cg_exo -58.12 123.71 14.27 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.707 2.271 . . . . 15.0 113.074 175.03 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 116' ' ' PRO . . . . . 0.415 ' HD2' ' HA ' ' B' ' 115' ' ' PRO . 6.5 Cg_endo -48.86 -179.53 0.01 OUTLIER 'Trans proline' 0 N--CA 1.416 -3.072 0 C-N-CA 125.182 3.921 . . . . 15.0 114.602 167.853 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 117' ' ' TYR . . . . . 0.895 ' HB3' HG21 ' A' ' 30' ' ' ILE . 8.1 p90 -93.68 123.49 37.05 Favored 'General case' 1 C--N 1.239 -4.207 1 CA-C-N 105.964 -5.107 . . . . 15.0 110.149 -178.742 . . . . . . . . 4 3 . 1 . 002 nuclear build full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 27.6 m -98.31 -0.97 10.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.726 0.774 . . . . 15.0 109.475 173.601 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 119' ' ' GLU . . . . . 0.481 ' HA ' ' HD3' ' B' ' 120' ' ' PRO . 5.6 pt-20 -139.52 125.6 12.15 Favored Pre-proline 0 C--N 1.321 -0.637 0 CA-C-N 114.564 -1.198 . . . . 15.0 110.087 -177.867 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 120' ' ' PRO . . . . . 0.481 ' HD3' ' HA ' ' B' ' 119' ' ' GLU . 13.5 Cg_exo . . . . . 0 C--O 1.247 0.947 0 C-N-CA 123.035 2.49 . . . . 15.0 112.232 -178.796 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 17.8 p90 . . . . . 0 N--CA 1.481 1.082 0 CA-C-O 121.366 0.603 . . . . 15.0 110.505 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.664 HD12 ' HG2' ' A' ' 42' ' ' PRO . 3.3 mm? -120.19 153.2 55.49 Favored Pre-proline 0 C--N 1.322 -0.623 0 CA-C-N 115.648 -0.706 . . . . 15.0 109.784 178.002 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.756 ' HB2' ' CD1' ' A' ' 17' ' ' TRP . 13.0 Cg_exo -49.87 151.3 8.47 Favored 'Trans proline' 0 CA--C 1.491 -1.667 0 C-N-CA 123.737 2.958 . . . . 15.0 114.697 170.151 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.454 ' HD3' ' HA ' ' A' ' 15' ' ' LYS . 27.4 mmtp -67.5 128.21 35.58 Favored 'General case' 0 C--N 1.283 -2.307 0 CA-C-N 112.01 -2.359 . . . . 15.0 111.225 -171.766 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.16 -4.53 85.39 Favored Glycine 0 C--O 1.225 -0.441 0 CA-C-N 114.903 -1.044 . . . . 15.0 112.216 -174.617 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.756 ' CD1' ' HB2' ' A' ' 14' ' ' PRO . 40.3 m95 -89.75 123.89 34.15 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.007 0.432 . . . . 15.0 109.861 176.025 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.449 ' O ' ' HA ' ' A' ' 29' ' ' PHE . 23.2 mt-10 -124.17 140.9 52.52 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-O 121.973 0.892 . . . . 15.0 112.261 -176.094 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.512 HG22 ' CD2' ' A' ' 29' ' ' PHE . 9.9 t -111.2 100.59 11.08 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.553 0 CA-C-N 113.851 -1.522 . . . . 15.0 109.654 -179.491 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.659 ' O ' ' HA ' ' A' ' 27' ' ' PRO . 0.1 OUTLIER -117.51 145.4 44.24 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.675 -0.491 . . . . 15.0 109.675 179.351 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.61 ' CE1' ' HD3' ' A' ' 27' ' ' PRO . 1.0 OUTLIER -90.02 113.25 24.9 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.173 -0.677 . . . . 15.0 109.173 176.084 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.24 164.86 55.91 Favored Pre-proline 0 C--N 1.32 -0.706 0 CA-C-N 116.231 -0.441 . . . . 15.0 110.01 177.132 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -56.3 -9.8 3.96 Favored 'Trans proline' 0 C--N 1.35 0.65 0 C-N-CA 123.248 2.632 . . . . 15.0 113.192 177.696 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 62.8 t30 -80.02 -9.99 59.74 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.667 -0.864 . . . . 15.0 108.667 178.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 83.87 33.09 22.27 Favored Glycine 0 N--CA 1.44 -1.07 0 CA-C-N 114.914 -1.039 . . . . 15.0 111.655 179.647 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.436 ' O ' ' HA ' ' A' ' 21' ' ' HIS . 29.4 mmt180 -140.59 146.51 45.12 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-O 120.598 0.237 . . . . 15.0 110.739 -173.693 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.659 ' HA ' ' O ' ' A' ' 20' ' ' ARG . 84.0 Cg_endo -88.29 112.61 0.72 Allowed 'Trans proline' 0 N--CA 1.46 -0.474 0 C-N-CA 122.754 2.303 . . . . 15.0 111.994 174.874 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.603 ' H ' ' HD1' ' A' ' 28' ' ' PHE . 0.4 OUTLIER -99.8 124.39 45.03 Favored 'General case' 0 N--CA 1.438 -1.032 0 CA-C-N 114.484 -1.234 . . . . 15.0 108.062 174.179 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.512 ' CD2' HG22 ' A' ' 19' ' ' VAL . 5.7 m-85 -89.74 113.53 25.06 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.422 -0.808 . . . . 15.0 109.096 -174.636 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.676 HG21 ' HB3' ' B' ' 117' ' ' TYR . 20.4 mt -98.65 130.65 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.3 0 CA-C-N 115.243 -0.889 . . . . 15.0 111.002 -177.802 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -90.35 103.32 16.01 Favored 'General case' 0 C--N 1.304 -1.39 0 CA-C-N 114.628 -1.169 . . . . 15.0 108.364 168.338 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.468 ' CD2' ' HB ' ' A' ' 30' ' ' ILE . 12.3 m-70 -81.24 1.77 30.84 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 114.792 -1.095 . . . . 15.0 110.828 -173.706 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 26.5 m-80 -89.11 -46.81 8.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 15.0 110.879 179.407 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -115.55 10.02 15.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.416 -0.357 . . . . 15.0 111.944 -173.636 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.516 ' HD3' ' CE2' ' B' ' 117' ' ' TYR . 0.0 OUTLIER 70.64 18.91 6.26 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 121.161 0.505 . . . . 15.0 110.742 176.513 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 69.7 p -97.97 150.28 21.53 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 121.976 -0.453 . . . . 15.0 110.73 -173.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.714 ' HB ' ' HB2' ' B' ' 114' ' ' PRO . 1.6 p -125.28 150.25 47.27 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.192 0.52 . . . . 15.0 112.124 -178.691 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 53.7 m -147.88 148.18 30.55 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.603 -0.726 . . . . 15.0 110.003 -176.738 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 93.2 m95 -90.69 -35.87 14.67 Favored 'General case' 0 CA--C 1.504 -0.825 0 CA-C-O 121.818 0.818 . . . . 15.0 110.578 177.229 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -88.08 160.9 17.61 Favored 'General case' 0 N--CA 1.431 -1.424 0 CA-C-N 114.411 -1.268 . . . . 15.0 110.888 -170.207 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.636 ' OD1' ' HB3' ' A' ' 43' ' ' ARG . 10.1 t70 -92.21 122.73 64.29 Favored Pre-proline 0 C--N 1.316 -0.863 0 CA-C-N 115.477 -0.783 . . . . 15.0 111.031 -163.665 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.664 ' HG2' HD12 ' A' ' 13' ' ' LEU . 38.5 Cg_endo -67.71 -12.38 35.31 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 123.041 2.494 . . . . 15.0 113.475 -176.494 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.636 ' HB3' ' OD1' ' A' ' 41' ' ' ASP . 0.6 OUTLIER -78.18 -20.19 52.42 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.717 0.77 . . . . 15.0 109.647 176.495 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 90.8 mt -74.83 -9.66 58.76 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 114.948 -1.024 . . . . 15.0 111.169 178.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 62.2 mttm . . . . . 0 C--O 1.251 1.172 0 CA-C-N 114.848 -1.069 . . . . 15.0 110.256 -179.841 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 . . . . . 0 N--CA 1.482 1.144 0 N-CA-C 110.262 -0.273 . . . . 15.0 110.262 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 113' ' ' ILE . . . . . 0.569 HD12 ' HD2' ' B' ' 114' ' ' PRO . 6.8 tp -153.95 120.13 2.82 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-N 116.516 -0.311 . . . . 15.0 110.667 -179.381 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 114' ' ' PRO . . . . . 0.714 ' HB2' ' HB ' ' A' ' 37' ' ' THR . 35.8 Cg_endo -87.8 119.69 1.33 Allowed 'Trans proline' 0 N--CA 1.453 -0.889 0 C-N-CA 122.272 1.982 . . . . 15.0 112.155 173.518 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 115' ' ' PRO . . . . . 0.475 ' HA ' ' HD2' ' B' ' 116' ' ' PRO . 36.9 Cg_exo -64.51 127.8 19.78 Favored 'Trans proline' 0 N--CA 1.475 0.411 0 C-N-CA 123.111 2.541 . . . . 15.0 113.245 174.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 116' ' ' PRO . . . . . 0.475 ' HD2' ' HA ' ' B' ' 115' ' ' PRO . 6.7 Cg_endo -48.94 -179.58 0.01 OUTLIER 'Trans proline' 0 N--CA 1.414 -3.165 0 C-N-CA 124.723 3.616 . . . . 15.0 114.746 169.38 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 117' ' ' TYR . . . . . 0.676 ' HB3' HG21 ' A' ' 30' ' ' ILE . 1.9 p90 -76.96 119.75 21.13 Favored 'General case' 1 C--N 1.239 -4.229 1 CA-C-N 106.221 -4.991 . . . . 15.0 110.408 -177.471 . . . . . . . . 4 3 . 1 . 003 nuclear build full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 11.2 p -100.68 -16.49 7.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 108.159 -1.052 . . . . 15.0 108.159 169.109 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 119' ' ' GLU . . . . . 0.466 ' O ' ' HD1' ' B' ' 117' ' ' TYR . 1.3 mm-40 -95.48 120.08 64.27 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-N 114.177 -1.374 . . . . 15.0 109.09 178.635 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 120' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' B' ' 119' ' ' GLU . 16.9 Cg_exo . . . . . 0 C--O 1.252 1.193 0 C-N-CA 122.298 1.998 . . . . 15.0 111.917 179.187 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 20.8 p90 . . . . . 0 N--CA 1.482 1.149 0 CA-C-O 121.216 0.532 . . . . 15.0 110.561 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.68 HD12 ' HG2' ' A' ' 42' ' ' PRO . 3.2 mm? -120.17 164.0 25.09 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-N 116.131 -0.486 . . . . 15.0 110.771 -177.523 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.685 ' HB2' ' CD1' ' A' ' 17' ' ' TRP . 4.1 Cg_exo -49.38 151.26 7.04 Favored 'Trans proline' 0 CA--C 1.494 -1.494 0 C-N-CA 124.053 3.169 . . . . 15.0 115.211 167.751 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 20.7 pttp -60.32 140.41 57.12 Favored 'General case' 0 C--N 1.288 -2.069 0 CA-C-N 111.626 -2.534 . . . . 15.0 110.422 -173.819 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 75.57 -8.24 21.13 Favored Glycine 0 C--N 1.318 -0.453 0 CA-C-N 115.524 -0.762 . . . . 15.0 113.094 -176.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.685 ' CD1' ' HB2' ' A' ' 14' ' ' PRO . 62.1 m95 -89.84 112.65 24.05 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 117.476 0.638 . . . . 15.0 109.882 177.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.516 ' O ' ' HA ' ' A' ' 29' ' ' PHE . 41.8 mm-40 -108.83 146.16 34.12 Favored 'General case' 0 C--N 1.312 -1.041 0 CA-C-N 115.452 -0.794 . . . . 15.0 111.916 -175.109 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.514 HG22 ' CD2' ' A' ' 29' ' ' PHE . 16.3 t -113.06 101.72 12.9 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.02 0 CA-C-N 114.356 -1.293 . . . . 15.0 109.521 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.718 ' O ' ' HA ' ' A' ' 27' ' ' PRO . 20.5 tpp180 -116.56 144.9 43.8 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.761 -0.459 . . . . 15.0 109.761 179.132 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.493 ' CE1' ' HD3' ' A' ' 27' ' ' PRO . 1.8 t60 -107.82 110.04 21.74 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.673 -1.232 . . . . 15.0 107.673 -178.197 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.95 160.35 8.69 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 116.451 -0.341 . . . . 15.0 110.177 -178.675 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_exo -56.86 -18.4 27.41 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.494 2.129 . . . . 15.0 113.168 -178.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 20.6 p30 -80.45 -13.11 59.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.407 0.623 . . . . 15.0 109.82 177.534 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 88.39 37.62 7.52 Favored Glycine 0 N--CA 1.436 -1.359 0 CA-C-N 115.06 -0.973 . . . . 15.0 112.546 -179.665 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -120.67 126.59 26.65 Favored Pre-proline 0 C--N 1.321 -0.671 0 N-CA-C 109.3 -0.63 . . . . 15.0 109.3 173.794 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.718 ' HA ' ' O ' ' A' ' 20' ' ' ARG . 72.6 Cg_endo -89.01 117.53 0.84 Allowed 'Trans proline' 0 N--CA 1.453 -0.885 0 C-N-CA 122.226 1.951 . . . . 15.0 112.391 178.3 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.427 ' H ' ' HD1' ' A' ' 28' ' ' PHE . 0.7 OUTLIER -105.47 122.28 45.67 Favored 'General case' 0 N--CA 1.439 -1.022 0 CA-C-N 113.625 -1.625 . . . . 15.0 108.961 178.769 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.516 ' HA ' ' O ' ' A' ' 18' ' ' GLU . 7.2 m-85 -89.87 114.2 25.93 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.337 -0.616 . . . . 15.0 109.337 -175.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.728 HG21 ' HB3' ' B' ' 117' ' ' TYR . 17.3 mt -99.0 138.17 24.25 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 115.576 -0.738 . . . . 15.0 111.177 -175.301 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -92.31 112.82 24.91 Favored 'General case' 0 C--N 1.309 -1.188 0 CA-C-N 115.311 -0.859 . . . . 15.0 108.823 168.724 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.681 ' CE1' ' HB2' ' B' ' 117' ' ' TYR . 12.3 m170 -93.94 4.54 53.77 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.417 -0.811 . . . . 15.0 110.613 -175.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 22.0 m-80 -89.81 -63.59 1.26 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.048 0.451 . . . . 15.0 110.31 178.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.419 ' O ' ' HB3' ' A' ' 35' ' ' LYS . 11.0 m -106.57 -3.53 20.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.862 -0.608 . . . . 15.0 110.974 -174.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.588 ' HD2' ' HB3' ' B' ' 116' ' ' PRO . 4.9 tppp? 70.34 85.93 0.13 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.713 -0.676 . . . . 15.0 111.222 -179.074 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.8 p -143.68 150.04 38.12 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.558 -0.746 . . . . 15.0 109.059 172.145 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.981 ' HB ' ' HB2' ' B' ' 114' ' ' PRO . 33.2 p -127.88 137.48 52.34 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.097 0.475 . . . . 15.0 112.12 -175.861 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.514 ' OG1' ' HG3' ' A' ' 40' ' ' GLU . 9.7 t -150.14 150.08 31.15 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.85 -0.614 . . . . 15.0 109.79 178.715 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 67.0 m95 -90.31 -10.68 43.22 Favored 'General case' 0 CA--C 1.513 -0.451 0 CA-C-O 121.086 0.469 . . . . 15.0 109.899 178.073 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.514 ' HG3' ' OG1' ' A' ' 38' ' ' THR . 0.8 OUTLIER -104.53 157.4 17.19 Favored 'General case' 0 N--CA 1.441 -0.875 0 CA-C-N 115.543 -0.753 . . . . 15.0 110.407 -174.116 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -92.79 135.68 25.88 Favored Pre-proline 0 C--N 1.319 -0.76 0 N-CA-C 113.101 0.778 . . . . 15.0 113.101 -164.745 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.68 ' HG2' HD12 ' A' ' 13' ' ' LEU . 58.7 Cg_endo -73.22 -9.91 23.72 Favored 'Trans proline' 0 CA--C 1.531 0.367 0 C-N-CA 123.294 2.663 . . . . 15.0 112.817 176.54 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 16.1 tpp180 -76.71 -32.09 57.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.078 0.466 . . . . 15.0 110.75 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.447 ' HA ' HD23 ' A' ' 44' ' ' LEU . 9.6 mt -80.14 -9.41 59.71 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.923 -0.58 . . . . 15.0 112.167 -179.645 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.691 ' HE2' ' HA ' ' A' ' 45' ' ' LYS . 9.8 mmpt? . . . . . 0 C--O 1.25 1.084 0 CA-C-N 115.463 -0.789 . . . . 15.0 110.229 -179.702 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 27.2 mp0 . . . . . 0 N--CA 1.482 1.134 0 CA-C-O 120.616 0.246 . . . . 15.0 110.397 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 50.8 mm -98.97 110.99 59.71 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 116.121 -0.49 . . . . 15.0 110.566 -177.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 114' ' ' PRO . . . . . 0.981 ' HB2' ' HB ' ' A' ' 37' ' ' THR . 12.1 Cg_exo -68.05 128.04 17.0 Favored 'Trans proline' 0 CA--C 1.531 0.37 0 C-N-CA 122.569 2.18 . . . . 15.0 112.142 177.644 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 115' ' ' PRO . . . . . 0.458 ' HA ' ' HD2' ' B' ' 116' ' ' PRO . 31.7 Cg_exo -60.59 126.67 20.47 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.642 2.228 . . . . 15.0 112.747 173.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 116' ' ' PRO . . . . . 0.588 ' HB3' ' HD2' ' A' ' 35' ' ' LYS . 7.3 Cg_endo -49.21 -179.49 0.01 OUTLIER 'Trans proline' 0 N--CA 1.414 -3.151 0 C-N-CA 125.121 3.88 . . . . 15.0 114.919 169.033 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 117' ' ' TYR . . . . . 0.728 ' HB3' HG21 ' A' ' 30' ' ' ILE . 2.0 p90 -81.99 128.49 34.13 Favored 'General case' 0 C--N 1.244 -3.996 1 CA-C-N 105.993 -5.094 . . . . 15.0 110.12 -178.971 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 19.8 m -109.79 -12.06 11.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 121.532 0.682 . . . . 15.0 109.255 175.324 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -101.45 106.05 43.66 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 114.962 -1.017 . . . . 15.0 109.255 176.159 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 120' ' ' PRO . . . . . 0.415 ' HA ' ' CE1' ' B' ' 117' ' ' TYR . 23.6 Cg_exo . . . . . 0 C--O 1.251 1.166 0 C-N-CA 122.704 2.269 . . . . 15.0 112.226 -177.484 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 28.0 t80 . . . . . 0 N--CA 1.478 0.926 0 N-CA-C 109.391 -0.596 . . . . 15.0 109.391 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.495 ' HB2' ' HG2' ' A' ' 42' ' ' PRO . 4.4 pp -72.59 154.62 91.48 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 120.582 0.229 . . . . 15.0 110.588 -179.752 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.803 ' HB2' ' CD1' ' A' ' 17' ' ' TRP . 30.5 Cg_exo -49.72 151.23 8.08 Favored 'Trans proline' 0 CA--C 1.497 -1.329 0 C-N-CA 124.819 3.679 . . . . 15.0 116.748 -178.746 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.2 mtpm? -71.15 135.92 47.86 Favored 'General case' 0 C--N 1.293 -1.876 0 CA-C-N 111.061 -2.791 . . . . 15.0 110.562 -177.182 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 83.28 2.91 90.32 Favored Glycine 0 C--N 1.319 -0.397 0 CA-C-N 115.613 -0.721 . . . . 15.0 111.545 -177.114 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.803 ' CD1' ' HB2' ' A' ' 14' ' ' PRO . 26.5 m95 -93.58 111.32 22.97 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.51 0.672 . . . . 15.0 109.966 176.111 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.666 ' O ' ' HA ' ' A' ' 29' ' ' PHE . 4.9 mt-10 -99.76 150.17 22.6 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.128 -0.942 . . . . 15.0 111.482 -175.791 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.523 HG22 ' CD2' ' A' ' 29' ' ' PHE . 15.8 t -118.38 89.92 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.347 0 CA-C-N 114.622 -1.172 . . . . 15.0 109.113 175.38 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.632 ' O ' ' HA ' ' A' ' 27' ' ' PRO . 18.6 ttm180 -102.32 135.59 43.65 Favored 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 120.643 -0.423 . . . . 15.0 110.142 -178.766 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.51 ' CE1' ' HD3' ' A' ' 27' ' ' PRO . 0.2 OUTLIER -91.46 110.44 21.75 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 108.107 -1.072 . . . . 15.0 108.107 175.957 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.19 164.81 12.53 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-N 116.446 -0.343 . . . . 15.0 110.499 -179.501 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_exo -60.3 -16.34 40.39 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.558 2.172 . . . . 15.0 113.145 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 26.4 p30 -80.27 -14.29 58.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.294 0.569 . . . . 15.0 109.834 175.782 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.91 37.89 5.92 Favored Glycine 0 N--CA 1.44 -1.063 0 CA-C-N 115.066 -0.97 . . . . 15.0 113.098 178.147 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 23.2 mmt180 -127.21 138.38 32.63 Favored Pre-proline 0 C--N 1.326 -0.419 0 O-C-N 122.815 -0.227 . . . . 15.0 110.574 177.535 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.632 ' HA ' ' O ' ' A' ' 20' ' ' ARG . 94.3 Cg_endo -88.18 113.41 0.78 Allowed 'Trans proline' 0 C--N 1.343 0.252 0 C-N-CA 122.26 1.973 . . . . 15.0 112.475 175.54 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.459 ' H ' ' HD1' ' A' ' 28' ' ' PHE . 0.3 OUTLIER -105.01 126.7 52.35 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 114.378 -1.283 . . . . 15.0 108.703 174.935 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.666 ' HA ' ' O ' ' A' ' 18' ' ' GLU . 6.9 m-85 -89.94 114.38 26.18 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.654 -0.703 . . . . 15.0 109.434 -174.05 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.841 HG21 ' HB3' ' B' ' 117' ' ' TYR . 21.2 mt -96.65 127.77 48.48 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.876 0 CA-C-N 115.279 -0.873 . . . . 15.0 110.763 -177.057 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.456 ' HB3' ' O ' ' A' ' 36' ' ' THR . 1.8 t70 -90.97 104.64 17.2 Favored 'General case' 0 C--N 1.302 -1.494 0 CA-C-N 114.928 -1.033 . . . . 15.0 108.639 172.054 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.475 ' CE1' ' HB2' ' B' ' 117' ' ' TYR . 11.4 m170 -84.64 0.61 49.61 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.271 -0.877 . . . . 15.0 110.545 -174.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 28.2 m-80 -87.21 -69.9 0.65 Allowed 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 121.079 0.466 . . . . 15.0 110.041 177.394 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -83.64 -3.75 57.99 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.899 -0.591 . . . . 15.0 110.085 -178.436 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.52 ' HD2' ' CE1' ' B' ' 117' ' ' TYR . 70.1 mmtt 70.84 29.83 3.02 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 115.267 -0.879 . . . . 15.0 110.555 175.626 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.456 ' O ' ' HB3' ' A' ' 31' ' ' ASP . 61.4 p -106.76 150.2 26.55 Favored 'General case' 0 C--O 1.219 -0.517 0 CA-C-N 115.867 -0.606 . . . . 15.0 110.694 -176.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.635 ' HB ' ' HB2' ' B' ' 114' ' ' PRO . 2.5 p -121.48 141.09 51.36 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 121.905 -0.497 . . . . 15.0 112.161 -177.414 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.486 ' OG1' ' HG3' ' A' ' 40' ' ' GLU . 12.7 t -150.09 150.35 31.57 Favored 'General case' 0 C--O 1.224 -0.252 0 CA-C-N 116.253 -0.43 . . . . 15.0 110.364 178.845 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 52.4 m95 -89.84 -7.88 53.3 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.963 0.411 . . . . 15.0 110.952 -178.533 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.486 ' HG3' ' OG1' ' A' ' 38' ' ' THR . 0.9 OUTLIER -94.26 162.42 13.86 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 116.098 -0.501 . . . . 15.0 110.804 -172.529 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.759 ' HB3' ' HG2' ' A' ' 43' ' ' ARG . 2.1 m-20 -93.62 118.04 67.41 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 115.806 -0.634 . . . . 15.0 111.741 -170.308 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.495 ' HG2' ' HB2' ' A' ' 13' ' ' LEU . 56.4 Cg_endo -69.19 -9.62 26.81 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.639 2.226 . . . . 15.0 111.668 175.156 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.759 ' HG2' ' HB3' ' A' ' 41' ' ' ASP . 8.0 ptp85 -71.53 -26.82 62.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.047 -0.524 . . . . 15.0 110.884 177.102 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 84.6 mt -80.36 -9.73 59.75 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-O 121.564 0.697 . . . . 15.0 111.128 179.085 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.455 ' HD3' ' OE1' ' A' ' 40' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.094 0 CA-C-N 114.986 -1.006 . . . . 15.0 110.724 -173.461 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 . . . . . 0 N--CA 1.479 0.985 0 CA-C-O 120.799 0.333 . . . . 15.0 110.319 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 113' ' ' ILE . . . . . 0.549 HD12 ' HD2' ' B' ' 114' ' ' PRO . 5.9 tp -151.47 113.77 3.03 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 116.231 -0.44 . . . . 15.0 110.535 -179.628 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 114' ' ' PRO . . . . . 0.635 ' HB2' ' HB ' ' A' ' 37' ' ' THR . 43.1 Cg_endo -84.35 120.14 2.47 Favored 'Trans proline' 0 N--CA 1.457 -0.661 0 C-N-CA 122.648 2.232 . . . . 15.0 112.71 178.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 115' ' ' PRO . . . . . 0.416 ' HA ' ' HD2' ' B' ' 116' ' ' PRO . 50.7 Cg_exo -58.22 130.95 40.35 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 123.13 2.553 . . . . 15.0 113.262 175.806 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 116' ' ' PRO . . . . . 0.416 ' HD2' ' HA ' ' B' ' 115' ' ' PRO . 7.1 Cg_endo -49.15 -179.4 0.01 OUTLIER 'Trans proline' 0 N--CA 1.414 -3.166 0 C-N-CA 124.968 3.779 . . . . 15.0 115.038 167.88 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 117' ' ' TYR . . . . . 0.841 ' HB3' HG21 ' A' ' 30' ' ' ILE . 23.3 p90 -76.92 141.38 40.53 Favored 'General case' 1 C--N 1.241 -4.142 1 CA-C-N 105.733 -5.212 . . . . 15.0 110.883 -179.34 . . . . . . . . 4 3 . 1 . 005 nuclear build full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 11.2 p -100.53 -23.95 4.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 108.621 -0.881 . . . . 15.0 108.621 172.661 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 119' ' ' GLU . . . . . 0.439 ' O ' ' HD2' ' B' ' 117' ' ' TYR . 7.9 mm-40 -96.27 119.03 65.07 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 114.574 -1.194 . . . . 15.0 109.133 177.16 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 120' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_endo . . . . . 0 C--O 1.248 1.017 0 C-N-CA 122.843 2.362 . . . . 15.0 112.519 -177.193 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.585 ' HE1' HH11 ' A' ' 43' ' ' ARG . 8.6 p90 . . . . . 0 N--CA 1.482 1.169 0 N-CA-C 112.004 0.372 . . . . 15.0 112.004 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.0 pp -105.16 147.16 34.07 Favored Pre-proline 0 C--N 1.326 -0.455 0 N-CA-C 109.852 -0.425 . . . . 15.0 109.852 176.254 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.679 ' HB2' ' CD1' ' A' ' 17' ' ' TRP . 22.9 Cg_exo -49.63 151.0 8.06 Favored 'Trans proline' 0 CA--C 1.497 -1.331 0 C-N-CA 124.663 3.575 . . . . 15.0 116.935 -177.001 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 28.4 ttpp -73.78 131.12 41.23 Favored 'General case' 0 C--N 1.294 -1.82 0 CA-C-N 110.955 -2.838 . . . . 15.0 110.148 -175.35 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.59 24.31 56.48 Favored Glycine 0 N--CA 1.447 -0.57 0 N-CA-C 111.052 -0.819 . . . . 15.0 111.052 -174.425 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.679 ' CD1' ' HB2' ' A' ' 14' ' ' PRO . 24.0 m95 -115.46 121.15 41.87 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.759 -0.46 . . . . 15.0 109.759 174.67 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.59 ' HB2' ' CE1' ' A' ' 32' ' ' HIS . 1.5 tm-20 -120.41 133.78 55.37 Favored 'General case' 0 CA--C 1.503 -0.847 0 CA-C-O 121.862 0.839 . . . . 15.0 109.974 -173.667 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.463 HG22 ' CD2' ' A' ' 29' ' ' PHE . 10.7 t -108.23 89.98 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.294 -1.839 0 CA-C-N 113.677 -1.601 . . . . 15.0 110.267 -173.739 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.803 ' O ' ' HA ' ' A' ' 27' ' ' PRO . 5.8 tpp180 -98.21 150.11 21.85 Favored 'General case' 0 C--O 1.213 -0.84 0 CA-C-N 115.909 -0.587 . . . . 15.0 109.805 -177.836 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.507 ' CE1' ' HD3' ' A' ' 27' ' ' PRO . 1.0 OUTLIER -114.54 110.92 20.56 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 108.777 -0.823 . . . . 15.0 108.777 -177.049 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.57 ' HB1' ' HD2' ' A' ' 23' ' ' PRO . . . -60.06 163.75 7.42 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 115.936 -0.575 . . . . 15.0 110.616 -178.283 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.57 ' HD2' ' HB1' ' A' ' 22' ' ' ALA . 22.4 Cg_endo -61.52 -18.95 62.63 Favored 'Trans proline' 0 C--N 1.35 0.615 0 C-N-CA 122.503 2.135 . . . . 15.0 113.203 -178.26 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 23.4 p30 -80.33 -10.05 59.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.545 0.688 . . . . 15.0 109.418 175.263 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 83.79 44.2 6.9 Favored Glycine 0 N--CA 1.435 -1.385 0 CA-C-N 114.712 -1.131 . . . . 15.0 112.39 -178.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 24.1 mmm180 -120.64 131.0 24.59 Favored Pre-proline 0 C--N 1.324 -0.517 0 N-CA-C 110.148 -0.316 . . . . 15.0 110.148 172.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.803 ' HA ' ' O ' ' A' ' 20' ' ' ARG . 97.3 Cg_endo -88.3 116.6 0.95 Allowed 'Trans proline' 0 N--CA 1.455 -0.769 0 C-N-CA 121.965 1.777 . . . . 15.0 112.293 176.107 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -103.62 119.62 39.27 Favored 'General case' 0 N--CA 1.437 -1.098 0 CA-C-N 113.478 -1.692 . . . . 15.0 108.936 177.178 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.463 ' CD2' HG22 ' A' ' 19' ' ' VAL . 5.5 m-85 -89.76 121.65 32.11 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.815 -0.63 . . . . 15.0 109.461 -174.379 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.892 ' HB ' ' CE1' ' A' ' 32' ' ' HIS . 16.4 mt -100.61 134.54 40.13 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.054 0 CA-C-N 115.239 -0.891 . . . . 15.0 111.124 -175.235 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.423 ' O ' ' HA ' ' A' ' 35' ' ' LYS . 8.6 t70 -93.61 118.76 31.78 Favored 'General case' 0 C--N 1.312 -1.05 0 N-CA-C 108.078 -1.082 . . . . 15.0 108.078 169.541 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.892 ' CE1' ' HB ' ' A' ' 30' ' ' ILE . 5.4 m80 -97.74 4.05 49.99 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.177 0.513 . . . . 15.0 110.106 -171.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 31.3 m-80 -89.83 -55.06 3.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.432 -0.804 . . . . 15.0 109.919 178.562 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.0 t -108.92 1.71 20.93 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.732 -0.667 . . . . 15.0 110.407 -179.315 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.946 ' HG3' ' HE1' ' B' ' 117' ' ' TYR . 3.6 mppt? 62.56 50.31 3.62 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 115.57 -0.741 . . . . 15.0 111.49 175.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 35.2 p -118.23 129.84 55.72 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.138 -0.483 . . . . 15.0 110.41 177.196 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.921 ' HB ' ' HG2' ' B' ' 114' ' ' PRO . 1.9 p -105.55 140.52 38.51 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.317 -0.401 . . . . 15.0 111.764 -176.437 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 4.4 t -150.01 142.89 24.79 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 109.262 -0.644 . . . . 15.0 109.262 178.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 24.6 m95 -83.15 -30.05 28.15 Favored 'General case' 0 CA--C 1.507 -0.675 0 CA-C-O 121.945 0.878 . . . . 15.0 110.097 -177.333 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.484 ' CD ' ' H ' ' A' ' 40' ' ' GLU . 2.3 pm0 -80.77 124.07 28.75 Favored 'General case' 0 C--N 1.308 -1.23 0 CA-C-N 114.06 -1.427 . . . . 15.0 110.33 -175.163 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -50.6 134.83 26.19 Favored Pre-proline 0 C--N 1.319 -0.72 0 CA-C-N 114.066 -1.424 . . . . 15.0 112.285 -173.776 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -65.04 -9.92 23.53 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.835 2.356 . . . . 15.0 111.193 172.776 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.585 HH11 ' HE1' ' A' ' 12' ' ' PHE . 17.9 mtm180 -77.53 -12.76 60.0 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 114.979 -1.01 . . . . 15.0 110.529 179.223 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 85.7 mt -79.82 -9.93 59.72 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 114.861 -1.063 . . . . 15.0 110.677 177.105 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.7 mmmp? . . . . . 0 C--N 1.313 -1.005 0 CA-C-N 114.811 -1.086 . . . . 15.0 111.027 -176.858 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 . . . . . 0 N--CA 1.475 0.778 0 CA-C-O 120.611 0.243 . . . . 15.0 110.5 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 113' ' ' ILE . . . . . 0.432 HD13 ' N ' ' B' ' 113' ' ' ILE . 0.2 OUTLIER -138.32 119.03 10.11 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.375 -0.375 . . . . 15.0 110.775 178.304 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 114' ' ' PRO . . . . . 0.921 ' HG2' ' HB ' ' A' ' 37' ' ' THR . 27.3 Cg_endo -80.7 138.8 12.11 Favored 'Trans proline' 0 N--CA 1.458 -0.617 0 C-N-CA 122.384 2.056 . . . . 15.0 112.516 178.23 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 115' ' ' PRO . . . . . 0.477 ' HA ' ' HD2' ' B' ' 116' ' ' PRO . 73.1 Cg_exo -49.3 127.62 18.25 Favored 'Trans proline' 0 N--CA 1.475 0.414 0 C-N-CA 123.794 2.996 . . . . 15.0 114.539 175.043 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 116' ' ' PRO . . . . . 0.477 ' HD2' ' HA ' ' B' ' 115' ' ' PRO . 4.7 Cg_endo -49.21 -179.61 0.01 OUTLIER 'Trans proline' 0 N--CA 1.414 -3.194 0 C-N-CA 124.919 3.746 . . . . 15.0 114.401 163.639 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 117' ' ' TYR . . . . . 0.946 ' HE1' ' HG3' ' A' ' 35' ' ' LYS . 41.9 p90 -78.34 132.36 37.39 Favored 'General case' 1 C--N 1.243 -4.055 1 CA-C-N 106.197 -5.001 . . . . 15.0 111.071 -175.801 . . . . . . . . 4 3 . 1 . 006 nuclear build full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 25.9 t -89.55 -15.78 8.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.566 0.698 . . . . 15.0 109.576 175.229 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 119' ' ' GLU . . . . . 0.476 ' HA ' ' HD3' ' B' ' 120' ' ' PRO . 11.8 pt-20 -140.85 124.05 9.99 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 115.335 -0.848 . . . . 15.0 110.858 -179.366 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 120' ' ' PRO . . . . . 0.476 ' HD3' ' HA ' ' B' ' 119' ' ' GLU . 6.7 Cg_exo . . . . . 0 C--O 1.25 1.081 0 C-N-CA 123.175 2.583 . . . . 15.0 111.386 175.035 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 44.1 p90 . . . . . 0 N--CA 1.484 1.233 0 CA-C-O 120.853 0.359 . . . . 15.0 111.012 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.3 pp -109.98 158.87 33.81 Favored Pre-proline 0 C--N 1.326 -0.438 0 N-CA-C 109.393 -0.595 . . . . 15.0 109.393 177.735 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.625 ' HB2' ' CD1' ' A' ' 17' ' ' TRP . 39.5 Cg_exo -49.71 150.94 8.39 Favored 'Trans proline' 0 CA--C 1.495 -1.47 0 C-N-CA 124.081 3.187 . . . . 15.0 116.142 -176.565 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -72.77 140.37 47.69 Favored 'General case' 0 C--N 1.288 -2.068 0 CA-C-N 111.142 -2.753 . . . . 15.0 109.706 -174.396 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.25 -5.4 67.51 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 121.055 -0.593 . . . . 15.0 111.81 -177.007 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.625 ' CD1' ' HB2' ' A' ' 14' ' ' PRO . 35.9 m95 -90.03 110.24 21.23 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.229 -0.656 . . . . 15.0 109.229 175.559 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.631 ' O ' ' HA ' ' A' ' 29' ' ' PHE . 18.5 mm-40 -108.19 145.01 34.83 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-O 122.009 0.909 . . . . 15.0 112.545 -172.507 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.509 HG22 ' CD2' ' A' ' 29' ' ' PHE . 11.5 t -115.33 105.3 18.29 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.18 0 CA-C-N 113.568 -1.651 . . . . 15.0 109.585 179.609 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.746 ' O ' ' HA ' ' A' ' 27' ' ' PRO . 15.6 ttm180 -127.69 150.06 49.94 Favored 'General case' 0 C--N 1.319 -0.747 0 C-N-CA 120.698 -0.401 . . . . 15.0 110.093 179.048 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.59 ' CE1' ' HD3' ' A' ' 27' ' ' PRO . 0.2 OUTLIER -95.38 118.17 31.64 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 109.738 -0.467 . . . . 15.0 109.738 -179.806 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.39 161.9 65.86 Favored Pre-proline 0 C--N 1.32 -0.713 0 N-CA-C 109.304 -0.628 . . . . 15.0 109.304 172.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_exo -58.14 -14.91 20.98 Favored 'Trans proline' 0 C--N 1.348 0.538 0 C-N-CA 122.876 2.384 . . . . 15.0 113.914 -175.298 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 30.7 p-10 -80.42 -13.23 59.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.284 0.564 . . . . 15.0 109.71 178.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 96.8 28.52 8.76 Favored Glycine 0 N--CA 1.439 -1.104 0 CA-C-N 115.471 -0.786 . . . . 15.0 112.885 179.208 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.424 ' O ' ' HA ' ' A' ' 21' ' ' HIS . 6.0 mmp_? -123.38 141.32 35.88 Favored Pre-proline 0 C--O 1.221 -0.44 0 CA-C-O 120.735 0.302 . . . . 15.0 111.253 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.746 ' HA ' ' O ' ' A' ' 20' ' ' ARG . 85.9 Cg_endo -88.06 113.78 0.83 Allowed 'Trans proline' 0 N--CA 1.459 -0.521 0 C-N-CA 122.506 2.137 . . . . 15.0 112.204 174.535 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.564 ' H ' ' HD1' ' A' ' 28' ' ' PHE . 0.3 OUTLIER -99.78 124.95 45.58 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-N 113.772 -1.558 . . . . 15.0 108.38 175.181 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.631 ' HA ' ' O ' ' A' ' 18' ' ' GLU . 12.1 m-85 -89.72 113.0 24.44 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-O 121.46 0.647 . . . . 15.0 109.4 -175.136 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.778 HG21 ' HB3' ' B' ' 117' ' ' TYR . 21.4 mt -96.26 131.59 42.66 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.973 0 CA-C-N 115.024 -0.989 . . . . 15.0 110.556 -177.83 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -90.41 105.56 17.9 Favored 'General case' 0 C--N 1.302 -1.48 0 CA-C-N 115.134 -0.939 . . . . 15.0 108.769 172.366 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.481 ' NE2' ' HB ' ' A' ' 30' ' ' ILE . 11.0 m170 -87.77 2.12 52.09 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.403 -0.817 . . . . 15.0 110.094 -176.45 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 25.4 m-80 -89.27 -66.17 0.95 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.653 -0.703 . . . . 15.0 110.316 179.014 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.98 -1.81 31.05 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.716 -0.675 . . . . 15.0 111.002 -174.01 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.703 ' HG3' ' HE1' ' B' ' 117' ' ' TYR . 0.0 OUTLIER 66.5 85.61 0.14 Allowed 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.521 -0.763 . . . . 15.0 110.573 -177.242 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -146.13 150.32 35.68 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 114.873 -1.058 . . . . 15.0 108.688 -178.398 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' THR . . . . . 1.008 ' HB ' ' HB2' ' B' ' 114' ' ' PRO . 20.1 p -132.38 131.49 41.9 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-O 121.111 0.482 . . . . 15.0 112.045 -178.534 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.414 ' OG1' ' HG3' ' A' ' 40' ' ' GLU . 11.3 t -150.17 150.29 31.42 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.79 -0.641 . . . . 15.0 109.926 -179.081 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 70.4 m95 -89.04 -11.37 44.33 Favored 'General case' 0 CA--C 1.512 -0.482 0 C-N-CA 120.912 -0.315 . . . . 15.0 110.617 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.414 ' HG3' ' OG1' ' A' ' 38' ' ' THR . 0.9 OUTLIER -101.84 158.12 16.35 Favored 'General case' 0 N--CA 1.442 -0.871 0 CA-C-O 121.393 0.616 . . . . 15.0 111.812 -170.513 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.752 ' HB3' ' HG2' ' A' ' 43' ' ' ARG . 2.3 m-20 -84.74 127.58 64.57 Favored Pre-proline 0 C--N 1.322 -0.621 0 CA-C-N 115.051 -0.977 . . . . 15.0 111.256 -171.261 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.741 ' HA ' ' HE2' ' A' ' 45' ' ' LYS . 23.4 Cg_endo -62.25 -9.75 16.14 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.872 2.381 . . . . 15.0 112.695 176.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.752 ' HG2' ' HB3' ' A' ' 41' ' ' ASP . 19.8 ptt180 -78.24 -19.4 53.83 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.842 0.353 . . . . 15.0 110.48 176.474 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 83.0 mt -80.47 -9.54 59.76 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-O 121.575 0.702 . . . . 15.0 111.044 178.592 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.741 ' HE2' ' HA ' ' A' ' 42' ' ' PRO . 41.4 pttt . . . . . 0 C--N 1.31 -1.134 0 CA-C-N 114.886 -1.052 . . . . 15.0 110.781 -176.377 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 . . . . . 0 N--CA 1.477 0.921 0 CA-C-O 121.138 0.494 . . . . 15.0 110.291 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 77.3 mt -133.31 114.78 13.67 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-N 115.77 -0.65 . . . . 15.0 109.945 -178.733 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 114' ' ' PRO . . . . . 1.008 ' HB2' ' HB ' ' A' ' 37' ' ' THR . 23.7 Cg_exo -63.32 127.28 19.64 Favored 'Trans proline' 0 CA--C 1.531 0.362 0 C-N-CA 122.51 2.14 . . . . 15.0 112.205 177.337 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 115' ' ' PRO . . . . . 0.427 ' HA ' ' HD2' ' B' ' 116' ' ' PRO . 38.9 Cg_exo -60.57 130.81 35.03 Favored 'Trans proline' 0 CA--C 1.531 0.353 0 C-N-CA 122.975 2.45 . . . . 15.0 112.986 172.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 116' ' ' PRO . . . . . 0.427 ' HD2' ' HA ' ' B' ' 115' ' ' PRO . 7.3 Cg_endo -49.38 -179.26 0.01 OUTLIER 'Trans proline' 0 N--CA 1.416 -3.078 0 C-N-CA 124.963 3.775 . . . . 15.0 115.384 167.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 117' ' ' TYR . . . . . 0.778 ' HB3' HG21 ' A' ' 30' ' ' ILE . 41.1 p90 -74.5 127.41 32.99 Favored 'General case' 1 C--N 1.244 -4.006 1 CA-C-N 105.856 -5.156 . . . . 15.0 110.067 -179.453 . . . . . . . . 4 3 . 1 . 007 nuclear build full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 28.6 m -89.47 -0.49 8.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.223 0.535 . . . . 15.0 109.776 173.684 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 119' ' ' GLU . . . . . 0.441 ' CD ' HH22 ' A' ' 20' ' ' ARG . 11.8 pt-20 -157.65 132.27 5.29 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 115.151 -0.931 . . . . 15.0 109.717 -179.236 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 120' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_endo . . . . . 0 C--O 1.25 1.122 0 C-N-CA 123.041 2.494 . . . . 15.0 112.794 -177.761 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 19.0 p90 . . . . . 0 N--CA 1.479 0.991 0 CA-C-O 121.296 0.57 . . . . 15.0 111.011 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.1 mp -120.16 140.52 30.1 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 116.116 -0.493 . . . . 15.0 110.318 174.505 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.735 ' HB2' ' CD1' ' A' ' 17' ' ' TRP . 8.8 Cg_exo -49.93 151.11 8.86 Favored 'Trans proline' 0 CA--C 1.495 -1.473 0 C-N-CA 123.608 2.872 . . . . 15.0 114.638 168.354 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.479 ' HD3' ' H ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -60.73 119.8 8.85 Favored 'General case' 0 C--N 1.287 -2.126 0 CA-C-N 111.522 -2.581 . . . . 15.0 110.793 -172.507 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 86.45 5.26 82.45 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 121.155 -0.545 . . . . 15.0 112.746 178.747 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.735 ' CD1' ' HB2' ' A' ' 14' ' ' PRO . 31.9 m95 -92.33 124.37 36.34 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.091 0.472 . . . . 15.0 110.365 176.209 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.55 ' O ' ' HA ' ' A' ' 29' ' ' PHE . 36.7 mm-40 -124.92 149.96 47.06 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.642 -0.708 . . . . 15.0 112.169 -174.147 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.576 HG22 ' CD2' ' A' ' 29' ' ' PHE . 11.7 t -118.31 107.39 21.72 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.866 0 CA-C-N 115.329 -0.851 . . . . 15.0 110.234 178.438 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.654 ' O ' ' HA ' ' A' ' 27' ' ' PRO . 24.2 ttm180 -117.89 140.44 49.7 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.605 -0.517 . . . . 15.0 109.605 177.517 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.589 ' CE1' ' HD3' ' A' ' 27' ' ' PRO . 0.1 OUTLIER -93.07 112.02 23.84 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.434 -0.951 . . . . 15.0 108.434 176.77 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.546 ' HB1' ' HD2' ' A' ' 23' ' ' PRO . . . -65.22 161.8 45.98 Favored Pre-proline 0 C--N 1.322 -0.591 0 N-CA-C 109.989 -0.375 . . . . 15.0 109.989 178.33 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.546 ' HD2' ' HB1' ' A' ' 22' ' ' ALA . 11.7 Cg_endo -56.63 -18.97 28.18 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.744 2.296 . . . . 15.0 113.465 -177.432 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 30.4 p-10 -80.33 -11.36 59.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.329 0.585 . . . . 15.0 109.598 179.555 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 94.22 27.33 12.25 Favored Glycine 0 N--CA 1.438 -1.168 0 CA-C-N 115.084 -0.962 . . . . 15.0 112.9 177.708 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 24.2 mmm180 -117.77 136.19 23.6 Favored Pre-proline 0 C--N 1.326 -0.456 0 CA-C-O 120.609 0.242 . . . . 15.0 110.832 177.655 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.654 ' HA ' ' O ' ' A' ' 20' ' ' ARG . 95.0 Cg_endo -88.39 114.63 0.81 Allowed 'Trans proline' 0 N--CA 1.457 -0.646 0 C-N-CA 122.346 2.031 . . . . 15.0 111.845 174.74 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.616 ' HB2' ' HB3' ' B' ' 114' ' ' PRO . 0.4 OUTLIER -104.03 124.26 48.7 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 113.931 -1.486 . . . . 15.0 108.904 177.859 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.576 ' CD2' HG22 ' A' ' 19' ' ' VAL . 5.8 m-85 -89.78 113.84 25.45 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.644 -0.707 . . . . 15.0 109.298 -174.447 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.638 HG21 ' HB3' ' B' ' 117' ' ' TYR . 26.1 mt -95.02 131.15 42.62 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.911 0 CA-C-N 115.163 -0.926 . . . . 15.0 110.801 -176.289 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -92.67 105.74 17.84 Favored 'General case' 0 C--N 1.307 -1.243 0 CA-C-N 114.903 -1.044 . . . . 15.0 108.379 168.61 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.534 ' CE1' ' HB2' ' B' ' 117' ' ' TYR . 11.6 m170 -82.92 -0.92 50.72 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 114.921 -1.036 . . . . 15.0 110.85 -172.867 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 13.6 m-80 -90.2 -49.94 6.27 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.949 0.404 . . . . 15.0 110.944 -179.709 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -106.24 4.82 29.25 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.336 -0.393 . . . . 15.0 110.848 -175.594 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.788 ' HG3' ' HE1' ' B' ' 117' ' ' TYR . 0.0 OUTLIER 66.35 24.62 10.52 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 115.798 -0.637 . . . . 15.0 111.214 178.808 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 71.0 p -99.3 150.06 22.5 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.472 -0.331 . . . . 15.0 110.144 -175.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' THR . . . . . 1.042 ' HB ' ' HB2' ' B' ' 114' ' ' PRO . 1.8 p -132.48 143.72 49.96 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.956 0.407 . . . . 15.0 111.869 -176.011 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -150.15 150.33 31.49 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 115.889 -0.596 . . . . 15.0 109.921 -176.851 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 97.2 m95 -88.93 -20.7 24.18 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-O 121.154 0.502 . . . . 15.0 111.947 -172.433 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.512 ' CD ' ' H ' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -117.41 132.77 56.51 Favored 'General case' 0 C--N 1.309 -1.19 0 CA-C-N 115.718 -0.674 . . . . 15.0 111.908 -165.612 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -39.13 135.4 1.06 Allowed Pre-proline 0 N--CA 1.467 0.416 0 CA-C-N 114.254 -1.339 . . . . 15.0 113.434 -170.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.608 ' HA ' ' HE2' ' A' ' 45' ' ' LYS . 35.0 Cg_endo -65.84 -9.87 24.64 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.725 2.283 . . . . 15.0 111.12 172.19 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 70.7 mtt85 -72.82 -17.18 61.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.438 -0.801 . . . . 15.0 109.99 177.435 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 92.1 mt -79.84 -9.92 59.72 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.372 -0.831 . . . . 15.0 110.669 178.588 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.608 ' HE2' ' HA ' ' A' ' 42' ' ' PRO . 3.6 mppt? . . . . . 0 C--N 1.309 -1.182 0 CA-C-N 114.765 -1.107 . . . . 15.0 109.778 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 . . . . . 0 N--CA 1.48 1.06 0 CA-C-O 121.244 0.545 . . . . 15.0 110.894 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 19.1 pt -134.21 113.3 12.34 Favored Pre-proline 0 C--N 1.322 -0.593 0 CA-C-N 115.822 -0.626 . . . . 15.0 110.519 179.349 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 114' ' ' PRO . . . . . 1.042 ' HB2' ' HB ' ' A' ' 37' ' ' THR . 22.8 Cg_exo -63.22 126.79 18.57 Favored 'Trans proline' 0 CA--C 1.529 0.272 0 C-N-CA 122.303 2.002 . . . . 15.0 111.772 177.04 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 115' ' ' PRO . . . . . 0.476 ' HA ' ' HD2' ' B' ' 116' ' ' PRO . 52.8 Cg_exo -56.39 128.65 30.97 Favored 'Trans proline' 0 N--CA 1.472 0.262 0 C-N-CA 122.779 2.319 . . . . 15.0 112.724 174.599 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 116' ' ' PRO . . . . . 0.476 ' HD2' ' HA ' ' B' ' 115' ' ' PRO . 7.0 Cg_endo -49.36 -179.47 0.01 OUTLIER 'Trans proline' 0 N--CA 1.413 -3.253 0 C-N-CA 124.533 3.489 . . . . 15.0 114.854 169.335 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 117' ' ' TYR . . . . . 0.788 ' HE1' ' HG3' ' A' ' 35' ' ' LYS . 12.9 p90 -76.06 143.01 41.61 Favored 'General case' 1 C--N 1.24 -4.156 1 CA-C-N 105.818 -5.173 . . . . 15.0 110.007 -179.089 . . . . . . . . 4 3 . 1 . 008 nuclear build full ' B' B ' 118' ' ' VAL . . . . . 0.516 HG23 HH22 ' A' ' 20' ' ' ARG . 21.2 t -112.5 -13.02 11.52 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.813 0 N-CA-C 108.02 -1.104 . . . . 15.0 108.02 174.386 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -120.41 121.01 29.52 Favored Pre-proline 0 N--CA 1.442 -0.868 0 CA-C-N 114.019 -1.446 . . . . 15.0 109.888 -177.507 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 120' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo . . . . . 0 C--O 1.251 1.146 0 C-N-CA 122.7 2.267 . . . . 15.0 112.381 179.84 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 49.9 p90 . . . . . 0 N--CA 1.481 1.116 0 CA-C-O 120.48 0.181 . . . . 15.0 111.462 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.3 mp -94.83 141.01 22.75 Favored Pre-proline 0 C--O 1.234 0.273 0 CA-C-O 120.862 0.363 . . . . 15.0 111.052 178.504 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.738 ' HB2' ' CD1' ' A' ' 17' ' ' TRP . 8.3 Cg_exo -49.11 150.88 6.62 Favored 'Trans proline' 0 CA--C 1.494 -1.482 0 C-N-CA 124.866 3.711 . . . . 15.0 116.169 174.47 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -68.06 126.84 30.78 Favored 'General case' 0 C--N 1.291 -1.951 0 CA-C-N 111.327 -2.669 . . . . 15.0 110.543 -175.102 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.93 19.79 56.99 Favored Glycine 0 N--CA 1.447 -0.63 0 N-CA-C 111.587 -0.605 . . . . 15.0 111.587 -178.076 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.738 ' CD1' ' HB2' ' A' ' 14' ' ' PRO . 54.1 m95 -112.54 116.72 30.68 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.691 -0.485 . . . . 15.0 109.691 175.021 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.607 ' HB2' ' CE1' ' A' ' 32' ' ' HIS . 1.3 tm-20 -120.2 130.5 54.58 Favored 'General case' 0 CA--C 1.497 -1.085 0 CA-C-O 122.1 0.952 . . . . 15.0 109.53 -174.33 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.549 HG22 ' CD2' ' A' ' 29' ' ' PHE . 16.6 t -105.88 110.37 31.06 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.927 0 CA-C-N 112.958 -1.928 . . . . 15.0 110.213 -175.53 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.783 ' O ' ' HA ' ' A' ' 27' ' ' PRO . 18.3 ttm180 -132.3 146.59 52.09 Favored 'General case' 0 C--N 1.313 -1.001 0 C-N-CA 120.577 -0.449 . . . . 15.0 110.456 -178.514 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.637 ' CE1' ' HD3' ' A' ' 27' ' ' PRO . 0.0 OUTLIER -94.68 114.43 26.36 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 108.536 -0.912 . . . . 15.0 108.536 178.621 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.572 ' HB1' ' HD2' ' A' ' 23' ' ' PRO . . . -74.56 166.87 41.38 Favored Pre-proline 0 C--N 1.317 -0.815 0 CA-C-N 116.176 -0.465 . . . . 15.0 110.003 178.663 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.572 ' HD2' ' HB1' ' A' ' 22' ' ' ALA . 12.8 Cg_endo -57.69 -9.9 6.32 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 123.054 2.503 . . . . 15.0 112.817 176.14 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 47.5 t30 -80.0 -12.13 59.73 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 108.907 -0.775 . . . . 15.0 108.907 177.314 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 89.64 8.43 67.74 Favored Glycine 0 N--CA 1.443 -0.871 0 CA-C-N 115.364 -0.835 . . . . 15.0 112.155 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 9.3 mmm180 -110.74 144.0 29.37 Favored Pre-proline 0 C--N 1.32 -0.68 0 CA-C-N 115.435 -0.382 . . . . 15.0 111.114 -177.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.783 ' HA ' ' O ' ' A' ' 20' ' ' ARG . 93.7 Cg_endo -88.5 116.51 0.9 Allowed 'Trans proline' 0 N--CA 1.454 -0.832 0 C-N-CA 122.52 2.147 . . . . 15.0 111.298 171.361 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.566 ' H ' ' HD1' ' A' ' 28' ' ' PHE . 0.2 OUTLIER -100.32 121.96 42.33 Favored 'General case' 0 C--N 1.311 -1.093 0 CA-C-N 114.133 -1.394 . . . . 15.0 108.496 176.622 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.549 ' CD2' HG22 ' A' ' 19' ' ' VAL . 6.2 m-85 -89.87 113.19 24.75 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 108.614 -0.884 . . . . 15.0 108.614 -176.554 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.987 ' HB ' ' CE1' ' A' ' 32' ' ' HIS . 8.6 mt -94.88 136.89 24.67 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.126 0 CA-C-N 115.136 -0.938 . . . . 15.0 111.472 -172.5 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.467 ' HB3' ' HB ' ' A' ' 36' ' ' THR . 0.9 OUTLIER -93.99 113.33 25.3 Favored 'General case' 0 C--N 1.312 -1.042 0 CA-C-N 114.875 -1.057 . . . . 15.0 109.216 170.691 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.987 ' CE1' ' HB ' ' A' ' 30' ' ' ILE . 13.6 m80 -99.68 0.54 42.11 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.992 -1.004 . . . . 15.0 110.129 -172.203 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 19.1 m-80 -78.04 -35.45 49.71 Favored 'General case' 0 CA--C 1.516 -0.356 0 N-CA-C 109.089 -0.708 . . . . 15.0 109.089 177.843 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.773 HG22 ' HG3' ' A' ' 35' ' ' LYS . 56.3 m -125.04 -78.13 0.6 Allowed 'General case' 0 N--CA 1.444 -0.762 0 CA-C-N 115.03 -0.986 . . . . 15.0 110.425 177.881 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.773 ' HG3' HG22 ' A' ' 34' ' ' THR . 0.1 OUTLIER 171.31 29.84 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.451 0.7 . . . . 15.0 110.456 -179.349 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.467 ' HB ' ' HB3' ' A' ' 31' ' ' ASP . 0.9 OUTLIER -90.87 150.63 21.46 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.193 -0.458 . . . . 15.0 109.884 -170.377 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.947 ' HB ' ' HB2' ' B' ' 114' ' ' PRO . 4.3 p -139.37 139.27 37.15 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-O 121.234 0.54 . . . . 15.0 111.991 -177.862 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.453 ' OG1' ' HG3' ' A' ' 40' ' ' GLU . 9.7 t -150.22 150.23 31.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.485 -0.78 . . . . 15.0 109.998 -179.266 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 65.4 m95 -91.44 -10.15 42.01 Favored 'General case' 0 CA--C 1.516 -0.363 0 C-N-CA 120.746 -0.382 . . . . 15.0 111.104 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.453 ' HG3' ' OG1' ' A' ' 38' ' ' THR . 0.2 OUTLIER -101.99 160.44 14.49 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-O 121.383 0.611 . . . . 15.0 111.869 -170.5 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.858 ' HB3' ' HG2' ' A' ' 43' ' ' ARG . 2.1 m-20 -86.5 127.75 59.59 Favored Pre-proline 0 C--N 1.324 -0.512 0 CA-C-N 115.185 -0.916 . . . . 15.0 111.801 -170.334 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_endo -66.42 -9.98 25.99 Favored 'Trans proline' 0 CA--C 1.53 0.299 0 C-N-CA 122.954 2.436 . . . . 15.0 112.219 176.385 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.858 ' HG2' ' HB3' ' A' ' 41' ' ' ASP . 28.3 ptt85 -78.9 -16.25 57.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.064 -0.516 . . . . 15.0 110.709 177.458 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 85.5 mt -80.23 -9.58 59.73 Favored 'General case' 0 CA--C 1.518 -0.254 0 CA-C-O 121.785 0.802 . . . . 15.0 110.662 178.664 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.541 ' HB3' ' NZ ' ' A' ' 45' ' ' LYS . 0.6 OUTLIER . . . . . 0 C--O 1.251 1.132 0 CA-C-N 114.005 -1.452 . . . . 15.0 109.995 179.145 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 22.8 mp0 . . . . . 0 N--CA 1.482 1.171 0 N-CA-C 109.986 -0.376 . . . . 15.0 109.986 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 113' ' ' ILE . . . . . 0.411 ' N ' HD12 ' B' ' 113' ' ' ILE . 3.3 mp -98.14 114.38 65.08 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.703 -0.226 . . . . 15.0 110.691 -178.549 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 114' ' ' PRO . . . . . 0.947 ' HB2' ' HB ' ' A' ' 37' ' ' THR . 13.9 Cg_exo -68.0 130.1 20.92 Favored 'Trans proline' 0 CA--C 1.534 0.519 0 C-N-CA 122.568 2.179 . . . . 15.0 112.43 176.224 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 115' ' ' PRO . . . . . 0.467 ' HA ' ' HD2' ' B' ' 116' ' ' PRO . 49.4 Cg_exo -60.58 132.77 44.86 Favored 'Trans proline' 0 N--CA 1.476 0.486 0 C-N-CA 123.079 2.519 . . . . 15.0 113.393 172.283 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 116' ' ' PRO . . . . . 0.467 ' HD2' ' HA ' ' B' ' 115' ' ' PRO . 6.4 Cg_endo -49.19 -179.3 0.01 OUTLIER 'Trans proline' 0 N--CA 1.416 -3.061 0 C-N-CA 124.938 3.758 . . . . 15.0 114.681 165.201 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 117' ' ' TYR . . . . . 0.571 ' HB3' HG21 ' A' ' 30' ' ' ILE . 51.6 p90 -82.68 157.72 23.23 Favored 'General case' 1 C--N 1.242 -4.105 1 CA-C-N 106.195 -5.002 . . . . 15.0 110.657 -177.651 . . . . . . . . 4 3 . 1 . 009 nuclear build full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 8.7 p -129.67 -1.96 2.8 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-N 115.805 -0.634 . . . . 15.0 109.725 -177.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -77.46 115.88 53.16 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-N 115.608 -0.723 . . . . 15.0 110.343 -178.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 120' ' ' PRO . . . . . . . . . . . . . 21.5 Cg_exo . . . . . 0 C--O 1.251 1.149 0 C-N-CA 122.923 2.415 . . . . 15.0 111.437 175.501 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 40.0 p90 . . . . . 0 N--CA 1.48 1.064 0 CA-C-O 120.695 0.283 . . . . 15.0 110.983 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.3 mp -95.74 160.14 30.92 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 120.792 0.329 . . . . 15.0 111.541 -178.411 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.684 ' HB2' ' CD1' ' A' ' 17' ' ' TRP . 6.5 Cg_exo -49.49 151.15 7.48 Favored 'Trans proline' 0 CA--C 1.502 -1.115 0 C-N-CA 124.925 3.75 . . . . 15.0 115.988 170.315 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.6 tppp? -60.94 122.22 14.36 Favored 'General case' 0 C--N 1.294 -1.809 0 CA-C-N 111.41 -2.632 . . . . 15.0 110.964 -172.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 88.35 -1.55 84.38 Favored Glycine 0 N--CA 1.451 -0.338 0 CA-C-N 116.035 -0.53 . . . . 15.0 112.334 179.159 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.684 ' CD1' ' HB2' ' A' ' 14' ' ' PRO . 46.5 m95 -89.97 115.79 27.53 Favored 'General case' 0 CA--C 1.511 -0.535 0 CA-C-O 121.36 0.6 . . . . 15.0 110.015 175.681 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.652 ' O ' ' HA ' ' A' ' 29' ' ' PHE . 1.2 mm-40 -108.06 148.33 29.94 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-N 115.421 -0.808 . . . . 15.0 111.531 -177.821 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.492 HG22 ' CD2' ' A' ' 29' ' ' PHE . 5.2 t -122.52 91.88 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.304 0 CA-C-N 114.313 -1.312 . . . . 15.0 108.756 178.545 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.757 ' O ' ' HA ' ' A' ' 27' ' ' PRO . 33.3 ttm-85 -107.28 149.16 28.09 Favored 'General case' 0 C--N 1.314 -0.936 0 C-N-CA 119.981 -0.688 . . . . 15.0 110.059 -178.392 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.498 ' CE1' ' HD3' ' A' ' 27' ' ' PRO . 0.3 OUTLIER -105.27 109.83 21.96 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 108.4 -0.963 . . . . 15.0 108.4 -174.813 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.604 ' HB1' ' HD2' ' A' ' 23' ' ' PRO . . . -61.76 163.74 11.75 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 116.194 -0.457 . . . . 15.0 110.465 -179.804 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.604 ' HD2' ' HB1' ' A' ' 22' ' ' ALA . 18.7 Cg_endo -59.17 -18.79 46.13 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 122.595 2.196 . . . . 15.0 113.37 -178.021 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 15.4 p30 -80.44 -10.0 59.75 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.556 0.694 . . . . 15.0 109.755 176.61 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 88.13 42.03 6.06 Favored Glycine 0 N--CA 1.438 -1.209 0 CA-C-N 115.077 -0.965 . . . . 15.0 112.466 178.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.445 ' HD3' ' HA ' ' A' ' 26' ' ' ARG . 16.8 mmt180 -128.54 136.33 28.94 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 120.611 0.243 . . . . 15.0 110.929 177.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.757 ' HA ' ' O ' ' A' ' 20' ' ' ARG . 83.5 Cg_endo -88.15 115.24 0.9 Allowed 'Trans proline' 0 N--CA 1.462 -0.329 0 C-N-CA 122.398 2.065 . . . . 15.0 112.567 176.258 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.514 ' HB3' ' CZ3' ' A' ' 39' ' ' TRP . 0.9 OUTLIER -104.88 123.23 47.36 Favored 'General case' 0 N--CA 1.44 -0.944 0 CA-C-N 113.804 -1.543 . . . . 15.0 108.632 175.773 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.652 ' HA ' ' O ' ' A' ' 18' ' ' GLU . 12.1 m-85 -89.85 118.98 29.84 Favored 'General case' 0 N--CA 1.442 -0.857 0 CA-C-N 115.743 -0.662 . . . . 15.0 109.621 -174.02 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.76 HG21 ' HB3' ' B' ' 117' ' ' TYR . 29.9 mt -101.78 128.95 53.76 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.08 0 CA-C-N 115.347 -0.842 . . . . 15.0 110.346 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 62.6 t0 -90.86 104.25 16.86 Favored 'General case' 0 C--N 1.308 -1.229 0 N-CA-C 107.636 -1.246 . . . . 15.0 107.636 169.705 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.655 ' CE1' ' HB ' ' A' ' 30' ' ' ILE . 1.9 m80 -79.47 -3.09 45.01 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 114.809 -1.087 . . . . 15.0 110.69 -172.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 21.0 m-80 -89.92 -52.75 4.82 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.238 0.542 . . . . 15.0 110.394 175.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.4 m -96.65 -1.62 46.34 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 115.565 -0.743 . . . . 15.0 111.786 -173.647 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.743 ' HG3' ' HE1' ' B' ' 117' ' ' TYR . 12.9 mptt 65.95 23.43 11.23 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-O 120.922 0.391 . . . . 15.0 110.745 -179.495 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 23.2 p -102.97 128.0 49.97 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.297 -0.411 . . . . 15.0 111.029 -174.543 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.663 ' HB ' ' HB2' ' B' ' 114' ' ' PRO . 6.8 p -108.83 136.55 48.2 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.163 0.506 . . . . 15.0 111.49 -178.364 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.678 ' OG1' ' HG3' ' A' ' 40' ' ' GLU . 5.7 t -149.16 150.05 32.02 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.915 -0.584 . . . . 15.0 110.352 -176.451 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.514 ' CZ3' ' HB3' ' A' ' 28' ' ' PHE . 45.3 m95 -93.82 -7.93 41.93 Favored 'General case' 0 CA--C 1.508 -0.665 0 CA-C-O 121.017 0.436 . . . . 15.0 110.197 179.229 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.678 ' HG3' ' OG1' ' A' ' 38' ' ' THR . 1.2 pp20? -91.21 151.86 20.77 Favored 'General case' 0 N--CA 1.437 -1.109 0 C-N-CA 120.024 -0.671 . . . . 15.0 109.993 -175.87 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -101.72 129.14 27.26 Favored Pre-proline 0 C--N 1.314 -0.946 0 CA-C-N 115.19 -0.914 . . . . 15.0 111.01 -162.392 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_endo -65.38 -13.7 41.13 Favored 'Trans proline' 0 CA--C 1.531 0.351 0 C-N-CA 122.725 2.284 . . . . 15.0 113.293 -179.04 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 4.2 ptp180 -79.11 -17.19 55.54 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.631 0.729 . . . . 15.0 109.62 177.534 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 83.6 mt -74.81 -9.64 58.74 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 114.974 -1.012 . . . . 15.0 110.698 178.466 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.1 ttmp? . . . . . 0 C--N 1.312 -1.05 0 CA-C-N 114.591 -1.186 . . . . 15.0 109.463 177.971 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 8.0 tm0? . . . . . 0 N--CA 1.479 0.999 0 N-CA-C 109.289 -0.634 . . . . 15.0 109.289 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 13.4 tt -66.28 117.53 44.31 Favored Pre-proline 0 CA--C 1.539 0.53 0 CA-C-O 120.977 0.418 . . . . 15.0 112.096 -176.772 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 114' ' ' PRO . . . . . 0.663 ' HB2' ' HB ' ' A' ' 37' ' ' THR . 5.0 Cg_exo -73.99 138.87 26.34 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.433 2.089 . . . . 15.0 111.892 172.154 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 115' ' ' PRO . . . . . 0.424 ' HA ' ' HD2' ' B' ' 116' ' ' PRO . 74.9 Cg_exo -54.5 125.16 18.04 Favored 'Trans proline' 0 CA--C 1.53 0.325 0 C-N-CA 123.044 2.496 . . . . 15.0 113.243 173.272 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 116' ' ' PRO . . . . . 0.424 ' HD2' ' HA ' ' B' ' 115' ' ' PRO . 7.6 Cg_endo -49.02 -179.65 0.01 OUTLIER 'Trans proline' 0 N--CA 1.415 -3.11 0 C-N-CA 125.202 3.935 . . . . 15.0 115.233 167.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 117' ' ' TYR . . . . . 0.76 ' HB3' HG21 ' A' ' 30' ' ' ILE . 30.1 p90 -79.22 132.42 36.5 Favored 'General case' 1 C--N 1.244 -4.005 1 CA-C-N 105.77 -5.196 . . . . 15.0 110.14 179.804 . . . . . . . . 4 3 . 1 . 010 nuclear build full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 28.2 m -110.3 -9.99 11.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-O 121.131 0.491 . . . . 15.0 110.216 178.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 119' ' ' GLU . . . . . 0.49 ' HA ' ' HD3' ' B' ' 120' ' ' PRO . 2.8 mp0 -71.07 116.1 43.17 Favored Pre-proline 0 C--N 1.326 -0.446 0 CA-C-N 115.469 -0.787 . . . . 15.0 110.652 179.444 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 120' ' ' PRO . . . . . 0.49 ' HD3' ' HA ' ' B' ' 119' ' ' GLU . 7.8 Cg_exo . . . . . 0 C--O 1.247 0.929 0 C-N-CA 123.309 2.673 . . . . 15.0 112.041 -177.569 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 55.7 p90 . . . . . 0 N--CA 1.482 1.173 0 CA-C-O 120.949 0.404 . . . . 15.0 111.032 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.645 HD11 HG23 ' A' ' 19' ' ' VAL . 47.3 mt -83.76 149.23 56.45 Favored Pre-proline 0 C--N 1.321 -0.634 0 CA-C-O 121.33 0.586 . . . . 15.0 111.976 -175.763 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.73 ' HB2' ' CD1' ' A' ' 17' ' ' TRP . 0.8 OUTLIER -49.55 151.07 7.73 Favored 'Trans proline' 0 CA--C 1.494 -1.477 0 C-N-CA 123.676 2.917 . . . . 15.0 113.872 160.864 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 44.8 tptt -59.06 122.6 14.15 Favored 'General case' 0 C--N 1.283 -2.293 0 CA-C-N 111.48 -2.6 . . . . 15.0 110.702 -172.013 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 83.07 8.7 85.27 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 121.165 -0.54 . . . . 15.0 112.722 176.729 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.73 ' CD1' ' HB2' ' A' ' 14' ' ' PRO . 25.8 m95 -89.97 140.35 29.71 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.359 0.6 . . . . 15.0 110.784 176.577 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.739 ' O ' ' HA ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -129.52 150.09 51.01 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.074 -0.966 . . . . 15.0 110.446 -176.177 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.645 HG23 HD11 ' A' ' 13' ' ' LEU . 19.4 t -130.87 90.47 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.296 -1.747 0 CA-C-N 114.401 -1.272 . . . . 15.0 108.656 175.413 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.742 ' O ' ' HA ' ' A' ' 27' ' ' PRO . 26.2 ttm180 -117.09 147.02 42.76 Favored 'General case' 0 C--N 1.314 -0.944 0 C-N-CA 120.43 -0.508 . . . . 15.0 109.933 -178.089 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.608 ' CE1' ' HD3' ' A' ' 27' ' ' PRO . 1.6 m-70 -94.65 119.34 33.13 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 109.275 -0.639 . . . . 15.0 109.275 178.379 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.588 ' HB1' ' HD2' ' A' ' 23' ' ' PRO . . . -69.92 164.71 49.28 Favored Pre-proline 0 C--N 1.32 -0.676 0 N-CA-C 109.614 -0.513 . . . . 15.0 109.614 174.57 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.588 ' HD2' ' HB1' ' A' ' 22' ' ' ALA . 15.9 Cg_endo -58.09 -12.13 11.94 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 122.542 2.161 . . . . 15.0 113.347 -179.207 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 21.0 p30 -80.45 -15.52 56.58 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.305 0.574 . . . . 15.0 109.979 177.242 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 97.27 22.81 15.98 Favored Glycine 0 N--CA 1.439 -1.124 0 CA-C-N 115.629 -0.714 . . . . 15.0 112.922 177.571 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.446 ' O ' ' HA ' ' A' ' 21' ' ' HIS . 26.4 mmm180 -122.86 143.82 41.35 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 122.647 -0.325 . . . . 15.0 111.298 -178.411 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.742 ' HA ' ' O ' ' A' ' 20' ' ' ARG . 82.6 Cg_endo -88.5 120.33 1.21 Allowed 'Trans proline' 0 N--CA 1.459 -0.555 0 C-N-CA 122.892 2.395 . . . . 15.0 112.233 176.284 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.43 ' CE2' HD11 ' A' ' 30' ' ' ILE . 1.7 p90 -107.59 123.33 48.3 Favored 'General case' 0 N--CA 1.434 -1.228 0 CA-C-N 113.741 -1.572 . . . . 15.0 108.559 176.327 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.739 ' HA ' ' O ' ' A' ' 18' ' ' GLU . 4.8 m-85 -89.85 114.71 26.51 Favored 'General case' 0 N--CA 1.441 -0.892 0 N-CA-C 109.354 -0.61 . . . . 15.0 109.354 -175.106 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.645 HG21 ' HB3' ' B' ' 117' ' ' TYR . 15.9 mt -98.51 135.41 33.46 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.918 0 CA-C-N 115.501 -0.772 . . . . 15.0 110.931 -176.764 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -97.4 107.84 20.44 Favored 'General case' 0 C--N 1.309 -1.19 0 CA-C-N 114.975 -1.011 . . . . 15.0 108.697 170.455 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.546 ' NE2' ' HB ' ' A' ' 30' ' ' ILE . 10.7 m170 -87.15 0.75 54.81 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.059 -0.973 . . . . 15.0 110.583 -172.79 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 13.0 m-80 -90.21 -67.5 0.84 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 15.0 110.388 179.197 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 8.7 m -86.3 -4.95 59.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.405 0.621 . . . . 15.0 109.777 -179.229 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.533 ' HD2' ' CE1' ' B' ' 117' ' ' TYR . 29.5 mmtp 72.33 33.09 1.55 Allowed 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 114.731 -1.122 . . . . 15.0 110.75 173.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 48.0 p -102.72 150.25 23.65 Favored 'General case' 0 C--O 1.22 -0.459 0 CA-C-N 116.031 -0.531 . . . . 15.0 110.763 -177.574 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.982 ' HB ' ' HB2' ' B' ' 114' ' ' PRO . 20.6 p -121.91 142.89 49.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 121.931 -0.481 . . . . 15.0 111.982 -178.798 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.525 ' OG1' ' HG3' ' A' ' 40' ' ' GLU . 9.7 t -150.15 150.19 31.29 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 116.019 -0.537 . . . . 15.0 110.203 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 86.4 m95 -89.24 -15.63 33.15 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 120.998 0.428 . . . . 15.0 111.094 178.629 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.525 ' HG3' ' OG1' ' A' ' 38' ' ' THR . 0.6 OUTLIER -99.98 160.55 14.23 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-O 121.551 0.691 . . . . 15.0 112.146 -166.576 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -88.49 136.29 31.6 Favored Pre-proline 0 C--N 1.321 -0.661 0 CA-C-N 114.963 -1.017 . . . . 15.0 111.95 -165.754 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -66.73 -10.04 26.72 Favored 'Trans proline' 0 CA--C 1.53 0.308 0 C-N-CA 122.875 2.383 . . . . 15.0 112.472 176.248 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.448 ' HD3' ' HA ' ' A' ' 43' ' ' ARG . 19.1 mmt180 -75.27 -11.96 60.18 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.961 0.41 . . . . 15.0 111.037 176.769 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 92.8 mt -80.16 -9.72 59.73 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.695 0.759 . . . . 15.0 110.058 176.312 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 76.9 mttt . . . . . 0 C--N 1.314 -0.954 0 CA-C-N 114.528 -1.215 . . . . 15.0 110.028 -173.454 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 . . . . . 0 N--CA 1.477 0.883 0 CA-C-O 120.917 0.389 . . . . 15.0 110.702 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 47.9 mm -111.06 111.32 56.15 Favored Pre-proline 0 C--N 1.324 -0.529 0 N-CA-C 109.506 -0.553 . . . . 15.0 109.506 177.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 114' ' ' PRO . . . . . 0.982 ' HB2' ' HB ' ' A' ' 37' ' ' THR . 4.7 Cg_exo -71.47 119.7 6.43 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 121.672 1.581 . . . . 15.0 111.721 179.758 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 115' ' ' PRO . . . . . 0.43 ' HA ' ' HD2' ' B' ' 116' ' ' PRO . 18.0 Cg_exo -68.34 136.3 36.62 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.568 2.179 . . . . 15.0 112.315 174.477 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 116' ' ' PRO . . . . . 0.43 ' HD2' ' HA ' ' B' ' 115' ' ' PRO . 6.9 Cg_endo -49.2 -179.55 0.01 OUTLIER 'Trans proline' 0 N--CA 1.415 -3.142 0 C-N-CA 124.998 3.799 . . . . 15.0 114.778 167.258 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 117' ' ' TYR . . . . . 0.645 ' HB3' HG21 ' A' ' 30' ' ' ILE . 24.6 p90 -76.59 131.72 39.06 Favored 'General case' 1 C--N 1.239 -4.201 1 CA-C-N 105.711 -5.222 . . . . 15.0 109.495 179.402 . . . . . . . . 4 3 . 1 . 011 nuclear build full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 5.6 t -112.18 40.12 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-O 121.725 0.774 . . . . 15.0 110.081 -173.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 119' ' ' GLU . . . . . 0.472 ' OE1' ' HB2' ' B' ' 117' ' ' TYR . 2.3 mp0 -119.61 118.52 32.08 Favored Pre-proline 0 C--N 1.323 -0.551 0 N-CA-C 109.096 -0.705 . . . . 15.0 109.096 176.388 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 120' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo . . . . . 0 C--O 1.25 1.09 0 C-N-CA 122.793 2.329 . . . . 15.0 111.802 178.242 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 20.8 p90 . . . . . 0 N--CA 1.483 1.18 0 CA-C-O 120.918 0.389 . . . . 15.0 110.773 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.7 mp -104.29 153.76 38.78 Favored Pre-proline 0 C--N 1.328 -0.351 0 N-CA-C 109.984 -0.376 . . . . 15.0 109.984 174.664 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.749 ' HB2' ' CD1' ' A' ' 17' ' ' TRP . 15.9 Cg_exo -49.55 150.93 7.9 Favored 'Trans proline' 0 CA--C 1.496 -1.385 0 C-N-CA 123.913 3.075 . . . . 15.0 115.362 176.431 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -63.69 120.07 11.11 Favored 'General case' 0 C--N 1.292 -1.909 0 CA-C-N 111.198 -2.728 . . . . 15.0 110.822 -172.273 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 91.34 0.17 73.88 Favored Glycine 0 N--CA 1.448 -0.566 0 CA-C-N 116.123 -0.489 . . . . 15.0 112.219 178.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.749 ' CD1' ' HB2' ' A' ' 14' ' ' PRO . 40.6 m95 -89.97 114.62 26.48 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.298 0.57 . . . . 15.0 110.572 177.82 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.592 ' O ' ' HA ' ' A' ' 29' ' ' PHE . 3.0 mt-10 -102.96 150.06 23.91 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.233 -0.894 . . . . 15.0 111.827 -178.09 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.538 HG22 ' CD2' ' A' ' 29' ' ' PHE . 15.9 t -119.02 103.17 14.08 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.188 0 CA-C-N 114.343 -1.299 . . . . 15.0 108.926 173.668 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.709 ' O ' ' HA ' ' A' ' 27' ' ' PRO . 10.6 ttm180 -125.92 146.6 49.78 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 120.681 -0.407 . . . . 15.0 109.977 -178.593 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.622 ' CE1' ' HD3' ' A' ' 27' ' ' PRO . 0.0 OUTLIER -96.75 118.87 34.15 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 109.123 -0.695 . . . . 15.0 109.123 -177.751 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.16 160.68 82.08 Favored Pre-proline 0 C--N 1.32 -0.706 0 N-CA-C 109.228 -0.656 . . . . 15.0 109.228 175.273 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -59.82 -10.51 12.17 Favored 'Trans proline' 0 CA--C 1.534 0.504 0 C-N-CA 122.77 2.313 . . . . 15.0 113.393 -177.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 20.3 p30 -80.41 -12.99 59.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.305 0.574 . . . . 15.0 109.968 176.537 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.37 9.9 46.21 Favored Glycine 0 N--CA 1.44 -1.089 0 CA-C-N 115.45 -0.795 . . . . 15.0 113.095 177.447 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 10.5 mmm180 -111.16 140.75 23.17 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 122.701 -0.293 . . . . 15.0 111.342 -178.316 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.709 ' HA ' ' O ' ' A' ' 20' ' ' ARG . 93.7 Cg_endo -88.58 115.15 0.8 Allowed 'Trans proline' 0 N--CA 1.457 -0.667 0 C-N-CA 122.659 2.239 . . . . 15.0 111.85 173.383 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.625 ' H ' ' HD1' ' A' ' 28' ' ' PHE . 0.4 OUTLIER -99.52 124.14 44.42 Favored 'General case' 0 N--CA 1.437 -1.118 0 CA-C-N 114.383 -1.281 . . . . 15.0 108.48 176.488 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.592 ' HA ' ' O ' ' A' ' 18' ' ' GLU . 7.2 m-85 -89.71 117.84 28.87 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.51 -0.768 . . . . 15.0 109.374 -174.868 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.706 HG21 ' HB3' ' B' ' 117' ' ' TYR . 20.0 mt -104.49 134.67 45.22 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.885 0 CA-C-N 115.618 -0.719 . . . . 15.0 111.377 -175.522 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -89.95 115.35 27.18 Favored 'General case' 0 C--N 1.307 -1.262 0 N-CA-C 108.096 -1.076 . . . . 15.0 108.096 168.013 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.418 ' NE2' ' HB ' ' A' ' 30' ' ' ILE . 11.9 m170 -94.32 5.04 53.01 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 115.842 -0.617 . . . . 15.0 110.927 -174.171 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 26.5 m-80 -90.02 -62.28 1.5 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.032 0.444 . . . . 15.0 110.846 177.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.8 m -111.43 2.58 17.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.004 -0.543 . . . . 15.0 110.599 -174.101 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.1 tmmm? 66.66 92.26 0.08 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.368 -0.833 . . . . 15.0 110.208 -178.536 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.1 m -140.61 150.31 43.43 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 114.81 -1.086 . . . . 15.0 108.279 177.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' THR . . . . . 1.062 ' HB ' ' HB2' ' B' ' 114' ' ' PRO . 5.5 p -138.23 135.9 36.02 Favored 'General case' 0 C--N 1.313 -1.007 0 C-N-CA 120.39 -0.524 . . . . 15.0 112.101 -176.092 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 14.7 t -150.27 150.21 31.21 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 115.68 -0.691 . . . . 15.0 109.408 -179.472 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 70.0 m95 -91.09 -19.87 22.66 Favored 'General case' 0 CA--C 1.512 -0.511 0 CA-C-O 121.897 0.856 . . . . 15.0 109.697 176.778 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -103.6 128.91 50.79 Favored 'General case' 0 C--N 1.31 -1.139 0 CA-C-N 114.263 -1.335 . . . . 15.0 110.613 -168.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -52.65 130.65 46.09 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 114.41 -1.268 . . . . 15.0 111.923 -170.381 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -68.84 -9.91 27.61 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.805 2.337 . . . . 15.0 112.093 178.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 11.2 tpp180 -76.95 -23.49 52.38 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.395 0.617 . . . . 15.0 110.13 178.455 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 88.4 mt -72.18 -9.81 58.94 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.35 -0.841 . . . . 15.0 110.811 174.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 45.7 mmtm . . . . . 0 C--N 1.308 -1.213 0 CA-C-N 114.799 -1.091 . . . . 15.0 109.722 177.631 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 86.7 mm-40 . . . . . 0 N--CA 1.479 0.997 0 N-CA-C 109.822 -0.436 . . . . 15.0 109.822 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 64.9 mt 69.56 103.68 0.03 OUTLIER Pre-proline 0 C--O 1.234 0.244 0 O-C-N 123.648 0.593 . . . . 15.0 110.628 -177.833 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 114' ' ' PRO . . . . . 1.062 ' HB2' ' HB ' ' A' ' 37' ' ' THR . 9.8 Cg_exo -69.05 127.61 15.42 Favored 'Trans proline' 0 N--CA 1.461 -0.393 0 C-N-CA 122.249 1.966 . . . . 15.0 111.802 178.211 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 115' ' ' PRO . . . . . 0.478 ' HA ' ' HD2' ' B' ' 116' ' ' PRO . 93.0 Cg_endo -81.81 134.56 8.51 Favored 'Trans proline' 0 CA--C 1.529 0.257 0 C-N-CA 122.897 2.398 . . . . 15.0 112.729 179.246 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 116' ' ' PRO . . . . . 0.478 ' HD2' ' HA ' ' B' ' 115' ' ' PRO . 7.3 Cg_endo -48.56 -179.64 0.01 OUTLIER 'Trans proline' 0 N--CA 1.419 -2.895 1 C-N-CA 125.396 4.064 . . . . 15.0 115.661 172.886 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 117' ' ' TYR . . . . . 0.706 ' HB3' HG21 ' A' ' 30' ' ' ILE . 30.4 p90 -70.86 120.08 15.93 Favored 'General case' 1 C--N 1.243 -4.039 1 CA-C-N 105.84 -5.163 . . . . 15.0 110.101 -177.807 . . . . . . . . 4 3 . 1 . 012 nuclear build full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 14.4 p -80.43 -14.11 12.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 121.663 0.745 . . . . 15.0 109.626 176.025 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -149.48 134.67 9.58 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 115.134 -0.939 . . . . 15.0 109.794 179.553 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 120' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_endo . . . . . 0 C--O 1.25 1.119 0 C-N-CA 122.755 2.303 . . . . 15.0 111.956 177.668 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 23.7 p90 . . . . . 0 N--CA 1.484 1.228 0 CA-C-O 120.997 0.427 . . . . 15.0 110.485 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.2 mp -79.22 151.69 75.66 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 116.075 -0.511 . . . . 15.0 110.383 178.448 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.692 ' HB2' ' CD1' ' A' ' 17' ' ' TRP . 15.8 Cg_exo -49.65 151.25 7.86 Favored 'Trans proline' 0 CA--C 1.493 -1.562 0 C-N-CA 124.33 3.354 . . . . 15.0 115.38 174.433 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.405 ' H ' ' HD2' ' A' ' 15' ' ' LYS . 10.6 mptt -65.14 137.11 57.44 Favored 'General case' 0 C--N 1.291 -1.937 0 CA-C-N 111.221 -2.718 . . . . 15.0 110.142 -174.068 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.82 -1.33 68.31 Favored Glycine 0 C--N 1.319 -0.397 0 CA-C-N 115.413 -0.812 . . . . 15.0 112.731 -179.258 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.692 ' CD1' ' HB2' ' A' ' 14' ' ' PRO . 49.4 m95 -90.24 103.86 16.5 Favored 'General case' 0 CA--C 1.516 -0.354 0 CA-C-O 121.392 0.615 . . . . 15.0 109.537 175.76 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.571 ' O ' ' HA ' ' A' ' 29' ' ' PHE . 27.4 mm-40 -96.02 145.68 25.25 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.911 -1.04 . . . . 15.0 111.735 -174.73 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.481 HG22 ' CD2' ' A' ' 29' ' ' PHE . 10.0 t -117.66 91.0 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.848 0 CA-C-N 114.97 -1.014 . . . . 15.0 110.121 -179.23 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.638 ' O ' ' HA ' ' A' ' 27' ' ' PRO . 6.7 ttm180 -105.67 134.52 48.65 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.606 -0.438 . . . . 15.0 110.123 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.458 ' CE1' ' HD3' ' A' ' 27' ' ' PRO . 0.4 OUTLIER -91.01 107.76 19.41 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 108.143 -1.058 . . . . 15.0 108.143 176.21 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.612 ' HB1' ' HD2' ' A' ' 23' ' ' PRO . . . -63.01 164.57 12.71 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 116.556 -0.293 . . . . 15.0 110.385 -178.533 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.612 ' HD2' ' HB1' ' A' ' 22' ' ' ALA . 16.8 Cg_endo -58.1 -16.82 28.9 Favored 'Trans proline' 0 C--N 1.35 0.614 0 C-N-CA 122.754 2.302 . . . . 15.0 113.493 -178.402 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.41 ' OD1' ' HB3' ' A' ' 22' ' ' ALA . 32.4 p-10 -80.49 -11.05 59.72 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.21 -0.663 . . . . 15.0 109.21 177.379 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 85.58 39.32 8.31 Favored Glycine 0 N--CA 1.437 -1.266 0 CA-C-N 114.8 -1.091 . . . . 15.0 112.382 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.424 ' HD3' ' HA ' ' A' ' 26' ' ' ARG . 18.9 mmt180 -127.18 133.92 25.58 Favored Pre-proline 0 C--N 1.324 -0.538 0 N-CA-C 110.099 -0.334 . . . . 15.0 110.099 175.258 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.638 ' HA ' ' O ' ' A' ' 20' ' ' ARG . 73.2 Cg_endo -88.72 107.16 0.48 Allowed 'Trans proline' 0 N--CA 1.451 -1.011 0 C-N-CA 122.201 1.934 . . . . 15.0 111.356 177.843 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.649 ' H ' ' HD1' ' A' ' 28' ' ' PHE . 0.2 OUTLIER -97.57 124.15 41.73 Favored 'General case' 0 N--CA 1.441 -0.893 0 CA-C-N 114.319 -1.309 . . . . 15.0 108.814 177.024 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.571 ' HA ' ' O ' ' A' ' 18' ' ' GLU . 11.6 m-85 -89.8 118.49 29.43 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.289 -0.868 . . . . 15.0 109.515 -174.403 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.747 HG21 ' HB3' ' B' ' 117' ' ' TYR . 19.0 mt -104.6 136.59 37.45 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.874 0 CA-C-N 115.418 -0.81 . . . . 15.0 110.772 -177.46 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.544 ' HB3' ' HB ' ' A' ' 36' ' ' THR . 1.2 t70 -89.68 116.09 27.54 Favored 'General case' 0 C--N 1.308 -1.237 0 CA-C-N 115.277 -0.874 . . . . 15.0 108.696 171.158 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.643 ' CE1' ' HB ' ' A' ' 30' ' ' ILE . 6.3 m80 -103.62 4.96 36.17 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.035 -0.984 . . . . 15.0 110.776 -175.539 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 15.9 m-80 -84.1 -30.43 25.97 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-O 121.558 0.694 . . . . 15.0 109.55 179.139 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.464 ' O ' ' HB3' ' A' ' 35' ' ' LYS . 84.3 m -138.85 -71.9 0.4 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.151 -0.931 . . . . 15.0 109.477 178.759 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.534 ' O ' ' HG3' ' A' ' 35' ' ' LYS . 19.4 ptpt 161.1 103.59 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.34 0 O-C-N 124.392 1.058 . . . . 15.0 110.21 173.833 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.544 ' HB ' ' HB3' ' A' ' 31' ' ' ASP . 1.3 m -150.36 150.89 32.04 Favored 'General case' 0 C--N 1.307 -1.241 0 CA-C-N 114.608 -1.178 . . . . 15.0 109.594 -178.771 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' THR . . . . . 1.006 ' HB ' ' HB2' ' B' ' 114' ' ' PRO . 1.0 OUTLIER -141.14 132.79 27.16 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-O 121.117 0.484 . . . . 15.0 111.684 178.675 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.535 ' OG1' ' HG3' ' A' ' 40' ' ' GLU . 9.3 t -150.02 150.16 31.38 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.941 -0.572 . . . . 15.0 110.388 -179.375 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 63.3 m95 -92.49 -12.26 32.45 Favored 'General case' 0 CA--C 1.514 -0.415 0 CA-C-O 120.904 0.383 . . . . 15.0 110.337 177.723 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.535 ' HG3' ' OG1' ' A' ' 38' ' ' THR . 1.0 OUTLIER -99.23 159.98 14.6 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-N 115.972 -0.558 . . . . 15.0 110.693 -172.723 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.687 ' HB3' ' HG3' ' A' ' 43' ' ' ARG . 4.7 m-20 -91.88 125.59 56.59 Favored Pre-proline 0 C--N 1.319 -0.731 0 CA-C-N 115.897 -0.592 . . . . 15.0 111.43 -171.002 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -60.99 -9.78 13.06 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 123.388 2.725 . . . . 15.0 112.289 176.032 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.687 ' HG3' ' HB3' ' A' ' 41' ' ' ASP . 13.9 mtt180 -60.99 -26.05 67.31 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 116.139 -0.482 . . . . 15.0 110.917 -178.545 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 71.2 mt -79.95 -10.04 59.74 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.591 0.71 . . . . 15.0 111.117 -178.205 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 57.1 mttp . . . . . 0 C--N 1.307 -1.243 0 CA-C-N 114.873 -1.058 . . . . 15.0 110.36 -173.888 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 112' ' ' GLN . . . . . 0.646 ' N ' HE21 ' B' ' 112' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.972 0 CA-C-O 121.306 0.574 . . . . 15.0 110.761 . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 69.0 mt -96.82 118.9 64.57 Favored Pre-proline 0 C--N 1.326 -0.426 0 CA-C-N 116.233 -0.44 . . . . 15.0 110.296 179.648 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 114' ' ' PRO . . . . . 1.006 ' HB2' ' HB ' ' A' ' 37' ' ' THR . 2.7 Cg_exo -71.21 122.52 8.79 Favored 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 122.117 1.878 . . . . 15.0 112.13 177.083 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 115' ' ' PRO . . . . . 0.467 ' HA ' ' HD2' ' B' ' 116' ' ' PRO . 31.2 Cg_exo -63.02 125.69 16.4 Favored 'Trans proline' 0 N--CA 1.474 0.342 0 C-N-CA 122.881 2.387 . . . . 15.0 112.66 173.104 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 116' ' ' PRO . . . . . 0.467 ' HD2' ' HA ' ' B' ' 115' ' ' PRO . 7.2 Cg_endo -48.91 -179.64 0.01 OUTLIER 'Trans proline' 0 N--CA 1.416 -3.085 0 C-N-CA 124.747 3.631 . . . . 15.0 114.9 168.683 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 117' ' ' TYR . . . . . 0.747 ' HB3' HG21 ' A' ' 30' ' ' ILE . 25.5 p90 -72.98 127.2 31.84 Favored 'General case' 1 C--N 1.243 -4.052 1 CA-C-N 105.973 -5.103 . . . . 15.0 109.806 -179.394 . . . . . . . . 4 3 . 1 . 013 nuclear build full ' B' B ' 118' ' ' VAL . . . . . 0.426 ' O ' ' HD3' ' B' ' 120' ' ' PRO . 8.6 p -108.7 -3.61 10.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 N-CA-C 108.761 -0.829 . . . . 15.0 108.761 177.032 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -80.62 109.67 13.99 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 114.681 -1.145 . . . . 15.0 110.191 177.365 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 120' ' ' PRO . . . . . 0.426 ' HD3' ' O ' ' B' ' 118' ' ' VAL . 72.1 Cg_endo . . . . . 0 N--CA 1.446 -1.309 0 C-N-CA 123.087 2.524 . . . . 15.0 111.738 178.841 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 34.6 p90 . . . . . 0 N--CA 1.477 0.92 0 CA-C-O 121.287 0.565 . . . . 15.0 110.652 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.418 HD13 ' HA ' ' A' ' 13' ' ' LEU . 4.1 mm? -120.15 140.51 30.07 Favored Pre-proline 0 C--N 1.32 -0.677 0 CA-C-N 115.73 -0.668 . . . . 15.0 109.756 175.35 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.762 ' HB2' ' CD1' ' A' ' 17' ' ' TRP . 10.7 Cg_exo -49.85 151.02 8.74 Favored 'Trans proline' 0 CA--C 1.496 -1.397 0 C-N-CA 123.629 2.886 . . . . 15.0 115.03 170.711 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 32.9 ttpt -60.42 124.3 19.93 Favored 'General case' 0 C--N 1.287 -2.141 0 CA-C-N 111.215 -2.721 . . . . 15.0 110.812 -172.828 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.45 -1.3 88.44 Favored Glycine 0 C--N 1.33 0.213 0 CA-C-N 116.046 -0.525 . . . . 15.0 112.659 -179.731 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.762 ' CD1' ' HB2' ' A' ' 14' ' ' PRO . 51.0 m95 -89.89 117.77 28.96 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.088 0.47 . . . . 15.0 110.145 177.342 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.492 ' O ' ' HA ' ' A' ' 29' ' ' PHE . 31.2 mm-40 -111.4 149.57 31.03 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.5 -0.773 . . . . 15.0 111.694 -176.133 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.53 HG22 ' CD2' ' A' ' 29' ' ' PHE . 16.2 t -115.75 108.66 25.8 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.897 0 CA-C-N 114.772 -1.104 . . . . 15.0 109.229 177.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.715 ' O ' ' HA ' ' A' ' 27' ' ' PRO . 1.0 OUTLIER -123.63 143.64 50.11 Favored 'General case' 0 C--N 1.316 -0.854 0 C-N-CA 120.406 -0.518 . . . . 15.0 110.165 178.484 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.533 ' CE1' ' HD3' ' A' ' 27' ' ' PRO . 0.3 OUTLIER -101.95 110.23 22.16 Favored 'General case' 0 C--N 1.311 -1.069 0 N-CA-C 107.846 -1.168 . . . . 15.0 107.846 -178.824 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.416 ' HB3' ' OD1' ' A' ' 24' ' ' ASN . . . -62.52 162.13 22.21 Favored Pre-proline 0 C--N 1.323 -0.558 0 N-CA-C 110.046 -0.353 . . . . 15.0 110.046 -179.802 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -57.97 -18.61 36.25 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.6 2.2 . . . . 15.0 113.381 -176.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.416 ' OD1' ' HB3' ' A' ' 22' ' ' ALA . 33.7 p-10 -80.38 -10.03 59.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.559 0.695 . . . . 15.0 109.477 177.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 88.72 29.6 18.03 Favored Glycine 0 N--CA 1.44 -1.048 0 CA-C-N 114.892 -1.049 . . . . 15.0 112.802 178.099 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.7 mmp_? -115.76 131.03 23.89 Favored Pre-proline 0 C--N 1.321 -0.668 0 N-CA-C 109.405 -0.591 . . . . 15.0 109.405 174.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.715 ' HA ' ' O ' ' A' ' 20' ' ' ARG . 95.3 Cg_endo -88.93 116.54 0.8 Allowed 'Trans proline' 0 N--CA 1.457 -0.649 0 C-N-CA 122.119 1.879 . . . . 15.0 112.411 176.664 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.583 ' H ' ' HD1' ' A' ' 28' ' ' PHE . 0.2 OUTLIER -104.4 123.31 47.21 Favored 'General case' 0 N--CA 1.442 -0.857 0 CA-C-N 113.957 -1.474 . . . . 15.0 109.066 177.894 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.53 ' CD2' HG22 ' A' ' 19' ' ' VAL . 9.3 m-85 -89.74 120.42 30.98 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.591 -0.731 . . . . 15.0 109.628 -174.895 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.771 HG21 ' HB3' ' B' ' 117' ' ' TYR . 16.9 mt -106.17 136.69 39.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.977 -0.556 . . . . 15.0 111.747 -174.834 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.842 ' HB3' ' HB ' ' A' ' 36' ' ' THR . 0.4 OUTLIER -90.04 110.72 21.7 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-N 114.957 -1.02 . . . . 15.0 108.753 168.867 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.624 ' CE1' ' HB2' ' B' ' 117' ' ' TYR . 12.1 m-70 -93.98 0.27 55.94 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.008 -0.996 . . . . 15.0 110.879 -174.375 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 15.1 m-80 -80.91 -34.22 33.59 Favored 'General case' 0 CA--C 1.512 -0.514 0 N-CA-C 108.996 -0.742 . . . . 15.0 108.996 177.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.408 ' O ' ' HG2' ' A' ' 35' ' ' LYS . 18.0 m -124.67 -87.6 0.62 Allowed 'General case' 0 N--CA 1.443 -0.798 0 CA-C-N 115.507 -0.77 . . . . 15.0 110.841 177.246 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.408 ' HG2' ' O ' ' A' ' 34' ' ' THR . 39.3 mmtm -172.4 21.62 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 122.739 0.416 . . . . 15.0 110.59 -170.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.842 ' HB ' ' HB3' ' A' ' 31' ' ' ASP . 1.9 m -90.16 150.71 21.9 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.461 -0.496 . . . . 15.0 110.967 -168.017 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' THR . . . . . 1.016 ' HB ' ' HB2' ' B' ' 114' ' ' PRO . 7.7 p -146.58 133.34 20.01 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-N 116.101 -0.5 . . . . 15.0 110.934 -178.615 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.475 ' OG1' ' HG3' ' A' ' 40' ' ' GLU . 10.2 t -150.16 150.15 31.24 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.145 -0.48 . . . . 15.0 110.168 179.512 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 66.7 m95 -88.46 -11.37 46.12 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 121.257 0.551 . . . . 15.0 110.158 178.712 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.475 ' HG3' ' OG1' ' A' ' 38' ' ' THR . 0.4 OUTLIER -108.01 162.55 13.94 Favored 'General case' 0 N--CA 1.44 -0.965 0 CA-C-N 115.623 -0.717 . . . . 15.0 110.372 -172.918 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -97.84 128.56 33.65 Favored Pre-proline 0 C--N 1.319 -0.726 0 CA-C-O 121.326 0.584 . . . . 15.0 112.23 -169.251 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -63.83 -10.1 21.3 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 123.727 2.951 . . . . 15.0 112.438 179.708 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 77.1 mtp180 -76.95 -41.03 44.85 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.777 -0.647 . . . . 15.0 110.178 179.681 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.9 -16.37 55.46 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.263 -0.88 . . . . 15.0 110.975 178.896 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 37.9 ttmt . . . . . 0 C--O 1.249 1.055 0 O-C-N 125.763 1.914 . . . . 15.0 113.356 178.772 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 27.5 mm-40 . . . . . 0 N--CA 1.482 1.151 0 CA-C-O 120.868 0.366 . . . . 15.0 110.52 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 6.1 tp -108.53 114.91 58.54 Favored Pre-proline 0 C--N 1.317 -0.844 0 CA-C-N 116.038 -0.528 . . . . 15.0 111.022 -176.737 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 114' ' ' PRO . . . . . 1.016 ' HB2' ' HB ' ' A' ' 37' ' ' THR . 13.8 Cg_exo -68.69 126.12 13.61 Favored 'Trans proline' 0 CA--C 1.53 0.284 0 C-N-CA 122.188 1.925 . . . . 15.0 111.617 173.634 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 115' ' ' PRO . . . . . 0.462 ' HA ' ' HD2' ' B' ' 116' ' ' PRO . 52.2 Cg_exo -57.71 126.75 22.78 Favored 'Trans proline' 0 C--N 1.343 0.26 0 C-N-CA 122.851 2.367 . . . . 15.0 112.775 174.77 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 116' ' ' PRO . . . . . 0.462 ' HD2' ' HA ' ' B' ' 115' ' ' PRO . 6.7 Cg_endo -48.81 -179.65 0.01 OUTLIER 'Trans proline' 0 N--CA 1.415 -3.114 0 C-N-CA 125.016 3.811 . . . . 15.0 115.326 170.495 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 117' ' ' TYR . . . . . 0.771 ' HB3' HG21 ' A' ' 30' ' ' ILE . 2.7 p90 -83.62 133.63 34.83 Favored 'General case' 0 C--N 1.244 -3.993 1 CA-C-N 105.9 -5.137 . . . . 15.0 110.542 -177.168 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 29.1 m -117.97 -7.36 11.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 121.359 0.599 . . . . 15.0 109.559 176.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 119' ' ' GLU . . . . . 0.412 ' HA ' ' HD3' ' B' ' 120' ' ' PRO . 0.4 OUTLIER -102.9 110.5 63.56 Favored Pre-proline 0 C--O 1.237 0.404 0 CA-C-N 115.211 -0.904 . . . . 15.0 109.886 179.159 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 120' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' B' ' 119' ' ' GLU . 4.8 Cg_exo . . . . . 0 C--O 1.247 0.965 0 C-N-CA 123.009 2.473 . . . . 15.0 111.728 178.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.473 ' CE2' ' HD2' ' A' ' 43' ' ' ARG . 28.9 p90 . . . . . 0 N--CA 1.483 1.207 0 CA-C-O 120.897 0.379 . . . . 15.0 111.34 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.4 pp -98.21 160.44 28.24 Favored Pre-proline 0 C--N 1.324 -0.527 0 N-CA-C 108.534 -0.913 . . . . 15.0 108.534 171.427 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.665 ' HB2' ' CD1' ' A' ' 17' ' ' TRP . 44.8 Cg_exo -49.55 150.66 8.3 Favored 'Trans proline' 0 CA--C 1.498 -1.288 0 C-N-CA 123.577 2.852 . . . . 15.0 115.882 -176.77 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -75.62 129.68 37.55 Favored 'General case' 0 C--N 1.288 -2.086 0 CA-C-N 111.241 -2.709 . . . . 15.0 110.687 -172.048 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 88.63 -0.17 82.53 Favored Glycine 0 N--CA 1.451 -0.346 0 CA-C-N 115.662 -0.699 . . . . 15.0 111.423 -176.656 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.665 ' CD1' ' HB2' ' A' ' 14' ' ' PRO . 26.2 m95 -90.92 117.12 29.27 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-O 121.338 0.589 . . . . 15.0 110.043 175.775 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.602 ' O ' ' HA ' ' A' ' 29' ' ' PHE . 11.8 mm-40 -105.03 149.45 25.79 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-N 115.25 -0.886 . . . . 15.0 111.039 -177.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.533 HG22 ' CD2' ' A' ' 29' ' ' PHE . 8.9 t -125.57 90.01 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.297 0 CA-C-N 114.758 -1.11 . . . . 15.0 108.988 178.215 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.677 ' O ' ' HA ' ' A' ' 27' ' ' PRO . 21.9 ttm180 -102.46 144.83 30.41 Favored 'General case' 0 C--N 1.318 -0.775 0 C-N-CA 120.635 -0.426 . . . . 15.0 109.914 -177.402 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.462 ' HA ' ' O ' ' A' ' 26' ' ' ARG . 0.3 OUTLIER -99.53 109.59 22.11 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 108.234 -1.024 . . . . 15.0 108.234 179.074 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.12 164.75 12.5 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-N 116.507 -0.315 . . . . 15.0 110.321 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -59.06 -18.36 43.03 Favored 'Trans proline' 0 C--N 1.35 0.626 0 C-N-CA 122.522 2.148 . . . . 15.0 113.25 -178.46 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 32.3 p-10 -80.41 -10.23 59.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.664 0.745 . . . . 15.0 109.263 177.49 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.3 38.24 7.86 Favored Glycine 0 N--CA 1.438 -1.169 0 CA-C-N 114.793 -1.094 . . . . 15.0 113.077 177.683 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.462 ' O ' ' HA ' ' A' ' 21' ' ' HIS . 6.5 mmp_? -123.25 142.0 37.44 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 122.735 -0.273 . . . . 15.0 110.678 175.404 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.677 ' HA ' ' O ' ' A' ' 20' ' ' ARG . 95.3 Cg_endo -87.76 113.54 0.87 Allowed 'Trans proline' 0 C--O 1.233 0.268 0 C-N-CA 122.329 2.02 . . . . 15.0 112.2 172.869 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.415 ' H ' ' HD1' ' A' ' 28' ' ' PHE . 0.8 OUTLIER -104.35 123.21 47.0 Favored 'General case' 0 N--CA 1.441 -0.918 0 CA-C-N 114.001 -1.454 . . . . 15.0 108.435 174.253 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.602 ' HA ' ' O ' ' A' ' 18' ' ' GLU . 8.2 m-85 -89.59 124.22 34.36 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.556 -0.747 . . . . 15.0 109.472 -174.781 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.863 HG21 ' HB3' ' B' ' 117' ' ' TYR . 21.3 mt -107.58 133.31 52.72 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.044 0 CA-C-N 115.396 -0.82 . . . . 15.0 110.529 -179.631 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.665 ' O ' ' HA ' ' A' ' 35' ' ' LYS . 13.0 t70 -89.95 114.85 26.74 Favored 'General case' 0 C--N 1.304 -1.384 0 N-CA-C 108.088 -1.079 . . . . 15.0 108.088 169.69 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.553 ' CE1' ' HB2' ' B' ' 117' ' ' TYR . 12.0 m170 -95.56 4.24 53.34 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 116.038 -0.528 . . . . 15.0 110.549 -174.725 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 24.5 m-80 -89.85 -64.01 1.2 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.024 -0.535 . . . . 15.0 110.319 179.389 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.441 ' O ' ' HB3' ' A' ' 35' ' ' LYS . 23.4 m -100.51 -21.67 15.25 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.728 -0.669 . . . . 15.0 109.947 -178.084 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.688 ' HD3' ' HE1' ' B' ' 117' ' ' TYR . 37.4 ttpt 82.6 98.47 0.05 OUTLIER 'General case' 0 CA--C 1.514 -0.412 0 CA-C-N 114.367 -1.288 . . . . 15.0 112.146 178.346 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -150.68 149.97 30.5 Favored 'General case' 0 C--N 1.309 -1.159 0 CA-C-N 113.337 -1.756 . . . . 15.0 108.827 174.478 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.611 ' HB ' ' HG2' ' B' ' 114' ' ' PRO . 4.8 p -126.45 131.46 51.67 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.155 0.502 . . . . 15.0 111.781 178.838 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.522 ' OG1' ' HG3' ' A' ' 40' ' ' GLU . 4.9 t -147.96 150.14 33.47 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.756 -0.656 . . . . 15.0 110.185 -177.362 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 57.7 m95 -90.18 -4.87 56.99 Favored 'General case' 0 CA--C 1.512 -0.514 0 CA-C-O 120.885 0.374 . . . . 15.0 110.844 -177.345 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.522 ' HG3' ' OG1' ' A' ' 38' ' ' THR . 0.7 OUTLIER -105.43 156.99 17.67 Favored 'General case' 0 N--CA 1.438 -1.035 0 CA-C-N 115.979 -0.555 . . . . 15.0 110.957 -173.524 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 1.011 ' HB3' HD13 ' A' ' 44' ' ' LEU . 5.1 t0 -93.49 130.42 35.42 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-N 115.606 -0.725 . . . . 15.0 111.961 -161.829 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -75.21 -12.01 21.1 Favored 'Trans proline' 0 C--N 1.351 0.706 0 C-N-CA 122.655 2.237 . . . . 15.0 113.269 178.043 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.473 ' HD2' ' CE2' ' A' ' 12' ' ' PHE . 64.1 mtm180 -74.17 -19.1 60.67 Favored 'General case' 0 CA--C 1.511 -0.539 0 CA-C-O 122.209 1.004 . . . . 15.0 109.536 177.522 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 1.011 HD13 ' HB3' ' A' ' 41' ' ' ASP . 4.7 mp -77.66 -9.46 58.98 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-N 113.611 -1.631 . . . . 15.0 110.364 -179.512 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.5 mptp? . . . . . 0 C--O 1.25 1.08 0 CA-C-N 114.759 -1.11 . . . . 15.0 110.507 -178.641 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 61.2 tt0 . . . . . 0 N--CA 1.479 1.006 0 N-CA-C 110.299 -0.26 . . . . 15.0 110.299 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 15.5 pt -54.9 115.23 8.44 Favored Pre-proline 0 CA--C 1.539 0.527 0 O-C-N 123.615 0.572 . . . . 15.0 112.43 -177.533 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 114' ' ' PRO . . . . . 0.611 ' HG2' ' HB ' ' A' ' 37' ' ' THR . 9.3 Cg_endo -78.0 138.35 16.37 Favored 'Trans proline' 0 CA--C 1.534 0.478 0 C-N-CA 122.529 2.153 . . . . 15.0 112.675 178.841 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 115' ' ' PRO . . . . . 0.45 ' HA ' ' HD2' ' B' ' 116' ' ' PRO . 81.1 Cg_exo -51.71 126.35 19.48 Favored 'Trans proline' 0 N--CA 1.477 0.537 0 C-N-CA 123.779 2.986 . . . . 15.0 114.243 174.249 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 116' ' ' PRO . . . . . 0.45 ' HD2' ' HA ' ' B' ' 115' ' ' PRO . 7.9 Cg_endo -49.84 -179.47 0.02 OUTLIER 'Trans proline' 0 N--CA 1.419 -2.909 1 C-N-CA 125.331 4.021 . . . . 15.0 115.193 166.769 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 117' ' ' TYR . . . . . 0.863 ' HB3' HG21 ' A' ' 30' ' ' ILE . 14.4 p90 -77.62 143.83 37.93 Favored 'General case' 0 C--N 1.248 -3.813 1 CA-C-N 105.876 -5.147 . . . . 15.0 110.67 -178.674 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 51.0 t -106.33 -38.52 4.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 108.9 -0.778 . . . . 15.0 108.9 175.357 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 119' ' ' GLU . . . . . 0.456 ' HA ' ' HD3' ' B' ' 120' ' ' PRO . 0.0 OUTLIER -95.98 128.36 37.58 Favored Pre-proline 0 C--N 1.32 -0.712 0 CA-C-N 114.647 -1.16 . . . . 15.0 109.429 177.194 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 120' ' ' PRO . . . . . 0.456 ' HD3' ' HA ' ' B' ' 119' ' ' GLU . 23.3 Cg_exo . . . . . 0 C--O 1.25 1.094 0 C-N-CA 122.615 2.21 . . . . 15.0 112.163 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 45.4 t80 . . . . . 0 N--CA 1.482 1.132 0 CA-C-O 121.41 0.624 . . . . 15.0 110.789 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.4 HD13 ' HA ' ' A' ' 13' ' ' LEU . 3.8 mm? -111.22 148.5 38.84 Favored Pre-proline 0 C--N 1.326 -0.447 0 CA-C-N 116.184 -0.462 . . . . 15.0 110.601 -179.471 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.742 ' HB2' ' CD1' ' A' ' 17' ' ' TRP . 13.0 Cg_exo -49.72 151.14 8.18 Favored 'Trans proline' 0 CA--C 1.496 -1.381 0 C-N-CA 124.193 3.262 . . . . 15.0 115.518 173.456 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 38.5 ttmt -63.01 124.81 22.05 Favored 'General case' 0 C--N 1.289 -2.065 0 CA-C-N 111.425 -2.625 . . . . 15.0 110.654 -173.362 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 87.25 -5.45 85.08 Favored Glycine 0 N--CA 1.451 -0.339 0 CA-C-N 116.042 -0.526 . . . . 15.0 112.146 -177.874 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.742 ' CD1' ' HB2' ' A' ' 14' ' ' PRO . 48.5 m95 -89.85 114.36 26.1 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.355 -0.609 . . . . 15.0 109.355 175.111 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.662 ' O ' ' HA ' ' A' ' 29' ' ' PHE . 5.7 mm-40 -106.99 144.88 32.98 Favored 'General case' 0 C--N 1.31 -1.141 0 CA-C-N 115.151 -0.931 . . . . 15.0 111.756 -174.589 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.501 HG22 ' CD2' ' A' ' 29' ' ' PHE . 10.2 t -118.93 96.0 4.08 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.176 0 CA-C-N 114.195 -1.366 . . . . 15.0 109.76 -177.477 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.617 ' O ' ' HA ' ' A' ' 27' ' ' PRO . 0.3 OUTLIER -113.07 130.28 56.22 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 120.615 -0.434 . . . . 15.0 110.211 -179.125 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.431 ' CE1' ' HD3' ' A' ' 27' ' ' PRO . 1.0 OUTLIER -91.0 110.21 21.47 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.325 -0.991 . . . . 15.0 108.325 176.934 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.15 166.07 11.67 Favored Pre-proline 0 C--N 1.327 -0.401 0 O-C-N 123.215 0.322 . . . . 15.0 110.345 -179.199 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -60.33 -17.8 49.08 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.668 2.246 . . . . 15.0 113.107 177.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 30.3 p30 -80.05 -10.19 59.75 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.141 -0.688 . . . . 15.0 109.141 174.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 83.03 36.88 13.78 Favored Glycine 0 N--CA 1.439 -1.113 0 CA-C-N 114.972 -1.013 . . . . 15.0 112.546 178.428 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 8.7 mpt_? -114.3 129.62 24.71 Favored Pre-proline 0 C--N 1.319 -0.746 0 N-CA-C 109.659 -0.497 . . . . 15.0 109.659 173.207 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.617 ' HA ' ' O ' ' A' ' 20' ' ' ARG . 56.7 Cg_endo -88.91 99.94 0.37 Allowed 'Trans proline' 0 N--CA 1.447 -1.208 0 C-N-CA 121.802 1.668 . . . . 15.0 110.523 173.394 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.424 ' H ' ' HD1' ' A' ' 28' ' ' PHE . 1.2 p90 -94.27 121.88 36.24 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-N 114.259 -1.337 . . . . 15.0 109.357 -178.47 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.662 ' HA ' ' O ' ' A' ' 18' ' ' GLU . 16.2 m-85 -89.79 117.33 28.55 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 115.572 -0.74 . . . . 15.0 109.768 -174.078 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.949 HG21 ' HB3' ' B' ' 117' ' ' TYR . 20.7 mt -102.17 133.64 45.15 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.996 0 CA-C-N 115.425 -0.807 . . . . 15.0 110.173 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.411 ' O ' ' HA ' ' A' ' 35' ' ' LYS . 16.4 t70 -89.97 110.04 21.03 Favored 'General case' 0 C--N 1.302 -1.495 0 N-CA-C 108.27 -1.011 . . . . 15.0 108.27 171.653 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.504 ' NE2' ' HB ' ' A' ' 30' ' ' ILE . 12.3 m170 -90.48 6.21 44.43 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.42 -0.809 . . . . 15.0 110.284 -174.592 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 29.5 m-80 -90.08 -71.67 0.6 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.723 -0.671 . . . . 15.0 110.417 176.777 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.5 m -98.7 -8.35 26.28 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.62 -0.718 . . . . 15.0 110.16 -173.609 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.411 ' HA ' ' O ' ' A' ' 31' ' ' ASP . 63.4 mttt 76.71 97.44 0.07 Allowed 'General case' 0 CA--C 1.514 -0.42 0 CA-C-N 114.584 -1.189 . . . . 15.0 111.271 179.285 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -150.22 150.56 31.73 Favored 'General case' 0 C--N 1.311 -1.1 0 CA-C-N 113.801 -1.545 . . . . 15.0 109.148 -175.493 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.976 ' HB ' ' HB2' ' B' ' 114' ' ' PRO . 10.7 p -132.73 129.92 39.32 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-O 120.968 0.413 . . . . 15.0 111.375 178.545 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 12.6 t -150.34 149.94 30.77 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 116.014 -0.539 . . . . 15.0 109.726 -176.88 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 25.2 m95 -97.22 -25.68 15.2 Favored 'General case' 0 CA--C 1.509 -0.603 0 CA-C-O 121.902 0.858 . . . . 15.0 109.711 177.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.455 ' CD ' ' H ' ' A' ' 40' ' ' GLU . 2.3 pm0 -86.61 126.66 34.66 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 114.299 -1.319 . . . . 15.0 110.358 -173.902 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -53.79 128.43 54.21 Favored Pre-proline 0 C--N 1.317 -0.816 0 CA-C-N 114.504 -1.226 . . . . 15.0 111.851 -174.518 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -65.16 -10.2 24.8 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.793 2.328 . . . . 15.0 112.011 176.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 20.4 mmm180 -72.89 -9.83 59.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.86 -0.609 . . . . 15.0 111.293 179.546 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 88.7 mt -78.86 -9.96 59.65 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.607 0.718 . . . . 15.0 110.764 178.355 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.467 ' HA ' ' HD2' ' A' ' 45' ' ' LYS . 12.5 tptp . . . . . 0 C--N 1.31 -1.114 0 CA-C-N 114.874 -1.057 . . . . 15.0 110.705 179.754 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? . . . . . 0 N--CA 1.476 0.859 0 N-CA-C 109.771 -0.455 . . . . 15.0 109.771 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 70.7 mt 68.19 98.36 0.04 OUTLIER Pre-proline 0 N--CA 1.467 0.384 0 C-N-CA 123.274 0.63 . . . . 15.0 111.42 -178.457 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 114' ' ' PRO . . . . . 0.976 ' HB2' ' HB ' ' A' ' 37' ' ' THR . 3.1 Cg_exo -74.78 122.07 7.07 Favored 'Trans proline' 0 N--CA 1.461 -0.391 0 C-N-CA 122.62 2.213 . . . . 15.0 112.027 178.169 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 115' ' ' PRO . . . . . 0.411 ' HA ' ' HD2' ' B' ' 116' ' ' PRO . 35.6 Cg_exo -61.44 125.16 16.18 Favored 'Trans proline' 0 CA--C 1.53 0.304 0 C-N-CA 122.724 2.283 . . . . 15.0 113.114 174.256 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 116' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' B' ' 115' ' ' PRO . 8.2 Cg_endo -49.21 -179.55 0.01 OUTLIER 'Trans proline' 0 N--CA 1.415 -3.129 0 C-N-CA 125.15 3.9 . . . . 15.0 114.932 167.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 117' ' ' TYR . . . . . 0.949 ' HB3' HG21 ' A' ' 30' ' ' ILE . 2.4 p90 -96.96 137.06 36.62 Favored 'General case' 1 C--N 1.239 -4.214 1 CA-C-N 105.854 -5.157 . . . . 15.0 109.736 179.414 . . . . . . . . 4 3 . 1 . 016 nuclear build full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 11.0 p -118.11 -13.2 10.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-O 121.776 0.798 . . . . 15.0 108.949 173.182 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 119' ' ' GLU . . . . . 0.483 ' CD ' HH22 ' A' ' 20' ' ' ARG . 2.4 pm0 -84.35 114.25 53.67 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 114.819 -1.082 . . . . 15.0 111.245 -179.789 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 120' ' ' PRO . . . . . . . . . . . . . 8.2 Cg_exo . . . . . 0 C--O 1.245 0.834 0 C-N-CA 123.481 2.787 . . . . 15.0 111.769 179.446 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 62.4 t80 . . . . . 0 N--CA 1.478 0.958 0 CA-C-O 121.254 0.549 . . . . 15.0 110.964 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.1 pp -120.11 153.44 55.39 Favored Pre-proline 0 C--N 1.32 -0.71 0 CA-C-N 116.328 -0.396 . . . . 15.0 109.992 -179.602 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.779 ' HB2' ' CD1' ' A' ' 17' ' ' TRP . 92.4 Cg_exo -50.0 151.29 8.86 Favored 'Trans proline' 0 CA--C 1.496 -1.394 0 C-N-CA 124.146 3.231 . . . . 15.0 116.043 -176.58 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 50.7 mtpt -70.72 142.94 51.44 Favored 'General case' 0 C--N 1.287 -2.109 0 CA-C-N 111.054 -2.794 . . . . 15.0 110.106 -175.548 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 71.35 3.69 54.16 Favored Glycine 0 C--N 1.322 -0.2 0 CA-C-N 116.181 -0.463 . . . . 15.0 112.652 -178.423 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.779 ' CD1' ' HB2' ' A' ' 14' ' ' PRO . 15.5 m95 -90.03 113.01 24.62 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.313 0.577 . . . . 15.0 110.247 177.63 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.544 ' O ' ' HA ' ' A' ' 29' ' ' PHE . 2.4 mm-40 -108.86 149.03 29.72 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.377 -0.829 . . . . 15.0 111.558 -176.649 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.528 HG22 ' CD2' ' A' ' 29' ' ' PHE . 12.9 t -117.38 97.96 6.07 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.185 0 CA-C-N 114.745 -1.116 . . . . 15.0 109.176 179.741 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.76 ' O ' ' HA ' ' A' ' 27' ' ' PRO . 5.6 tpp180 -111.61 146.04 38.11 Favored 'General case' 0 C--N 1.316 -0.85 0 C-N-CA 120.764 -0.374 . . . . 15.0 110.062 -179.06 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.627 ' CE1' ' HD3' ' A' ' 27' ' ' PRO . 0.0 OUTLIER -101.49 112.8 25.45 Favored 'General case' 0 C--N 1.314 -0.975 0 N-CA-C 108.117 -1.068 . . . . 15.0 108.117 178.937 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.419 ' HB3' ' OD1' ' A' ' 24' ' ' ASN . . . -65.14 159.5 64.71 Favored Pre-proline 0 C--N 1.321 -0.633 0 N-CA-C 109.479 -0.563 . . . . 15.0 109.479 177.335 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -59.87 -13.28 21.85 Favored 'Trans proline' 0 CA--C 1.532 0.405 0 C-N-CA 122.531 2.154 . . . . 15.0 113.391 -177.424 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.419 ' OD1' ' HB3' ' A' ' 22' ' ' ALA . 29.8 p-10 -80.51 -11.31 59.69 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 109.316 -0.624 . . . . 15.0 109.316 176.351 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 95.75 26.24 12.05 Favored Glycine 0 N--CA 1.44 -1.054 0 CA-C-N 115.345 -0.843 . . . . 15.0 113.142 175.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 26.9 mmm180 -122.13 139.36 30.37 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 122.651 -0.323 . . . . 15.0 111.291 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.76 ' HA ' ' O ' ' A' ' 20' ' ' ARG . 98.5 Cg_endo -88.26 117.17 1.0 Allowed 'Trans proline' 0 N--CA 1.46 -0.489 0 C-N-CA 122.601 2.201 . . . . 15.0 112.442 175.448 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.498 ' H ' ' HD1' ' A' ' 28' ' ' PHE . 0.3 OUTLIER -105.35 124.0 48.81 Favored 'General case' 0 N--CA 1.436 -1.147 0 CA-C-N 113.546 -1.661 . . . . 15.0 108.099 174.804 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.544 ' HA ' ' O ' ' A' ' 18' ' ' GLU . 11.5 m-85 -89.7 114.09 25.69 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 109.203 -0.665 . . . . 15.0 109.203 -174.573 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.716 HG21 ' HB3' ' B' ' 117' ' ' TYR . 21.6 mt -94.86 127.93 46.45 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.164 0 CA-C-N 115.308 -0.86 . . . . 15.0 110.596 -176.876 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -90.09 104.32 16.9 Favored 'General case' 0 C--N 1.303 -1.416 0 CA-C-N 114.626 -1.17 . . . . 15.0 108.259 170.77 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.439 ' NE2' ' HB ' ' A' ' 30' ' ' ILE . 11.4 m170 -84.63 2.44 41.53 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.485 -0.78 . . . . 15.0 110.583 -173.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 12.2 m-80 -90.08 -57.68 2.77 Favored 'General case' 0 C--O 1.23 0.071 0 CA-C-O 121.135 0.493 . . . . 15.0 110.562 179.203 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.419 ' O ' ' HB2' ' A' ' 35' ' ' LYS . 0.6 OUTLIER -102.03 1.06 36.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.884 -0.598 . . . . 15.0 110.678 -175.827 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.779 ' HG3' ' HE1' ' B' ' 117' ' ' TYR . 0.8 OUTLIER 69.72 31.57 3.52 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 115.66 -0.7 . . . . 15.0 110.562 179.651 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -92.77 150.49 20.61 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.948 -0.569 . . . . 15.0 110.293 -178.838 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.831 ' HB ' ' HB2' ' B' ' 114' ' ' PRO . 14.0 p -131.98 135.95 46.94 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 120.994 0.426 . . . . 15.0 111.395 178.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.525 ' OG1' ' HG3' ' A' ' 40' ' ' GLU . 9.9 t -150.12 150.14 31.25 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.087 -0.506 . . . . 15.0 110.236 -178.259 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.452 ' CZ3' ' HB3' ' A' ' 28' ' ' PHE . 62.8 m95 -91.25 -16.22 27.95 Favored 'General case' 0 CA--C 1.508 -0.671 0 CA-C-O 121.073 0.463 . . . . 15.0 110.441 178.536 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.525 ' HG3' ' OG1' ' A' ' 38' ' ' THR . 1.2 pp20? -91.53 158.07 16.66 Favored 'General case' 0 N--CA 1.438 -1.035 0 CA-C-N 115.775 -0.648 . . . . 15.0 110.859 -172.507 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -87.77 130.69 45.9 Favored Pre-proline 0 C--N 1.318 -0.776 0 CA-C-N 115.289 -0.869 . . . . 15.0 111.353 -165.163 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -63.64 -9.9 20.1 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.954 2.436 . . . . 15.0 112.008 175.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 21.1 mmm-85 -60.56 -24.38 65.37 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.069 0.462 . . . . 15.0 110.301 177.132 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 91.0 mt -80.42 -9.45 59.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.697 -0.683 . . . . 15.0 110.696 178.708 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 42.4 mttp . . . . . 0 C--N 1.309 -1.153 0 CA-C-N 114.638 -1.164 . . . . 15.0 109.965 -176.861 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.479 1.009 0 CA-C-O 120.56 0.219 . . . . 15.0 110.746 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 48.3 mm 62.4 102.62 0.04 OUTLIER Pre-proline 0 N--CA 1.468 0.43 0 CA-C-N 115.718 -0.673 . . . . 15.0 112.525 176.639 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 114' ' ' PRO . . . . . 0.831 ' HB2' ' HB ' ' A' ' 37' ' ' THR . 11.8 Cg_exo -70.63 131.47 20.06 Favored 'Trans proline' 0 CA--C 1.53 0.278 0 C-N-CA 123.004 2.47 . . . . 15.0 111.51 173.898 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 115' ' ' PRO . . . . . 0.467 ' HA ' ' HD2' ' B' ' 116' ' ' PRO . 50.6 Cg_exo -58.09 129.32 32.52 Favored 'Trans proline' 0 CA--C 1.531 0.343 0 C-N-CA 122.806 2.338 . . . . 15.0 112.988 173.877 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 116' ' ' PRO . . . . . 0.467 ' HD2' ' HA ' ' B' ' 115' ' ' PRO . 7.0 Cg_endo -49.15 -179.46 0.01 OUTLIER 'Trans proline' 0 N--CA 1.414 -3.162 0 C-N-CA 125.005 3.804 . . . . 15.0 114.579 167.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 117' ' ' TYR . . . . . 0.779 ' HE1' ' HG3' ' A' ' 35' ' ' LYS . 23.1 p90 -71.93 119.8 16.62 Favored 'General case' 1 C--N 1.24 -4.175 1 CA-C-N 106.002 -5.09 . . . . 15.0 110.274 -179.217 . . . . . . . . 4 3 . 1 . 017 nuclear build full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 11.2 p -90.3 -8.29 10.67 Favored 'Isoleucine or valine' 0 C--O 1.234 0.273 0 CA-C-O 121.735 0.779 . . . . 15.0 109.595 178.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 119' ' ' GLU . . . . . 0.435 ' HA ' ' HD3' ' B' ' 120' ' ' PRO . 18.4 mt-10 -83.46 121.89 76.77 Favored Pre-proline 0 C--N 1.323 -0.557 0 CA-C-N 114.828 -1.078 . . . . 15.0 110.268 -179.367 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 120' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' B' ' 119' ' ' GLU . 2.8 Cg_endo . . . . . 0 C--O 1.249 1.072 0 C-N-CA 122.755 2.304 . . . . 15.0 111.316 177.02 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 53.1 p90 . . . . . 0 N--CA 1.484 1.255 0 CA-C-O 120.753 0.311 . . . . 15.0 111.197 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.731 HD12 ' HG2' ' A' ' 42' ' ' PRO . 3.2 mm? -74.07 154.42 88.61 Favored Pre-proline 0 C--N 1.329 -0.321 0 N-CA-C 109.966 -0.383 . . . . 15.0 109.966 179.166 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.726 ' HB2' ' CD1' ' A' ' 17' ' ' TRP . 16.2 Cg_exo -49.26 150.9 7.05 Favored 'Trans proline' 0 CA--C 1.491 -1.635 0 C-N-CA 123.995 3.13 . . . . 15.0 115.434 176.861 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.78 135.7 55.24 Favored 'General case' 0 C--N 1.285 -2.208 0 CA-C-N 111.74 -2.482 . . . . 15.0 110.233 -172.413 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 79.14 -8.67 44.15 Favored Glycine 0 CA--C 1.522 0.495 0 CA-C-N 115.311 -0.859 . . . . 15.0 112.685 -173.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.726 ' CD1' ' HB2' ' A' ' 14' ' ' PRO . 53.5 m95 -89.87 115.96 27.58 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.283 -0.636 . . . . 15.0 109.283 175.03 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.526 ' O ' ' HA ' ' A' ' 29' ' ' PHE . 33.7 mm-40 -114.15 145.79 41.18 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-O 121.62 0.724 . . . . 15.0 112.234 -176.551 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.456 HG22 ' CD2' ' A' ' 29' ' ' PHE . 8.2 t -109.68 94.6 3.21 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.055 0 CA-C-N 114.231 -1.35 . . . . 15.0 109.72 -179.644 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.682 ' O ' ' HA ' ' A' ' 27' ' ' PRO . 13.5 ttm180 -107.76 146.33 32.31 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.161 -0.681 . . . . 15.0 109.161 177.299 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.476 ' CE1' ' HD3' ' A' ' 27' ' ' PRO . 1.2 t60 -111.7 116.5 30.85 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.852 -0.795 . . . . 15.0 108.852 -173.765 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.07 165.29 13.78 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 116.308 -0.406 . . . . 15.0 110.957 -178.76 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_exo -60.33 -22.96 73.0 Favored 'Trans proline' 0 C--N 1.35 0.611 0 C-N-CA 122.758 2.305 . . . . 15.0 113.291 -178.674 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 28.2 p30 -80.21 -10.15 59.75 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.781 0.8 . . . . 15.0 109.419 176.655 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 83.82 46.9 5.81 Favored Glycine 0 N--CA 1.433 -1.509 0 CA-C-N 114.553 -1.203 . . . . 15.0 112.294 -179.429 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 33.1 mmt180 -120.01 127.3 26.44 Favored Pre-proline 0 C--N 1.322 -0.627 0 N-CA-C 109.277 -0.638 . . . . 15.0 109.277 171.402 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.682 ' HA ' ' O ' ' A' ' 20' ' ' ARG . 97.9 Cg_endo -88.38 106.62 0.51 Allowed 'Trans proline' 0 N--CA 1.451 -0.977 0 C-N-CA 121.768 1.645 . . . . 15.0 111.913 176.799 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.618 ' H ' ' HD1' ' A' ' 28' ' ' PHE . 0.3 OUTLIER -92.34 122.61 34.96 Favored 'General case' 0 N--CA 1.438 -1.028 0 CA-C-N 113.65 -1.614 . . . . 15.0 108.471 176.877 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.526 ' HA ' ' O ' ' A' ' 18' ' ' GLU . 39.1 m-85 -89.7 113.46 24.97 Favored 'General case' 0 CA--C 1.504 -0.813 0 N-CA-C 109.141 -0.689 . . . . 15.0 109.141 -174.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.453 HG21 ' HB3' ' B' ' 117' ' ' TYR . 36.2 mt -93.59 126.2 46.05 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.14 0 CA-C-N 114.856 -1.066 . . . . 15.0 110.164 -178.068 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -90.07 105.83 18.07 Favored 'General case' 0 C--N 1.304 -1.409 0 N-CA-C 108.174 -1.047 . . . . 15.0 108.174 170.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.402 ' HD2' ' O ' ' A' ' 30' ' ' ILE . 13.7 m-70 -83.9 0.04 49.37 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 114.957 -1.02 . . . . 15.0 110.153 -173.711 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 23.4 m-80 -90.1 -72.83 0.55 Allowed 'General case' 0 C--O 1.233 0.184 0 CA-C-N 115.899 -0.591 . . . . 15.0 110.749 179.658 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.0 m -94.67 -2.52 51.1 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.13 0.49 . . . . 15.0 110.648 -173.741 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.8 mppt? 67.82 83.19 0.17 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.381 -0.827 . . . . 15.0 110.516 -176.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -136.29 150.26 48.82 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 114.553 -1.203 . . . . 15.0 108.639 179.366 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' THR . . . . . 1.031 ' HB ' ' HB2' ' B' ' 114' ' ' PRO . 4.3 p -140.04 127.03 20.83 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 120.94 0.4 . . . . 15.0 111.618 -176.237 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.401 ' OG1' ' HG3' ' A' ' 40' ' ' GLU . 9.2 t -150.07 150.17 31.34 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.081 -0.509 . . . . 15.0 109.973 -178.475 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 60.9 m95 -89.1 -11.74 43.14 Favored 'General case' 0 CA--C 1.514 -0.41 0 CA-C-O 120.902 0.382 . . . . 15.0 110.585 -178.831 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.401 ' HG3' ' OG1' ' A' ' 38' ' ' THR . 0.2 OUTLIER -104.8 160.09 15.27 Favored 'General case' 0 N--CA 1.441 -0.885 0 CA-C-O 121.456 0.646 . . . . 15.0 111.596 -171.055 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.726 ' HB3' ' HG3' ' A' ' 43' ' ' ARG . 6.4 m-20 -83.6 128.2 64.82 Favored Pre-proline 0 C--N 1.318 -0.767 0 CA-C-N 114.825 -1.079 . . . . 15.0 112.41 -167.064 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.731 ' HG2' HD12 ' A' ' 13' ' ' LEU . 34.9 Cg_endo -65.37 -9.74 23.37 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 123.128 2.552 . . . . 15.0 112.223 175.601 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.726 ' HG3' ' HB3' ' A' ' 41' ' ' ASP . 15.8 mtt180 -63.2 -14.68 51.91 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 116.207 -0.451 . . . . 15.0 110.514 -179.101 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 60.0 mt -79.81 -9.73 59.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.72 0.772 . . . . 15.0 111.255 -176.793 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 22.7 tptp . . . . . 0 C--N 1.308 -1.198 0 CA-C-N 114.892 -1.049 . . . . 15.0 110.082 -179.123 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 93.2 mt-30 . . . . . 0 N--CA 1.477 0.894 0 CA-C-O 120.788 0.328 . . . . 15.0 110.735 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 43.1 mm -117.61 113.04 38.59 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 116.044 -0.525 . . . . 15.0 109.604 178.126 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 114' ' ' PRO . . . . . 1.031 ' HB2' ' HB ' ' A' ' 37' ' ' THR . 3.0 Cg_exo -70.46 122.14 8.64 Favored 'Trans proline' 0 N--CA 1.458 -0.569 0 C-N-CA 121.956 1.771 . . . . 15.0 111.727 177.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 115' ' ' PRO . . . . . 0.571 ' HD2' ' CD2' ' A' ' 28' ' ' PHE . 97.1 Cg_endo -82.4 128.88 5.65 Favored 'Trans proline' 0 N--CA 1.462 -0.339 0 C-N-CA 122.648 2.232 . . . . 15.0 113.007 178.03 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 116' ' ' PRO . . . . . 0.498 ' HD2' ' HA ' ' B' ' 115' ' ' PRO . 6.4 Cg_endo -48.92 -179.71 0.01 OUTLIER 'Trans proline' 0 N--CA 1.414 -3.153 0 C-N-CA 125.054 3.836 . . . . 15.0 115.284 172.601 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 117' ' ' TYR . . . . . 0.453 ' HB3' HG21 ' A' ' 30' ' ' ILE . 31.4 p90 -63.82 135.73 56.84 Favored 'General case' 0 C--N 1.246 -3.922 1 CA-C-N 105.706 -5.224 . . . . 15.0 110.797 -176.056 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 42.6 t -100.29 -24.53 4.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 108.923 -0.769 . . . . 15.0 108.923 177.085 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 119' ' ' GLU . . . . . 0.417 ' HA ' ' HD3' ' B' ' 120' ' ' PRO . 18.5 mp0 -65.33 115.95 26.39 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 114.588 -1.187 . . . . 15.0 111.03 -176.479 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 120' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' B' ' 119' ' ' GLU . 32.0 Cg_exo . . . . . 0 C--O 1.25 1.116 0 C-N-CA 123.343 2.695 . . . . 15.0 112.641 -178.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 35.5 p90 . . . . . 0 N--CA 1.48 1.066 0 CA-C-O 120.589 0.233 . . . . 15.0 111.407 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.9 mp -114.91 154.35 47.0 Favored Pre-proline 0 C--O 1.235 0.302 0 CA-C-O 121.055 0.455 . . . . 15.0 111.696 -178.343 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.731 ' HB2' ' CD1' ' A' ' 17' ' ' TRP . 13.4 Cg_exo -49.57 151.24 7.61 Favored 'Trans proline' 0 CA--C 1.495 -1.472 0 C-N-CA 124.564 3.51 . . . . 15.0 115.169 169.112 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.1 mptt -63.38 123.61 19.16 Favored 'General case' 0 C--N 1.287 -2.135 0 CA-C-N 111.522 -2.581 . . . . 15.0 110.732 -173.424 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 87.89 -3.85 85.82 Favored Glycine 0 C--O 1.227 -0.301 0 CA-C-N 115.387 -0.824 . . . . 15.0 112.578 -178.427 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.731 ' CD1' ' HB2' ' A' ' 14' ' ' PRO . 40.9 m95 -89.89 113.62 25.27 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.137 0.494 . . . . 15.0 109.873 176.711 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.639 ' O ' ' HA ' ' A' ' 29' ' ' PHE . 12.7 mm-40 -113.26 148.68 35.09 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.421 -0.809 . . . . 15.0 112.137 -175.208 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.534 HG22 ' CD2' ' A' ' 29' ' ' PHE . 5.6 t -118.35 109.38 26.92 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.061 0 CA-C-N 114.583 -1.19 . . . . 15.0 109.8 178.644 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.774 ' O ' ' HA ' ' A' ' 27' ' ' PRO . 33.2 ttm180 -127.15 149.96 49.72 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.964 -0.384 . . . . 15.0 109.964 176.5 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.603 ' CE1' ' HD3' ' A' ' 27' ' ' PRO . 0.1 OUTLIER -103.09 110.67 22.7 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 108.929 -0.767 . . . . 15.0 108.929 -175.618 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.01 159.06 58.8 Favored Pre-proline 0 C--N 1.321 -0.641 0 N-CA-C 110.001 -0.37 . . . . 15.0 110.001 177.305 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -56.45 -15.84 16.56 Favored 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 123.032 2.488 . . . . 15.0 114.191 -176.342 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 29.8 p-10 -80.18 -14.87 58.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.344 0.592 . . . . 15.0 109.734 177.535 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 97.52 29.37 7.87 Favored Glycine 0 N--CA 1.439 -1.163 0 CA-C-N 115.265 -0.88 . . . . 15.0 112.67 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.446 HH11 ' HD3' ' A' ' 26' ' ' ARG . 23.8 mmt180 -119.31 134.16 23.75 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 122.62 -0.341 . . . . 15.0 111.361 177.718 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.774 ' HA ' ' O ' ' A' ' 20' ' ' ARG . 82.0 Cg_endo -88.55 111.27 0.62 Allowed 'Trans proline' 0 N--CA 1.456 -0.686 0 C-N-CA 122.56 2.173 . . . . 15.0 111.806 175.302 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.534 ' H ' ' HD1' ' A' ' 28' ' ' PHE . 0.4 OUTLIER -96.05 122.26 38.69 Favored 'General case' 0 N--CA 1.437 -1.075 0 CA-C-N 113.931 -1.486 . . . . 15.0 108.784 177.295 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.639 ' HA ' ' O ' ' A' ' 18' ' ' GLU . 15.6 m-85 -89.62 109.39 20.35 Favored 'General case' 0 N--CA 1.44 -0.932 0 N-CA-C 108.674 -0.862 . . . . 15.0 108.674 -176.277 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.718 HG21 ' HB3' ' B' ' 117' ' ' TYR . 32.5 mt -93.82 130.26 43.02 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.083 0 CA-C-N 115.185 -0.916 . . . . 15.0 110.314 -176.369 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -90.02 102.69 15.4 Favored 'General case' 0 C--N 1.306 -1.294 0 N-CA-C 108.262 -1.014 . . . . 15.0 108.262 170.318 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.497 ' NE2' ' HB ' ' A' ' 30' ' ' ILE . 12.0 m170 -80.84 2.99 24.08 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.1 -0.955 . . . . 15.0 110.703 -173.077 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 30.5 m-80 -89.7 -61.77 1.62 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.231 -0.44 . . . . 15.0 110.249 177.061 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.2 m -94.26 3.66 54.93 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-N 116.042 -0.526 . . . . 15.0 111.07 -175.331 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.577 ' HG3' ' CE1' ' B' ' 117' ' ' TYR . 12.8 mptt 67.61 25.5 8.26 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 115.928 -0.578 . . . . 15.0 111.065 176.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 59.9 p -103.6 150.08 24.3 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.195 -0.457 . . . . 15.0 110.596 -175.508 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.521 ' HB ' ' HB2' ' B' ' 114' ' ' PRO . 1.2 p -127.57 148.66 50.35 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 112.355 0.502 . . . . 15.0 112.355 -176.5 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 9.0 t -150.21 150.13 31.15 Favored 'General case' 0 C--O 1.222 -0.368 0 CA-C-N 115.857 -0.611 . . . . 15.0 109.681 177.278 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.443 ' CZ2' ' HG3' ' B' ' 112' ' ' GLN . 81.8 m95 -88.55 -13.85 39.09 Favored 'General case' 0 CA--C 1.508 -0.655 0 CA-C-O 121.039 0.447 . . . . 15.0 110.547 178.826 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -104.49 157.42 17.17 Favored 'General case' 0 N--CA 1.436 -1.138 0 CA-C-O 121.458 0.647 . . . . 15.0 111.202 -169.697 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -79.49 136.18 56.29 Favored Pre-proline 0 C--N 1.317 -0.828 0 CA-C-N 115.01 -0.996 . . . . 15.0 111.809 -166.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_endo -64.97 -9.83 23.02 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.493 2.129 . . . . 15.0 111.857 175.452 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.463 ' HD3' ' HA ' ' A' ' 43' ' ' ARG . 29.4 mmt180 -80.37 -9.57 59.75 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.644 -0.707 . . . . 15.0 110.98 177.67 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 88.9 mt -74.28 -9.89 59.05 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-O 121.679 0.752 . . . . 15.0 110.617 176.71 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 9.2 mptt . . . . . 0 C--N 1.311 -1.073 0 CA-C-N 114.66 -1.154 . . . . 15.0 109.592 176.195 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 112' ' ' GLN . . . . . 0.443 ' HG3' ' CZ2' ' A' ' 39' ' ' TRP . 27.6 tp60 . . . . . 0 N--CA 1.477 0.882 0 N-CA-C 109.808 -0.441 . . . . 15.0 109.808 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 113' ' ' ILE . . . . . 0.853 ' H ' HD13 ' B' ' 113' ' ' ILE . 0.2 OUTLIER -76.76 128.49 81.6 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-N 116.265 -0.425 . . . . 15.0 111.001 179.521 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 114' ' ' PRO . . . . . 0.521 ' HB2' ' HB ' ' A' ' 37' ' ' THR . 57.4 Cg_endo -84.02 122.89 3.03 Favored 'Trans proline' 0 N--CA 1.458 -0.595 0 C-N-CA 122.753 2.302 . . . . 15.0 112.518 175.651 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 115' ' ' PRO . . . . . 0.448 ' HA ' ' HD2' ' B' ' 116' ' ' PRO . 51.5 Cg_exo -58.96 126.41 21.0 Favored 'Trans proline' 0 N--CA 1.475 0.422 0 C-N-CA 123.191 2.594 . . . . 15.0 113.555 175.464 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 116' ' ' PRO . . . . . 0.448 ' HD2' ' HA ' ' B' ' 115' ' ' PRO . 7.9 Cg_endo -49.47 -179.41 0.01 OUTLIER 'Trans proline' 0 N--CA 1.413 -3.222 0 C-N-CA 124.868 3.712 . . . . 15.0 114.602 165.483 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 117' ' ' TYR . . . . . 0.718 ' HB3' HG21 ' A' ' 30' ' ' ILE . 11.2 p90 -74.48 119.89 19.29 Favored 'General case' 1 C--N 1.242 -4.092 1 CA-C-N 106.153 -5.021 . . . . 15.0 109.951 179.927 . . . . . . . . 4 3 . 1 . 019 nuclear build full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 8.9 t -90.5 -0.17 8.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 122.024 0.916 . . . . 15.0 109.14 178.853 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 119' ' ' GLU . . . . . 0.469 ' CD ' HH22 ' A' ' 20' ' ' ARG . 5.3 mm-40 -73.22 122.3 87.3 Favored Pre-proline 0 C--N 1.324 -0.523 0 CA-C-N 114.619 -1.173 . . . . 15.0 110.57 -177.794 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 120' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' B' ' 119' ' ' GLU . 14.7 Cg_exo . . . . . 0 C--O 1.25 1.117 0 C-N-CA 123.166 2.577 . . . . 15.0 111.975 177.266 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 63.2 t80 . . . . . 0 N--CA 1.483 1.19 0 CA-C-O 121.486 0.66 . . . . 15.0 110.847 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.2 mp -109.36 158.55 34.22 Favored Pre-proline 0 C--N 1.316 -0.859 0 CA-C-N 116.223 -0.444 . . . . 15.0 110.464 -179.716 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.737 ' HB2' ' CD1' ' A' ' 17' ' ' TRP . 7.3 Cg_exo -49.54 151.19 7.6 Favored 'Trans proline' 0 CA--C 1.492 -1.599 0 C-N-CA 123.939 3.093 . . . . 15.0 114.943 171.465 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 19.9 pttm -57.06 133.72 55.21 Favored 'General case' 0 C--N 1.289 -2.045 0 CA-C-N 111.489 -2.596 . . . . 15.0 110.941 -172.783 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 74.22 1.0 59.17 Favored Glycine 0 C--N 1.319 -0.41 0 CA-C-N 115.571 -0.74 . . . . 15.0 113.644 -179.717 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.737 ' CD1' ' HB2' ' A' ' 14' ' ' PRO . 49.1 m95 -89.89 114.58 26.39 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 117.571 0.686 . . . . 15.0 110.236 178.062 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.549 ' O ' ' HA ' ' A' ' 29' ' ' PHE . 2.8 mm-40 -113.86 149.98 34.27 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.275 -0.875 . . . . 15.0 112.096 -175.114 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.484 HG22 ' CD2' ' A' ' 29' ' ' PHE . 12.7 t -118.02 112.74 39.75 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.941 0 CA-C-N 114.489 -1.232 . . . . 15.0 109.574 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.723 ' O ' ' HA ' ' A' ' 27' ' ' PRO . 8.8 ttm180 -128.76 140.41 51.74 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 120.794 -0.362 . . . . 15.0 110.202 177.881 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.642 ' CE1' ' HD3' ' A' ' 27' ' ' PRO . 0.0 OUTLIER -89.97 114.84 26.74 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.324 -0.621 . . . . 15.0 109.324 175.918 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.47 163.66 56.73 Favored Pre-proline 0 C--N 1.322 -0.595 0 N-CA-C 109.462 -0.57 . . . . 15.0 109.462 175.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_exo -57.63 -13.1 13.0 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.766 2.311 . . . . 15.0 113.598 -178.317 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 35.0 p-10 -80.56 -18.16 49.21 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-O 121.198 0.523 . . . . 15.0 110.041 -179.413 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 104.33 10.92 32.72 Favored Glycine 0 N--CA 1.441 -0.996 0 C-N-CA 120.75 -0.738 . . . . 15.0 112.872 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 10.7 mmm180 -111.5 141.56 24.78 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-O 120.84 0.353 . . . . 15.0 111.497 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.723 ' HA ' ' O ' ' A' ' 20' ' ' ARG . 81.3 Cg_endo -88.66 120.11 1.15 Allowed 'Trans proline' 0 N--CA 1.454 -0.798 0 C-N-CA 122.544 2.162 . . . . 15.0 111.585 171.154 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.478 ' H ' ' HD1' ' A' ' 28' ' ' PHE . 0.3 OUTLIER -105.38 122.88 46.89 Favored 'General case' 0 C--N 1.313 -0.998 0 CA-C-N 114.195 -1.366 . . . . 15.0 108.383 176.284 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.549 ' HA ' ' O ' ' A' ' 18' ' ' GLU . 4.0 m-85 -89.86 118.68 29.62 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.606 -0.725 . . . . 15.0 109.386 -174.463 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.693 HG21 ' HB3' ' B' ' 117' ' ' TYR . 22.0 mt -102.9 133.91 45.39 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.905 0 CA-C-N 115.396 -0.82 . . . . 15.0 111.02 -176.052 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -89.92 109.85 20.84 Favored 'General case' 0 C--N 1.31 -1.116 0 N-CA-C 108.002 -1.111 . . . . 15.0 108.002 169.238 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.465 ' NE2' ' HB ' ' A' ' 30' ' ' ILE . 11.9 m170 -89.27 6.57 39.72 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.826 -0.625 . . . . 15.0 110.706 -174.302 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 28.2 m-80 -90.06 -61.0 1.78 Allowed 'General case' 0 N--CA 1.462 0.173 0 CA-C-O 120.998 0.427 . . . . 15.0 110.853 179.433 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 21.5 m -107.13 -8.55 16.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.506 0.669 . . . . 15.0 110.332 -176.216 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.534 ' NZ ' ' HB3' ' A' ' 35' ' ' LYS . 0.0 OUTLIER 72.46 82.84 0.13 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 114.864 -1.062 . . . . 15.0 110.446 179.422 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 7.6 p -141.87 150.11 41.13 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.789 -1.096 . . . . 15.0 108.622 173.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.929 ' HB ' ' HB2' ' B' ' 114' ' ' PRO . 3.5 p -130.55 138.37 50.15 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.171 0.51 . . . . 15.0 112.359 -173.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 7.0 t -150.11 147.0 27.24 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 115.672 -0.695 . . . . 15.0 109.228 179.111 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 31.4 m95 -88.76 -28.69 20.33 Favored 'General case' 0 CA--C 1.508 -0.656 0 CA-C-O 121.73 0.776 . . . . 15.0 110.241 -179.249 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.468 ' CD ' ' H ' ' A' ' 40' ' ' GLU . 2.3 pm0 -84.64 126.83 33.7 Favored 'General case' 0 C--N 1.31 -1.122 0 CA-C-N 114.162 -1.381 . . . . 15.0 110.701 -173.487 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -52.03 133.27 39.93 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 114.234 -1.348 . . . . 15.0 111.531 -174.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_endo -63.93 -11.52 27.5 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.795 2.33 . . . . 15.0 112.69 179.506 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 39.1 mmt180 -80.02 -9.91 59.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.317 -0.401 . . . . 15.0 110.91 178.161 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 90.6 mt -76.68 -9.73 58.87 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.412 0.625 . . . . 15.0 111.54 -178.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 56.3 tttm . . . . . 0 C--N 1.309 -1.173 0 CA-C-N 115.245 -0.889 . . . . 15.0 110.147 -178.383 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 10.6 tp60 . . . . . 0 N--CA 1.478 0.938 0 N-CA-C 109.711 -0.477 . . . . 15.0 109.711 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 70.2 mt -81.19 112.13 30.36 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 116.618 -0.265 . . . . 15.0 110.471 178.443 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 114' ' ' PRO . . . . . 0.929 ' HB2' ' HB ' ' A' ' 37' ' ' THR . 6.3 Cg_exo -72.13 129.48 15.18 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 122.196 1.931 . . . . 15.0 112.321 177.481 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 115' ' ' PRO . . . . . 0.475 ' HA ' ' HD2' ' B' ' 116' ' ' PRO . 53.2 Cg_exo -57.36 130.21 38.05 Favored 'Trans proline' 0 CA--C 1.53 0.306 0 C-N-CA 122.907 2.405 . . . . 15.0 113.046 173.301 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 116' ' ' PRO . . . . . 0.475 ' HD2' ' HA ' ' B' ' 115' ' ' PRO . 6.6 Cg_endo -48.92 -179.47 0.01 OUTLIER 'Trans proline' 0 N--CA 1.415 -3.137 0 C-N-CA 124.764 3.643 . . . . 15.0 114.835 167.6 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 117' ' ' TYR . . . . . 0.693 ' HB3' HG21 ' A' ' 30' ' ' ILE . 30.8 p90 -71.32 148.37 47.15 Favored 'General case' 0 C--N 1.244 -3.987 1 CA-C-N 105.997 -5.092 . . . . 15.0 110.558 -177.66 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 39.2 t -110.74 -28.18 2.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-O 121.594 0.711 . . . . 15.0 109.289 175.287 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 119' ' ' GLU . . . . . 0.458 ' HA ' ' HD3' ' B' ' 120' ' ' PRO . 1.6 mp0 -76.62 119.21 76.41 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-N 114.935 -1.029 . . . . 15.0 110.359 -179.664 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 120' ' ' PRO . . . . . 0.458 ' HD3' ' HA ' ' B' ' 119' ' ' GLU . 2.9 Cg_exo . . . . . 0 C--O 1.251 1.166 0 C-N-CA 123.128 2.552 . . . . 15.0 111.968 -179.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.93 HD11 HG23 ' A' ' 19' ' ' VAL . 81.9 mt . . . . . 0 CA--C 1.514 -0.431 0 CA-C-O 121.07 0.462 . . . . 15.0 111.413 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.765 ' HB2' ' CD1' ' A' ' 17' ' ' TRP . 1.3 Cg_exo -49.57 151.12 7.77 Favored 'Trans proline' 0 CA--C 1.495 -1.473 0 C-N-CA 123.675 2.917 . . . . 15.0 113.988 160.023 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -61.04 121.17 11.77 Favored 'General case' 0 C--N 1.284 -2.272 0 CA-C-N 111.582 -2.554 . . . . 15.0 110.495 -171.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.18 10.94 77.03 Favored Glycine 0 N--CA 1.452 -0.264 0 CA-C-N 115.82 -0.627 . . . . 15.0 112.788 179.436 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.765 ' CD1' ' HB2' ' A' ' 14' ' ' PRO . 37.0 m95 -96.24 139.98 31.59 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.212 0.529 . . . . 15.0 111.111 178.29 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.664 ' O ' ' HA ' ' A' ' 29' ' ' PHE . 0.9 OUTLIER -122.31 150.28 42.58 Favored 'General case' 0 CA--C 1.504 -0.794 0 CA-C-N 115.332 -0.849 . . . . 15.0 111.643 -178.233 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.93 HG23 HD11 ' A' ' 13' ' ' LEU . 33.9 t -122.72 90.09 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.487 0 CA-C-N 113.881 -1.508 . . . . 15.0 108.05 170.017 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.753 ' O ' ' HA ' ' A' ' 27' ' ' PRO . 19.9 ttm180 -115.01 141.3 48.19 Favored 'General case' 0 C--N 1.319 -0.735 0 C-N-CA 120.603 -0.439 . . . . 15.0 110.326 -176.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.627 ' HD2' ' N ' ' A' ' 27' ' ' PRO . 0.1 OUTLIER -98.0 113.54 25.42 Favored 'General case' 0 C--N 1.315 -0.907 0 N-CA-C 108.512 -0.922 . . . . 15.0 108.512 -178.582 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.409 ' HB3' ' OD1' ' A' ' 24' ' ' ASN . . . -66.95 162.24 55.1 Favored Pre-proline 0 C--N 1.322 -0.621 0 N-CA-C 109.465 -0.568 . . . . 15.0 109.465 177.129 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -59.28 -11.42 13.22 Favored 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 122.727 2.285 . . . . 15.0 113.368 -178.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.409 ' OD1' ' HB3' ' A' ' 22' ' ' ALA . 16.6 p30 -80.54 -11.42 59.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.431 0.634 . . . . 15.0 109.847 175.705 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 88.36 28.06 23.49 Favored Glycine 0 N--CA 1.438 -1.176 0 CA-C-N 115.177 -0.92 . . . . 15.0 112.658 179.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -121.06 133.86 24.25 Favored Pre-proline 0 C--N 1.321 -0.638 0 O-C-N 122.669 -0.312 . . . . 15.0 110.377 178.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.753 ' HA ' ' O ' ' A' ' 20' ' ' ARG . 83.3 Cg_endo -88.81 112.64 0.63 Allowed 'Trans proline' 0 N--CA 1.456 -0.68 0 C-N-CA 122.295 1.997 . . . . 15.0 112.154 176.559 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.534 ' HD1' ' H ' ' A' ' 28' ' ' PHE . 0.5 OUTLIER -100.36 125.21 46.58 Favored 'General case' 0 N--CA 1.442 -0.871 0 CA-C-N 113.795 -1.548 . . . . 15.0 108.932 177.451 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.664 ' HA ' ' O ' ' A' ' 18' ' ' GLU . 9.0 m-85 -89.94 115.22 27.08 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.828 -0.624 . . . . 15.0 109.858 -174.609 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.92 HG21 ' HB3' ' B' ' 117' ' ' TYR . 18.7 mt -97.59 137.72 24.43 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-N 115.71 -0.677 . . . . 15.0 111.075 -177.159 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.412 ' HB3' ' OG1' ' A' ' 36' ' ' THR . 8.4 t70 -100.52 106.22 17.73 Favored 'General case' 0 C--N 1.311 -1.079 0 N-CA-C 108.494 -0.928 . . . . 15.0 108.494 168.345 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.413 ' CE1' ' HB2' ' B' ' 117' ' ' TYR . 12.1 m170 -81.68 0.99 36.24 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 114.81 -1.086 . . . . 15.0 111.181 -171.047 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 26.5 m-80 -90.12 -60.18 2.0 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.973 -0.558 . . . . 15.0 110.787 -179.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.8 m -101.29 16.05 26.81 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.342 -0.39 . . . . 15.0 111.424 -173.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.878 ' HD3' ' HE1' ' B' ' 117' ' ' TYR . 70.0 mmtt 66.24 21.38 11.06 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 116.204 -0.453 . . . . 15.0 111.292 175.607 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.412 ' OG1' ' HB3' ' A' ' 31' ' ' ASP . 47.1 p -97.86 150.16 21.59 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.781 -0.367 . . . . 15.0 110.644 -173.599 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.718 ' HB ' ' HG2' ' B' ' 114' ' ' PRO . 4.2 p -133.23 142.46 48.58 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.665 0.269 . . . . 15.0 111.094 179.63 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.683 ' OG1' ' HG3' ' A' ' 40' ' ' GLU . 8.8 t -150.11 150.28 31.46 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.418 -0.356 . . . . 15.0 110.823 -178.465 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 62.5 m95 -89.4 -10.68 45.62 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.097 0.475 . . . . 15.0 110.381 179.322 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.683 ' HG3' ' OG1' ' A' ' 38' ' ' THR . 2.6 pp20? -95.04 159.04 15.2 Favored 'General case' 0 N--CA 1.443 -0.812 0 CA-C-N 115.731 -0.668 . . . . 15.0 109.969 -174.752 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.451 ' HA ' ' HD2' ' A' ' 42' ' ' PRO . 38.8 t0 -114.98 118.69 40.21 Favored Pre-proline 0 C--N 1.32 -0.687 0 CA-C-N 116.118 -0.492 . . . . 15.0 111.552 -169.001 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.451 ' HD2' ' HA ' ' A' ' 41' ' ' ASP . 28.0 Cg_endo -63.14 -17.64 61.16 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 123.341 2.694 . . . . 15.0 112.216 176.794 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.414 ' HB3' ' OD2' ' A' ' 41' ' ' ASP . 26.0 ttp180 -77.42 -24.5 50.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.908 -0.587 . . . . 15.0 110.926 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 84.4 mt -77.35 -9.85 59.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.532 0.682 . . . . 15.0 111.348 -177.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.307 -1.254 0 CA-C-N 114.926 -1.034 . . . . 15.0 108.847 179.236 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 . . . . . 0 N--CA 1.481 1.086 0 N-CA-C 109.757 -0.461 . . . . 15.0 109.757 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 113' ' ' ILE . . . . . 0.728 HD13 ' H ' ' B' ' 113' ' ' ILE . 0.2 OUTLIER -107.07 125.03 33.51 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 120.918 0.39 . . . . 15.0 111.952 -172.905 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 114' ' ' PRO . . . . . 0.718 ' HG2' ' HB ' ' A' ' 37' ' ' THR . 50.5 Cg_endo -84.06 128.81 4.44 Favored 'Trans proline' 0 N--CA 1.458 -0.569 0 C-N-CA 122.785 2.323 . . . . 15.0 112.274 175.637 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 115' ' ' PRO . . . . . 0.448 ' HA ' ' HD2' ' B' ' 116' ' ' PRO . 52.4 Cg_exo -55.49 127.36 25.88 Favored 'Trans proline' 0 N--CA 1.477 0.514 0 C-N-CA 123.053 2.502 . . . . 15.0 113.912 176.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 116' ' ' PRO . . . . . 0.448 ' HD2' ' HA ' ' B' ' 115' ' ' PRO . 7.9 Cg_endo -49.67 -179.58 0.02 OUTLIER 'Trans proline' 0 N--CA 1.416 -3.068 0 C-N-CA 125.017 3.811 . . . . 15.0 115.076 167.124 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 117' ' ' TYR . . . . . 0.92 ' HB3' HG21 ' A' ' 30' ' ' ILE . 3.0 p90 -93.1 139.42 30.59 Favored 'General case' 1 C--N 1.243 -4.031 1 CA-C-N 105.807 -5.179 . . . . 15.0 110.421 -178.969 . . . . . . . . 4 3 . 1 . 001 nuclear nobuild core ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 45.7 t -106.03 -43.82 7.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 121.658 0.742 . . . . 15.0 109.049 172.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 119' ' ' GLU . . . . . 0.521 ' CD ' ' H ' ' B' ' 119' ' ' GLU . 1.5 pm0 . . . . . 0 C--N 1.321 -0.652 0 CA-C-N 114.765 -1.107 . . . . 15.0 110.561 178.433 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.431 HD13 ' HA ' ' A' ' 13' ' ' LEU . 3.9 mm? . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.724 0.297 . . . . 15.0 110.949 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.751 ' HB2' ' CD1' ' A' ' 17' ' ' TRP . 5.7 Cg_exo -49.8 151.44 8.11 Favored 'Trans proline' 0 CA--C 1.498 -1.288 0 C-N-CA 124.522 3.481 . . . . 15.0 115.27 171.306 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 53.7 tttm -52.51 120.42 5.59 Favored 'General case' 0 C--N 1.296 -1.74 0 CA-C-N 111.355 -2.657 . . . . 15.0 111.47 -173.506 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 82.31 3.32 90.59 Favored Glycine 0 N--CA 1.45 -0.401 0 CA-C-N 115.948 -0.569 . . . . 15.0 112.922 176.374 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.751 ' CD1' ' HB2' ' A' ' 14' ' ' PRO . 45.6 m95 -90.05 122.49 33.09 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.411 0.624 . . . . 15.0 110.454 177.616 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.729 ' O ' ' HA ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -106.76 150.34 26.4 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 115.188 -0.914 . . . . 15.0 110.708 -178.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.542 HG22 ' CD2' ' A' ' 29' ' ' PHE . 13.9 t -132.21 89.94 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.486 0 CA-C-N 114.575 -1.193 . . . . 15.0 108.956 176.725 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.706 ' O ' ' HA ' ' A' ' 27' ' ' PRO . 15.7 ttm180 -117.58 147.28 42.98 Favored 'General case' 0 C--N 1.316 -0.886 0 C-N-CA 120.455 -0.498 . . . . 15.0 110.086 -177.314 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.648 ' HD2' ' N ' ' A' ' 27' ' ' PRO . 0.1 OUTLIER -104.76 109.79 21.88 Favored 'General case' 0 C--N 1.31 -1.136 0 N-CA-C 108.15 -1.056 . . . . 15.0 108.15 -173.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.08 163.67 22.47 Favored Pre-proline 0 C--N 1.323 -0.582 0 O-C-N 123.284 0.365 . . . . 15.0 110.25 -179.218 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_exo -58.14 -15.13 21.85 Favored 'Trans proline' 0 C--N 1.35 0.637 0 C-N-CA 122.684 2.256 . . . . 15.0 113.47 -178.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 19.5 p30 -80.43 -10.07 59.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.346 0.593 . . . . 15.0 109.693 176.504 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 86.78 27.83 28.1 Favored Glycine 0 N--CA 1.439 -1.156 0 CA-C-N 115.21 -0.905 . . . . 15.0 112.704 178.68 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -117.78 134.37 23.25 Favored Pre-proline 0 C--N 1.326 -0.452 0 N-CA-C 110.082 -0.34 . . . . 15.0 110.082 177.705 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.706 ' HA ' ' O ' ' A' ' 20' ' ' ARG . 98.9 Cg_endo -88.81 117.83 0.91 Allowed 'Trans proline' 0 N--CA 1.456 -0.705 0 C-N-CA 122.451 2.1 . . . . 15.0 112.208 176.365 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.453 ' CE2' HD11 ' A' ' 30' ' ' ILE . 1.1 p90 -104.61 121.76 44.21 Favored 'General case' 0 N--CA 1.437 -1.106 0 CA-C-N 114.155 -1.384 . . . . 15.0 108.924 177.738 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.729 ' HA ' ' O ' ' A' ' 18' ' ' GLU . 6.6 m-85 -89.71 118.33 29.24 Favored 'General case' 0 N--CA 1.442 -0.87 0 CA-C-N 115.576 -0.738 . . . . 15.0 109.345 -176.648 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.895 HG21 ' HB3' ' B' ' 117' ' ' TYR . 14.3 mt -105.1 136.74 37.6 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.937 0 CA-C-N 115.833 -0.622 . . . . 15.0 110.794 -177.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.546 ' HB3' ' HB ' ' A' ' 36' ' ' THR . 0.4 OUTLIER -89.99 109.76 20.78 Favored 'General case' 0 C--N 1.309 -1.191 0 CA-C-N 114.891 -1.05 . . . . 15.0 108.596 169.821 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.571 ' NE2' ' HB ' ' A' ' 30' ' ' ILE . 13.0 m170 -93.31 1.89 56.8 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.024 -0.989 . . . . 15.0 110.753 -173.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 13.3 m-80 -84.6 -22.74 29.89 Favored 'General case' 0 CA--C 1.516 -0.351 0 N-CA-C 109.416 -0.587 . . . . 15.0 109.416 177.34 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.767 HG22 ' HG3' ' A' ' 35' ' ' LYS . 24.8 m -135.54 -79.08 0.43 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.743 -0.662 . . . . 15.0 111.064 179.125 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.767 ' HG3' HG22 ' A' ' 34' ' ' THR . 0.0 OUTLIER 173.99 24.45 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 111.621 0.23 . . . . 15.0 111.621 -178.148 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.546 ' HB ' ' HB3' ' A' ' 31' ' ' ASP . 1.0 OUTLIER -89.83 150.44 22.24 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 120.517 -0.473 . . . . 15.0 110.426 -168.134 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 1.026 ' HB ' ' HB2' ' B' ' 114' ' ' PRO . 16.9 p -139.39 132.9 30.3 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.089 0.471 . . . . 15.0 111.709 -177.252 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.548 ' OG1' ' HG3' ' A' ' 40' ' ' GLU . 8.1 t -150.08 150.0 31.09 Favored 'General case' 0 C--O 1.221 -0.433 0 CA-C-N 116.034 -0.53 . . . . 15.0 110.198 -179.69 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 64.4 m95 -91.89 -14.19 30.04 Favored 'General case' 0 CA--C 1.511 -0.524 0 CA-C-O 121.441 0.639 . . . . 15.0 110.345 177.609 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.548 ' HG3' ' OG1' ' A' ' 38' ' ' THR . 0.3 OUTLIER -94.25 157.88 15.85 Favored 'General case' 0 N--CA 1.437 -1.125 0 CA-C-N 115.622 -0.717 . . . . 15.0 110.503 -173.424 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.674 ' OD1' ' HB3' ' A' ' 43' ' ' ARG . 10.0 t0 -98.49 128.99 31.36 Favored Pre-proline 0 C--N 1.316 -0.882 0 CA-C-N 115.609 -0.723 . . . . 15.0 111.233 -163.467 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -66.88 -12.75 37.27 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 123.001 2.467 . . . . 15.0 112.612 178.571 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.674 ' HB3' ' OD1' ' A' ' 41' ' ' ASP . 9.9 ttp180 -79.46 -14.91 58.59 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.806 0.812 . . . . 15.0 110.051 175.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 85.8 mt -78.65 -9.47 59.4 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.183 -0.917 . . . . 15.0 110.146 174.461 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt . . . . . 0 C--O 1.249 1.031 0 CA-C-N 114.667 -1.152 . . . . 15.0 109.724 178.011 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.48 1.041 0 N-CA-C 110.101 -0.333 . . . . 15.0 110.101 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 113' ' ' ILE . . . . . 0.417 ' H ' HG13 ' B' ' 113' ' ' ILE . 56.4 mt -45.9 118.32 4.28 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.073 0.858 . . . . 15.0 111.859 179.246 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 114' ' ' PRO . . . . . 1.026 ' HB2' ' HB ' ' A' ' 37' ' ' THR . 23.8 Cg_exo -62.96 132.87 38.75 Favored 'Trans proline' 0 CA--C 1.533 0.427 0 C-N-CA 122.648 2.232 . . . . 15.0 111.901 176.361 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 115' ' ' PRO . . . . . 0.415 ' HA ' ' HD2' ' B' ' 116' ' ' PRO . 39.1 Cg_exo -58.12 123.71 14.27 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.707 2.271 . . . . 15.0 113.074 175.03 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 116' ' ' PRO . . . . . 0.415 ' HD2' ' HA ' ' B' ' 115' ' ' PRO . 6.5 Cg_endo -48.86 -179.53 0.01 OUTLIER 'Trans proline' 0 N--CA 1.416 -3.072 0 C-N-CA 125.182 3.921 . . . . 15.0 114.602 167.853 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 117' ' ' TYR . . . . . 0.895 ' HB3' HG21 ' A' ' 30' ' ' ILE . 8.1 p90 -93.68 123.49 37.05 Favored 'General case' 1 C--N 1.239 -4.207 1 CA-C-N 105.964 -5.107 . . . . 15.0 110.149 -178.742 . . . . . . . . 4 3 . 1 . 002 nuclear nobuild core ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 27.6 m -98.31 -0.97 10.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.726 0.774 . . . . 15.0 109.475 173.601 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 . . . . . 0 C--N 1.321 -0.637 0 CA-C-N 114.564 -1.198 . . . . 15.0 110.087 -177.867 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.664 HD12 ' HG2' ' A' ' 42' ' ' PRO . 3.3 mm? . . . . . 0 C--O 1.237 0.403 0 N-CA-C 109.784 -0.45 . . . . 15.0 109.784 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.756 ' HB2' ' CD1' ' A' ' 17' ' ' TRP . 13.0 Cg_exo -49.87 151.3 8.47 Favored 'Trans proline' 0 CA--C 1.491 -1.667 0 C-N-CA 123.737 2.958 . . . . 15.0 114.697 170.151 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.454 ' HD3' ' HA ' ' A' ' 15' ' ' LYS . 27.4 mmtp -67.5 128.21 35.58 Favored 'General case' 0 C--N 1.283 -2.307 0 CA-C-N 112.01 -2.359 . . . . 15.0 111.225 -171.766 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.16 -4.53 85.39 Favored Glycine 0 C--O 1.225 -0.441 0 CA-C-N 114.903 -1.044 . . . . 15.0 112.216 -174.617 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.756 ' CD1' ' HB2' ' A' ' 14' ' ' PRO . 40.3 m95 -89.75 123.89 34.15 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.007 0.432 . . . . 15.0 109.861 176.025 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.449 ' O ' ' HA ' ' A' ' 29' ' ' PHE . 23.2 mt-10 -124.17 140.9 52.52 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-O 121.973 0.892 . . . . 15.0 112.261 -176.094 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.512 HG22 ' CD2' ' A' ' 29' ' ' PHE . 9.9 t -111.2 100.59 11.08 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.553 0 CA-C-N 113.851 -1.522 . . . . 15.0 109.654 -179.491 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.659 ' O ' ' HA ' ' A' ' 27' ' ' PRO . 0.1 OUTLIER -117.51 145.4 44.24 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.675 -0.491 . . . . 15.0 109.675 179.351 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.653 ' HD2' ' N ' ' A' ' 27' ' ' PRO . 1.3 m170 -90.02 113.25 24.9 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.173 -0.677 . . . . 15.0 109.173 176.084 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.24 164.86 55.91 Favored Pre-proline 0 C--N 1.32 -0.706 0 CA-C-N 116.231 -0.441 . . . . 15.0 110.01 177.132 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -56.3 -9.8 3.96 Favored 'Trans proline' 0 C--N 1.35 0.65 0 C-N-CA 123.248 2.632 . . . . 15.0 113.192 177.696 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 62.8 t30 -80.02 -9.99 59.74 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.667 -0.864 . . . . 15.0 108.667 178.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 83.87 33.09 22.27 Favored Glycine 0 N--CA 1.44 -1.07 0 CA-C-N 114.914 -1.039 . . . . 15.0 111.655 179.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.579 ' C ' ' HD2' ' A' ' 21' ' ' HIS . 29.4 mmt180 -140.59 146.51 45.12 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-O 120.598 0.237 . . . . 15.0 110.739 -173.693 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.659 ' HA ' ' O ' ' A' ' 20' ' ' ARG . 84.0 Cg_endo -88.29 112.61 0.72 Allowed 'Trans proline' 0 N--CA 1.46 -0.474 0 C-N-CA 122.754 2.303 . . . . 15.0 111.994 174.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.603 ' HD1' ' H ' ' A' ' 28' ' ' PHE . 0.4 OUTLIER -99.8 124.39 45.03 Favored 'General case' 0 N--CA 1.438 -1.032 0 CA-C-N 114.484 -1.234 . . . . 15.0 108.062 174.179 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.512 ' CD2' HG22 ' A' ' 19' ' ' VAL . 5.7 m-85 -89.74 113.53 25.06 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.422 -0.808 . . . . 15.0 109.096 -174.636 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.676 HG21 ' HB3' ' B' ' 117' ' ' TYR . 20.4 mt -98.65 130.65 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.3 0 CA-C-N 115.243 -0.889 . . . . 15.0 111.002 -177.802 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -90.35 103.32 16.01 Favored 'General case' 0 C--N 1.304 -1.39 0 CA-C-N 114.628 -1.169 . . . . 15.0 108.364 168.338 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.468 ' CD2' ' HB ' ' A' ' 30' ' ' ILE . 12.3 m-70 -81.24 1.77 30.84 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 114.792 -1.095 . . . . 15.0 110.828 -173.706 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 26.5 m-80 -89.11 -46.81 8.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 15.0 110.879 179.407 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -115.55 10.02 15.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.416 -0.357 . . . . 15.0 111.944 -173.636 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.516 ' HD3' ' CE2' ' B' ' 117' ' ' TYR . 0.0 OUTLIER 70.64 18.91 6.26 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 121.161 0.505 . . . . 15.0 110.742 176.513 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 69.7 p -97.97 150.28 21.53 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 121.976 -0.453 . . . . 15.0 110.73 -173.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.714 ' HB ' ' HB2' ' B' ' 114' ' ' PRO . 1.6 p -125.28 150.25 47.27 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.192 0.52 . . . . 15.0 112.124 -178.691 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 53.7 m -147.88 148.18 30.55 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.603 -0.726 . . . . 15.0 110.003 -176.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 93.2 m95 -90.69 -35.87 14.67 Favored 'General case' 0 CA--C 1.504 -0.825 0 CA-C-O 121.818 0.818 . . . . 15.0 110.578 177.229 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -88.08 160.9 17.61 Favored 'General case' 0 N--CA 1.431 -1.424 0 CA-C-N 114.411 -1.268 . . . . 15.0 110.888 -170.207 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.636 ' OD1' ' HB3' ' A' ' 43' ' ' ARG . 10.1 t70 -92.21 122.73 64.29 Favored Pre-proline 0 C--N 1.316 -0.863 0 CA-C-N 115.477 -0.783 . . . . 15.0 111.031 -163.665 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.664 ' HG2' HD12 ' A' ' 13' ' ' LEU . 38.5 Cg_endo -67.71 -12.38 35.31 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 123.041 2.494 . . . . 15.0 113.475 -176.494 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.636 ' HB3' ' OD1' ' A' ' 41' ' ' ASP . 0.6 OUTLIER -78.18 -20.19 52.42 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.717 0.77 . . . . 15.0 109.647 176.495 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 90.8 mt -74.83 -9.66 58.76 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 114.948 -1.024 . . . . 15.0 111.169 178.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 62.2 mttm . . . . . 0 C--O 1.251 1.172 0 CA-C-N 114.848 -1.069 . . . . 15.0 110.256 -179.841 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 . . . . . 0 N--CA 1.482 1.144 0 N-CA-C 110.262 -0.273 . . . . 15.0 110.262 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 113' ' ' ILE . . . . . 0.569 HD12 ' HD2' ' B' ' 114' ' ' PRO . 6.8 tp -153.95 120.13 2.82 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-N 116.516 -0.311 . . . . 15.0 110.667 -179.381 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 114' ' ' PRO . . . . . 0.714 ' HB2' ' HB ' ' A' ' 37' ' ' THR . 35.8 Cg_endo -87.8 119.69 1.33 Allowed 'Trans proline' 0 N--CA 1.453 -0.889 0 C-N-CA 122.272 1.982 . . . . 15.0 112.155 173.518 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 115' ' ' PRO . . . . . 0.475 ' HA ' ' HD2' ' B' ' 116' ' ' PRO . 36.9 Cg_exo -64.51 127.8 19.78 Favored 'Trans proline' 0 N--CA 1.475 0.411 0 C-N-CA 123.111 2.541 . . . . 15.0 113.245 174.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 116' ' ' PRO . . . . . 0.475 ' HD2' ' HA ' ' B' ' 115' ' ' PRO . 6.7 Cg_endo -48.94 -179.58 0.01 OUTLIER 'Trans proline' 0 N--CA 1.414 -3.165 0 C-N-CA 124.723 3.616 . . . . 15.0 114.746 169.38 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 117' ' ' TYR . . . . . 0.676 ' HB3' HG21 ' A' ' 30' ' ' ILE . 1.9 p90 -76.96 119.75 21.13 Favored 'General case' 1 C--N 1.239 -4.229 1 CA-C-N 106.221 -4.991 . . . . 15.0 110.408 -177.471 . . . . . . . . 4 3 . 1 . 003 nuclear nobuild core ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 11.2 p -100.68 -16.49 7.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 108.159 -1.052 . . . . 15.0 108.159 169.109 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 119' ' ' GLU . . . . . 0.466 ' O ' ' HD1' ' B' ' 117' ' ' TYR . 1.3 mm-40 . . . . . 0 C--N 1.324 -0.501 0 CA-C-N 114.177 -1.374 . . . . 15.0 109.09 178.635 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.68 HD12 ' HG2' ' A' ' 42' ' ' PRO . 3.2 mm? . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.381 0.134 . . . . 15.0 110.771 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.685 ' HB2' ' CD1' ' A' ' 17' ' ' TRP . 4.1 Cg_exo -49.38 151.26 7.04 Favored 'Trans proline' 0 CA--C 1.494 -1.494 0 C-N-CA 124.053 3.169 . . . . 15.0 115.211 167.751 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 20.7 pttp -60.32 140.41 57.12 Favored 'General case' 0 C--N 1.288 -2.069 0 CA-C-N 111.626 -2.534 . . . . 15.0 110.422 -173.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 75.57 -8.24 21.13 Favored Glycine 0 C--N 1.318 -0.453 0 CA-C-N 115.524 -0.762 . . . . 15.0 113.094 -176.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.685 ' CD1' ' HB2' ' A' ' 14' ' ' PRO . 62.1 m95 -89.84 112.65 24.05 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 117.476 0.638 . . . . 15.0 109.882 177.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.516 ' O ' ' HA ' ' A' ' 29' ' ' PHE . 41.8 mm-40 -108.83 146.16 34.12 Favored 'General case' 0 C--N 1.312 -1.041 0 CA-C-N 115.452 -0.794 . . . . 15.0 111.916 -175.109 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.514 HG22 ' CD2' ' A' ' 29' ' ' PHE . 16.3 t -113.06 101.72 12.9 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.02 0 CA-C-N 114.356 -1.293 . . . . 15.0 109.521 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.718 ' O ' ' HA ' ' A' ' 27' ' ' PRO . 20.5 tpp180 -116.56 144.9 43.8 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.761 -0.459 . . . . 15.0 109.761 179.132 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.564 ' HD2' ' N ' ' A' ' 27' ' ' PRO . 0.8 OUTLIER -107.82 110.04 21.74 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.673 -1.232 . . . . 15.0 107.673 -178.197 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.95 160.35 8.69 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 116.451 -0.341 . . . . 15.0 110.177 -178.675 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_exo -56.86 -18.4 27.41 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.494 2.129 . . . . 15.0 113.168 -178.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 20.6 p30 -80.45 -13.11 59.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.407 0.623 . . . . 15.0 109.82 177.534 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 88.39 37.62 7.52 Favored Glycine 0 N--CA 1.436 -1.359 0 CA-C-N 115.06 -0.973 . . . . 15.0 112.546 -179.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -120.67 126.59 26.65 Favored Pre-proline 0 C--N 1.321 -0.671 0 N-CA-C 109.3 -0.63 . . . . 15.0 109.3 173.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.718 ' HA ' ' O ' ' A' ' 20' ' ' ARG . 72.6 Cg_endo -89.01 117.53 0.84 Allowed 'Trans proline' 0 N--CA 1.453 -0.885 0 C-N-CA 122.226 1.951 . . . . 15.0 112.391 178.3 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.427 ' HD1' ' H ' ' A' ' 28' ' ' PHE . 0.7 OUTLIER -105.47 122.28 45.67 Favored 'General case' 0 N--CA 1.439 -1.022 0 CA-C-N 113.625 -1.625 . . . . 15.0 108.961 178.769 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.516 ' HA ' ' O ' ' A' ' 18' ' ' GLU . 7.2 m-85 -89.87 114.2 25.93 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.337 -0.616 . . . . 15.0 109.337 -175.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.728 HG21 ' HB3' ' B' ' 117' ' ' TYR . 17.3 mt -99.0 138.17 24.25 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 115.576 -0.738 . . . . 15.0 111.177 -175.301 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -92.31 112.82 24.91 Favored 'General case' 0 C--N 1.309 -1.188 0 CA-C-N 115.311 -0.859 . . . . 15.0 108.823 168.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.681 ' CE1' ' HB2' ' B' ' 117' ' ' TYR . 12.3 m170 -93.94 4.54 53.77 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.417 -0.811 . . . . 15.0 110.613 -175.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 22.0 m-80 -89.81 -63.59 1.26 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.048 0.451 . . . . 15.0 110.31 178.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.419 ' O ' ' HB3' ' A' ' 35' ' ' LYS . 11.0 m -106.57 -3.53 20.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.862 -0.608 . . . . 15.0 110.974 -174.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.588 ' HD2' ' HB3' ' B' ' 116' ' ' PRO . 4.9 tppp? 70.34 85.93 0.13 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.713 -0.676 . . . . 15.0 111.222 -179.074 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.8 p -143.68 150.04 38.12 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.558 -0.746 . . . . 15.0 109.059 172.145 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.981 ' HB ' ' HB2' ' B' ' 114' ' ' PRO . 33.2 p -127.88 137.48 52.34 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.097 0.475 . . . . 15.0 112.12 -175.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.514 ' OG1' ' HG3' ' A' ' 40' ' ' GLU . 9.7 t -150.14 150.08 31.15 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.85 -0.614 . . . . 15.0 109.79 178.715 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 67.0 m95 -90.31 -10.68 43.22 Favored 'General case' 0 CA--C 1.513 -0.451 0 CA-C-O 121.086 0.469 . . . . 15.0 109.899 178.073 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.514 ' HG3' ' OG1' ' A' ' 38' ' ' THR . 0.8 OUTLIER -104.53 157.4 17.19 Favored 'General case' 0 N--CA 1.441 -0.875 0 CA-C-N 115.543 -0.753 . . . . 15.0 110.407 -174.116 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -92.79 135.68 25.88 Favored Pre-proline 0 C--N 1.319 -0.76 0 N-CA-C 113.101 0.778 . . . . 15.0 113.101 -164.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.68 ' HG2' HD12 ' A' ' 13' ' ' LEU . 58.7 Cg_endo -73.22 -9.91 23.72 Favored 'Trans proline' 0 CA--C 1.531 0.367 0 C-N-CA 123.294 2.663 . . . . 15.0 112.817 176.54 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 16.1 tpp180 -76.71 -32.09 57.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.078 0.466 . . . . 15.0 110.75 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.447 ' HA ' HD23 ' A' ' 44' ' ' LEU . 9.6 mt -80.14 -9.41 59.71 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.923 -0.58 . . . . 15.0 112.167 -179.645 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.691 ' HE2' ' HA ' ' A' ' 45' ' ' LYS . 9.8 mmpt? . . . . . 0 C--O 1.25 1.084 0 CA-C-N 115.463 -0.789 . . . . 15.0 110.229 -179.702 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 27.2 mp0 . . . . . 0 N--CA 1.482 1.134 0 CA-C-O 120.616 0.246 . . . . 15.0 110.397 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 50.8 mm -98.97 110.99 59.71 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 116.121 -0.49 . . . . 15.0 110.566 -177.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 114' ' ' PRO . . . . . 0.981 ' HB2' ' HB ' ' A' ' 37' ' ' THR . 12.1 Cg_exo -68.05 128.04 17.0 Favored 'Trans proline' 0 CA--C 1.531 0.37 0 C-N-CA 122.569 2.18 . . . . 15.0 112.142 177.644 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 115' ' ' PRO . . . . . 0.458 ' HA ' ' HD2' ' B' ' 116' ' ' PRO . 31.7 Cg_exo -60.59 126.67 20.47 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.642 2.228 . . . . 15.0 112.747 173.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 116' ' ' PRO . . . . . 0.588 ' HB3' ' HD2' ' A' ' 35' ' ' LYS . 7.3 Cg_endo -49.21 -179.49 0.01 OUTLIER 'Trans proline' 0 N--CA 1.414 -3.151 0 C-N-CA 125.121 3.88 . . . . 15.0 114.919 169.033 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 117' ' ' TYR . . . . . 0.728 ' HB3' HG21 ' A' ' 30' ' ' ILE . 2.0 p90 -81.99 128.49 34.13 Favored 'General case' 0 C--N 1.244 -3.996 1 CA-C-N 105.993 -5.094 . . . . 15.0 110.12 -178.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 19.8 m -109.79 -12.06 11.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 121.532 0.682 . . . . 15.0 109.255 175.324 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 CA-C-N 114.962 -1.017 . . . . 15.0 109.255 176.159 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.495 ' HB2' ' HG2' ' A' ' 42' ' ' PRO . 4.4 pp . . . . . 0 CA--C 1.53 0.199 0 CA-C-O 120.582 0.229 . . . . 15.0 110.588 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.803 ' HB2' ' CD1' ' A' ' 17' ' ' TRP . 30.5 Cg_exo -49.72 151.23 8.08 Favored 'Trans proline' 0 CA--C 1.497 -1.329 0 C-N-CA 124.819 3.679 . . . . 15.0 116.748 -178.746 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.2 mtpm? -71.15 135.92 47.86 Favored 'General case' 0 C--N 1.293 -1.876 0 CA-C-N 111.061 -2.791 . . . . 15.0 110.562 -177.182 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 83.28 2.91 90.32 Favored Glycine 0 C--N 1.319 -0.397 0 CA-C-N 115.613 -0.721 . . . . 15.0 111.545 -177.114 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.803 ' CD1' ' HB2' ' A' ' 14' ' ' PRO . 26.5 m95 -93.58 111.32 22.97 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.51 0.672 . . . . 15.0 109.966 176.111 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.666 ' O ' ' HA ' ' A' ' 29' ' ' PHE . 4.9 mt-10 -99.76 150.17 22.6 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.128 -0.942 . . . . 15.0 111.482 -175.791 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.523 HG22 ' CD2' ' A' ' 29' ' ' PHE . 15.8 t -118.38 89.92 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.347 0 CA-C-N 114.622 -1.172 . . . . 15.0 109.113 175.38 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.632 ' O ' ' HA ' ' A' ' 27' ' ' PRO . 18.6 ttm180 -102.32 135.59 43.65 Favored 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 120.643 -0.423 . . . . 15.0 110.142 -178.766 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.615 ' HD2' ' N ' ' A' ' 27' ' ' PRO . 0.1 OUTLIER -91.46 110.44 21.75 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 108.107 -1.072 . . . . 15.0 108.107 175.957 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.19 164.81 12.53 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-N 116.446 -0.343 . . . . 15.0 110.499 -179.501 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_exo -60.3 -16.34 40.39 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.558 2.172 . . . . 15.0 113.145 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 26.4 p30 -80.27 -14.29 58.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.294 0.569 . . . . 15.0 109.834 175.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.91 37.89 5.92 Favored Glycine 0 N--CA 1.44 -1.063 0 CA-C-N 115.066 -0.97 . . . . 15.0 113.098 178.147 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.454 ' C ' ' HD2' ' A' ' 21' ' ' HIS . 23.2 mmt180 -127.21 138.38 32.63 Favored Pre-proline 0 C--N 1.326 -0.419 0 O-C-N 122.815 -0.227 . . . . 15.0 110.574 177.535 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.632 ' HA ' ' O ' ' A' ' 20' ' ' ARG . 94.3 Cg_endo -88.18 113.41 0.78 Allowed 'Trans proline' 0 C--N 1.343 0.252 0 C-N-CA 122.26 1.973 . . . . 15.0 112.475 175.54 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.459 ' HD1' ' H ' ' A' ' 28' ' ' PHE . 0.3 OUTLIER -105.01 126.7 52.35 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 114.378 -1.283 . . . . 15.0 108.703 174.935 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.666 ' HA ' ' O ' ' A' ' 18' ' ' GLU . 6.9 m-85 -89.94 114.38 26.18 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.654 -0.703 . . . . 15.0 109.434 -174.05 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.841 HG21 ' HB3' ' B' ' 117' ' ' TYR . 21.2 mt -96.65 127.77 48.48 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.876 0 CA-C-N 115.279 -0.873 . . . . 15.0 110.763 -177.057 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.456 ' HB3' ' O ' ' A' ' 36' ' ' THR . 1.8 t70 -90.97 104.64 17.2 Favored 'General case' 0 C--N 1.302 -1.494 0 CA-C-N 114.928 -1.033 . . . . 15.0 108.639 172.054 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.475 ' CE1' ' HB2' ' B' ' 117' ' ' TYR . 11.4 m170 -84.64 0.61 49.61 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.271 -0.877 . . . . 15.0 110.545 -174.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 28.2 m-80 -87.21 -69.9 0.65 Allowed 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 121.079 0.466 . . . . 15.0 110.041 177.394 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -83.64 -3.75 57.99 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.899 -0.591 . . . . 15.0 110.085 -178.436 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.52 ' HD2' ' CE1' ' B' ' 117' ' ' TYR . 70.1 mmtt 70.84 29.83 3.02 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 115.267 -0.879 . . . . 15.0 110.555 175.626 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.456 ' O ' ' HB3' ' A' ' 31' ' ' ASP . 61.4 p -106.76 150.2 26.55 Favored 'General case' 0 C--O 1.219 -0.517 0 CA-C-N 115.867 -0.606 . . . . 15.0 110.694 -176.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.635 ' HB ' ' HB2' ' B' ' 114' ' ' PRO . 2.5 p -121.48 141.09 51.36 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 121.905 -0.497 . . . . 15.0 112.161 -177.414 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.486 ' OG1' ' HG3' ' A' ' 40' ' ' GLU . 12.7 t -150.09 150.35 31.57 Favored 'General case' 0 C--O 1.224 -0.252 0 CA-C-N 116.253 -0.43 . . . . 15.0 110.364 178.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 52.4 m95 -89.84 -7.88 53.3 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.963 0.411 . . . . 15.0 110.952 -178.533 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.486 ' HG3' ' OG1' ' A' ' 38' ' ' THR . 0.9 OUTLIER -94.26 162.42 13.86 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 116.098 -0.501 . . . . 15.0 110.804 -172.529 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.759 ' HB3' ' HG2' ' A' ' 43' ' ' ARG . 2.1 m-20 -93.62 118.04 67.41 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 115.806 -0.634 . . . . 15.0 111.741 -170.308 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.495 ' HG2' ' HB2' ' A' ' 13' ' ' LEU . 56.4 Cg_endo -69.19 -9.62 26.81 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.639 2.226 . . . . 15.0 111.668 175.156 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.759 ' HG2' ' HB3' ' A' ' 41' ' ' ASP . 8.0 ptp85 -71.53 -26.82 62.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.047 -0.524 . . . . 15.0 110.884 177.102 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 84.6 mt -80.36 -9.73 59.75 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-O 121.564 0.697 . . . . 15.0 111.128 179.085 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.455 ' HD3' ' OE1' ' A' ' 40' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.094 0 CA-C-N 114.986 -1.006 . . . . 15.0 110.724 -173.461 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 . . . . . 0 N--CA 1.479 0.985 0 CA-C-O 120.799 0.333 . . . . 15.0 110.319 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 113' ' ' ILE . . . . . 0.549 HD12 ' HD2' ' B' ' 114' ' ' PRO . 5.9 tp -151.47 113.77 3.03 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 116.231 -0.44 . . . . 15.0 110.535 -179.628 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 114' ' ' PRO . . . . . 0.635 ' HB2' ' HB ' ' A' ' 37' ' ' THR . 43.1 Cg_endo -84.35 120.14 2.47 Favored 'Trans proline' 0 N--CA 1.457 -0.661 0 C-N-CA 122.648 2.232 . . . . 15.0 112.71 178.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 115' ' ' PRO . . . . . 0.416 ' HA ' ' HD2' ' B' ' 116' ' ' PRO . 50.7 Cg_exo -58.22 130.95 40.35 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 123.13 2.553 . . . . 15.0 113.262 175.806 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 116' ' ' PRO . . . . . 0.416 ' HD2' ' HA ' ' B' ' 115' ' ' PRO . 7.1 Cg_endo -49.15 -179.4 0.01 OUTLIER 'Trans proline' 0 N--CA 1.414 -3.166 0 C-N-CA 124.968 3.779 . . . . 15.0 115.038 167.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 117' ' ' TYR . . . . . 0.841 ' HB3' HG21 ' A' ' 30' ' ' ILE . 23.3 p90 -76.92 141.38 40.53 Favored 'General case' 1 C--N 1.241 -4.142 1 CA-C-N 105.733 -5.212 . . . . 15.0 110.883 -179.34 . . . . . . . . 4 3 . 1 . 005 nuclear nobuild core ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 11.2 p -100.53 -23.95 4.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 108.621 -0.881 . . . . 15.0 108.621 172.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 119' ' ' GLU . . . . . 0.439 ' O ' ' HD2' ' B' ' 117' ' ' TYR . 7.9 mm-40 . . . . . 0 C--N 1.325 -0.488 0 CA-C-N 114.574 -1.194 . . . . 15.0 109.133 177.16 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.0 pp . . . . . 0 C--O 1.233 0.235 0 N-CA-C 109.852 -0.425 . . . . 15.0 109.852 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.679 ' HB2' ' CD1' ' A' ' 17' ' ' TRP . 22.9 Cg_exo -49.63 151.0 8.06 Favored 'Trans proline' 0 CA--C 1.497 -1.331 0 C-N-CA 124.663 3.575 . . . . 15.0 116.935 -177.001 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 28.4 ttpp -73.78 131.12 41.23 Favored 'General case' 0 C--N 1.294 -1.82 0 CA-C-N 110.955 -2.838 . . . . 15.0 110.148 -175.35 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.59 24.31 56.48 Favored Glycine 0 N--CA 1.447 -0.57 0 N-CA-C 111.052 -0.819 . . . . 15.0 111.052 -174.425 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.679 ' CD1' ' HB2' ' A' ' 14' ' ' PRO . 24.0 m95 -115.46 121.15 41.87 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.759 -0.46 . . . . 15.0 109.759 174.67 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.59 ' HB2' ' CE1' ' A' ' 32' ' ' HIS . 1.5 tm-20 -120.41 133.78 55.37 Favored 'General case' 0 CA--C 1.503 -0.847 0 CA-C-O 121.862 0.839 . . . . 15.0 109.974 -173.667 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.463 HG22 ' CD2' ' A' ' 29' ' ' PHE . 10.7 t -108.23 89.98 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.294 -1.839 0 CA-C-N 113.677 -1.601 . . . . 15.0 110.267 -173.739 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.803 ' O ' ' HA ' ' A' ' 27' ' ' PRO . 5.8 tpp180 -98.21 150.11 21.85 Favored 'General case' 0 C--O 1.213 -0.84 0 CA-C-N 115.909 -0.587 . . . . 15.0 109.805 -177.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.631 ' HD2' ' N ' ' A' ' 27' ' ' PRO . 0.8 OUTLIER -114.54 110.92 20.56 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 108.777 -0.823 . . . . 15.0 108.777 -177.049 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.57 ' HB1' ' HD2' ' A' ' 23' ' ' PRO . . . -60.06 163.75 7.42 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 115.936 -0.575 . . . . 15.0 110.616 -178.283 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.57 ' HD2' ' HB1' ' A' ' 22' ' ' ALA . 22.4 Cg_endo -61.52 -18.95 62.63 Favored 'Trans proline' 0 C--N 1.35 0.615 0 C-N-CA 122.503 2.135 . . . . 15.0 113.203 -178.26 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 23.4 p30 -80.33 -10.05 59.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.545 0.688 . . . . 15.0 109.418 175.263 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 83.79 44.2 6.9 Favored Glycine 0 N--CA 1.435 -1.385 0 CA-C-N 114.712 -1.131 . . . . 15.0 112.39 -178.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 24.1 mmm180 -120.64 131.0 24.59 Favored Pre-proline 0 C--N 1.324 -0.517 0 N-CA-C 110.148 -0.316 . . . . 15.0 110.148 172.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.803 ' HA ' ' O ' ' A' ' 20' ' ' ARG . 97.3 Cg_endo -88.3 116.6 0.95 Allowed 'Trans proline' 0 N--CA 1.455 -0.769 0 C-N-CA 121.965 1.777 . . . . 15.0 112.293 176.107 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -103.62 119.62 39.27 Favored 'General case' 0 N--CA 1.437 -1.098 0 CA-C-N 113.478 -1.692 . . . . 15.0 108.936 177.178 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.463 ' CD2' HG22 ' A' ' 19' ' ' VAL . 5.5 m-85 -89.76 121.65 32.11 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.815 -0.63 . . . . 15.0 109.461 -174.379 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.892 ' HB ' ' CE1' ' A' ' 32' ' ' HIS . 16.4 mt -100.61 134.54 40.13 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.054 0 CA-C-N 115.239 -0.891 . . . . 15.0 111.124 -175.235 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.423 ' O ' ' HA ' ' A' ' 35' ' ' LYS . 8.6 t70 -93.61 118.76 31.78 Favored 'General case' 0 C--N 1.312 -1.05 0 N-CA-C 108.078 -1.082 . . . . 15.0 108.078 169.541 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.892 ' CE1' ' HB ' ' A' ' 30' ' ' ILE . 5.4 m80 -97.74 4.05 49.99 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.177 0.513 . . . . 15.0 110.106 -171.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 31.3 m-80 -89.83 -55.06 3.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.432 -0.804 . . . . 15.0 109.919 178.562 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.0 t -108.92 1.71 20.93 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.732 -0.667 . . . . 15.0 110.407 -179.315 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.946 ' HG3' ' HE1' ' B' ' 117' ' ' TYR . 3.6 mppt? 62.56 50.31 3.62 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 115.57 -0.741 . . . . 15.0 111.49 175.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 35.2 p -118.23 129.84 55.72 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.138 -0.483 . . . . 15.0 110.41 177.196 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.921 ' HB ' ' HG2' ' B' ' 114' ' ' PRO . 1.9 p -105.55 140.52 38.51 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.317 -0.401 . . . . 15.0 111.764 -176.437 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 4.4 t -150.01 142.89 24.79 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 109.262 -0.644 . . . . 15.0 109.262 178.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 24.6 m95 -83.15 -30.05 28.15 Favored 'General case' 0 CA--C 1.507 -0.675 0 CA-C-O 121.945 0.878 . . . . 15.0 110.097 -177.333 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.484 ' CD ' ' H ' ' A' ' 40' ' ' GLU . 2.3 pm0 -80.77 124.07 28.75 Favored 'General case' 0 C--N 1.308 -1.23 0 CA-C-N 114.06 -1.427 . . . . 15.0 110.33 -175.163 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -50.6 134.83 26.19 Favored Pre-proline 0 C--N 1.319 -0.72 0 CA-C-N 114.066 -1.424 . . . . 15.0 112.285 -173.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -65.04 -9.92 23.53 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.835 2.356 . . . . 15.0 111.193 172.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 17.9 mtm180 -77.53 -12.76 60.0 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 114.979 -1.01 . . . . 15.0 110.529 179.223 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 85.7 mt -79.82 -9.93 59.72 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 114.861 -1.063 . . . . 15.0 110.677 177.105 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.7 mmmp? . . . . . 0 C--N 1.313 -1.005 0 CA-C-N 114.811 -1.086 . . . . 15.0 111.027 -176.858 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 . . . . . 0 N--CA 1.475 0.778 0 CA-C-O 120.611 0.243 . . . . 15.0 110.5 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 113' ' ' ILE . . . . . 0.432 ' N ' HD13 ' B' ' 113' ' ' ILE . 0.2 OUTLIER -138.32 119.03 10.11 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.375 -0.375 . . . . 15.0 110.775 178.304 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 114' ' ' PRO . . . . . 0.921 ' HG2' ' HB ' ' A' ' 37' ' ' THR . 27.3 Cg_endo -80.7 138.8 12.11 Favored 'Trans proline' 0 N--CA 1.458 -0.617 0 C-N-CA 122.384 2.056 . . . . 15.0 112.516 178.23 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 115' ' ' PRO . . . . . 0.477 ' HA ' ' HD2' ' B' ' 116' ' ' PRO . 73.1 Cg_exo -49.3 127.62 18.25 Favored 'Trans proline' 0 N--CA 1.475 0.414 0 C-N-CA 123.794 2.996 . . . . 15.0 114.539 175.043 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 116' ' ' PRO . . . . . 0.477 ' HD2' ' HA ' ' B' ' 115' ' ' PRO . 4.7 Cg_endo -49.21 -179.61 0.01 OUTLIER 'Trans proline' 0 N--CA 1.414 -3.194 0 C-N-CA 124.919 3.746 . . . . 15.0 114.401 163.639 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 117' ' ' TYR . . . . . 0.946 ' HE1' ' HG3' ' A' ' 35' ' ' LYS . 41.9 p90 -78.34 132.36 37.39 Favored 'General case' 1 C--N 1.243 -4.055 1 CA-C-N 106.197 -5.001 . . . . 15.0 111.071 -175.801 . . . . . . . . 4 3 . 1 . 006 nuclear nobuild core ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 25.9 t -89.55 -15.78 8.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.566 0.698 . . . . 15.0 109.576 175.229 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 . . . . . 0 C--N 1.325 -0.46 0 CA-C-N 115.335 -0.848 . . . . 15.0 110.858 -179.366 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.3 pp . . . . . 0 C--O 1.234 0.273 0 N-CA-C 109.393 -0.595 . . . . 15.0 109.393 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.625 ' HB2' ' CD1' ' A' ' 17' ' ' TRP . 39.5 Cg_exo -49.71 150.94 8.39 Favored 'Trans proline' 0 CA--C 1.495 -1.47 0 C-N-CA 124.081 3.187 . . . . 15.0 116.142 -176.565 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -72.77 140.37 47.69 Favored 'General case' 0 C--N 1.288 -2.068 0 CA-C-N 111.142 -2.753 . . . . 15.0 109.706 -174.396 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.25 -5.4 67.51 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 121.055 -0.593 . . . . 15.0 111.81 -177.007 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.625 ' CD1' ' HB2' ' A' ' 14' ' ' PRO . 35.9 m95 -90.03 110.24 21.23 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.229 -0.656 . . . . 15.0 109.229 175.559 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.631 ' O ' ' HA ' ' A' ' 29' ' ' PHE . 18.5 mm-40 -108.19 145.01 34.83 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-O 122.009 0.909 . . . . 15.0 112.545 -172.507 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.509 HG22 ' CD2' ' A' ' 29' ' ' PHE . 11.5 t -115.33 105.3 18.29 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.18 0 CA-C-N 113.568 -1.651 . . . . 15.0 109.585 179.609 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.746 ' O ' ' HA ' ' A' ' 27' ' ' PRO . 15.6 ttm180 -127.69 150.06 49.94 Favored 'General case' 0 C--N 1.319 -0.747 0 C-N-CA 120.698 -0.401 . . . . 15.0 110.093 179.048 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.66 ' HD2' ' N ' ' A' ' 27' ' ' PRO . 0.3 OUTLIER -95.38 118.17 31.64 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 109.738 -0.467 . . . . 15.0 109.738 -179.806 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.39 161.9 65.86 Favored Pre-proline 0 C--N 1.32 -0.713 0 N-CA-C 109.304 -0.628 . . . . 15.0 109.304 172.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_exo -58.14 -14.91 20.98 Favored 'Trans proline' 0 C--N 1.348 0.538 0 C-N-CA 122.876 2.384 . . . . 15.0 113.914 -175.298 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 30.7 p-10 -80.42 -13.23 59.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.284 0.564 . . . . 15.0 109.71 178.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 96.8 28.52 8.76 Favored Glycine 0 N--CA 1.439 -1.104 0 CA-C-N 115.471 -0.786 . . . . 15.0 112.885 179.208 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.498 ' C ' ' HD2' ' A' ' 21' ' ' HIS . 6.0 mmp_? -123.38 141.32 35.88 Favored Pre-proline 0 C--O 1.221 -0.44 0 CA-C-O 120.735 0.302 . . . . 15.0 111.253 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.746 ' HA ' ' O ' ' A' ' 20' ' ' ARG . 85.9 Cg_endo -88.06 113.78 0.83 Allowed 'Trans proline' 0 N--CA 1.459 -0.521 0 C-N-CA 122.506 2.137 . . . . 15.0 112.204 174.535 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.564 ' HD1' ' H ' ' A' ' 28' ' ' PHE . 0.3 OUTLIER -99.78 124.95 45.58 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-N 113.772 -1.558 . . . . 15.0 108.38 175.181 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.631 ' HA ' ' O ' ' A' ' 18' ' ' GLU . 12.1 m-85 -89.72 113.0 24.44 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-O 121.46 0.647 . . . . 15.0 109.4 -175.136 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.778 HG21 ' HB3' ' B' ' 117' ' ' TYR . 21.4 mt -96.26 131.59 42.66 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.973 0 CA-C-N 115.024 -0.989 . . . . 15.0 110.556 -177.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -90.41 105.56 17.9 Favored 'General case' 0 C--N 1.302 -1.48 0 CA-C-N 115.134 -0.939 . . . . 15.0 108.769 172.366 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.481 ' NE2' ' HB ' ' A' ' 30' ' ' ILE . 11.0 m170 -87.77 2.12 52.09 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.403 -0.817 . . . . 15.0 110.094 -176.45 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 25.4 m-80 -89.27 -66.17 0.95 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.653 -0.703 . . . . 15.0 110.316 179.014 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.98 -1.81 31.05 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.716 -0.675 . . . . 15.0 111.002 -174.01 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.703 ' HG3' ' HE1' ' B' ' 117' ' ' TYR . 0.0 OUTLIER 66.5 85.61 0.14 Allowed 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.521 -0.763 . . . . 15.0 110.573 -177.242 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -146.13 150.32 35.68 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 114.873 -1.058 . . . . 15.0 108.688 -178.398 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 1.008 ' HB ' ' HB2' ' B' ' 114' ' ' PRO . 20.1 p -132.38 131.49 41.9 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-O 121.111 0.482 . . . . 15.0 112.045 -178.534 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.414 ' OG1' ' HG3' ' A' ' 40' ' ' GLU . 11.3 t -150.17 150.29 31.42 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.79 -0.641 . . . . 15.0 109.926 -179.081 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 70.4 m95 -89.04 -11.37 44.33 Favored 'General case' 0 CA--C 1.512 -0.482 0 C-N-CA 120.912 -0.315 . . . . 15.0 110.617 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.414 ' HG3' ' OG1' ' A' ' 38' ' ' THR . 0.9 OUTLIER -101.84 158.12 16.35 Favored 'General case' 0 N--CA 1.442 -0.871 0 CA-C-O 121.393 0.616 . . . . 15.0 111.812 -170.513 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.752 ' HB3' ' HG2' ' A' ' 43' ' ' ARG . 2.3 m-20 -84.74 127.58 64.57 Favored Pre-proline 0 C--N 1.322 -0.621 0 CA-C-N 115.051 -0.977 . . . . 15.0 111.256 -171.261 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.741 ' HA ' ' HE2' ' A' ' 45' ' ' LYS . 23.4 Cg_endo -62.25 -9.75 16.14 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.872 2.381 . . . . 15.0 112.695 176.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.752 ' HG2' ' HB3' ' A' ' 41' ' ' ASP . 19.8 ptt180 -78.24 -19.4 53.83 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.842 0.353 . . . . 15.0 110.48 176.474 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 83.0 mt -80.47 -9.54 59.76 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-O 121.575 0.702 . . . . 15.0 111.044 178.592 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.741 ' HE2' ' HA ' ' A' ' 42' ' ' PRO . 41.4 pttt . . . . . 0 C--N 1.31 -1.134 0 CA-C-N 114.886 -1.052 . . . . 15.0 110.781 -176.377 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 . . . . . 0 N--CA 1.477 0.921 0 CA-C-O 121.138 0.494 . . . . 15.0 110.291 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 77.3 mt -133.31 114.78 13.67 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-N 115.77 -0.65 . . . . 15.0 109.945 -178.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 114' ' ' PRO . . . . . 1.008 ' HB2' ' HB ' ' A' ' 37' ' ' THR . 23.7 Cg_exo -63.32 127.28 19.64 Favored 'Trans proline' 0 CA--C 1.531 0.362 0 C-N-CA 122.51 2.14 . . . . 15.0 112.205 177.337 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 115' ' ' PRO . . . . . 0.427 ' HA ' ' HD2' ' B' ' 116' ' ' PRO . 38.9 Cg_exo -60.57 130.81 35.03 Favored 'Trans proline' 0 CA--C 1.531 0.353 0 C-N-CA 122.975 2.45 . . . . 15.0 112.986 172.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 116' ' ' PRO . . . . . 0.427 ' HD2' ' HA ' ' B' ' 115' ' ' PRO . 7.3 Cg_endo -49.38 -179.26 0.01 OUTLIER 'Trans proline' 0 N--CA 1.416 -3.078 0 C-N-CA 124.963 3.775 . . . . 15.0 115.384 167.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 117' ' ' TYR . . . . . 0.778 ' HB3' HG21 ' A' ' 30' ' ' ILE . 41.1 p90 -74.5 127.41 32.99 Favored 'General case' 1 C--N 1.244 -4.006 1 CA-C-N 105.856 -5.156 . . . . 15.0 110.067 -179.453 . . . . . . . . 4 3 . 1 . 007 nuclear nobuild core ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 28.6 m -89.47 -0.49 8.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.223 0.535 . . . . 15.0 109.776 173.684 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 119' ' ' GLU . . . . . 0.441 ' CD ' HH22 ' A' ' 20' ' ' ARG . 11.8 pt-20 . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 115.151 -0.931 . . . . 15.0 109.717 -179.236 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.1 mp . . . . . 0 C--O 1.233 0.235 0 N-CA-C 110.318 -0.253 . . . . 15.0 110.318 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.735 ' HB2' ' CD1' ' A' ' 17' ' ' TRP . 8.8 Cg_exo -49.93 151.11 8.86 Favored 'Trans proline' 0 CA--C 1.495 -1.473 0 C-N-CA 123.608 2.872 . . . . 15.0 114.638 168.354 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.479 ' H ' ' HD3' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -60.73 119.8 8.85 Favored 'General case' 0 C--N 1.287 -2.126 0 CA-C-N 111.522 -2.581 . . . . 15.0 110.793 -172.507 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 86.45 5.26 82.45 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 121.155 -0.545 . . . . 15.0 112.746 178.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.735 ' CD1' ' HB2' ' A' ' 14' ' ' PRO . 31.9 m95 -92.33 124.37 36.34 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.091 0.472 . . . . 15.0 110.365 176.209 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.55 ' O ' ' HA ' ' A' ' 29' ' ' PHE . 36.7 mm-40 -124.92 149.96 47.06 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.642 -0.708 . . . . 15.0 112.169 -174.147 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.576 HG22 ' CD2' ' A' ' 29' ' ' PHE . 11.7 t -118.31 107.39 21.72 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.866 0 CA-C-N 115.329 -0.851 . . . . 15.0 110.234 178.438 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.654 ' O ' ' HA ' ' A' ' 27' ' ' PRO . 24.2 ttm180 -117.89 140.44 49.7 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.605 -0.517 . . . . 15.0 109.605 177.517 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.646 ' HD2' ' N ' ' A' ' 27' ' ' PRO . 0.1 OUTLIER -93.07 112.02 23.84 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.434 -0.951 . . . . 15.0 108.434 176.77 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.546 ' HB1' ' HD2' ' A' ' 23' ' ' PRO . . . -65.22 161.8 45.98 Favored Pre-proline 0 C--N 1.322 -0.591 0 N-CA-C 109.989 -0.375 . . . . 15.0 109.989 178.33 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.546 ' HD2' ' HB1' ' A' ' 22' ' ' ALA . 11.7 Cg_endo -56.63 -18.97 28.18 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.744 2.296 . . . . 15.0 113.465 -177.432 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 30.4 p-10 -80.33 -11.36 59.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.329 0.585 . . . . 15.0 109.598 179.555 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 94.22 27.33 12.25 Favored Glycine 0 N--CA 1.438 -1.168 0 CA-C-N 115.084 -0.962 . . . . 15.0 112.9 177.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.465 ' C ' ' HD2' ' A' ' 21' ' ' HIS . 24.2 mmm180 -117.77 136.19 23.6 Favored Pre-proline 0 C--N 1.326 -0.456 0 CA-C-O 120.609 0.242 . . . . 15.0 110.832 177.655 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.654 ' HA ' ' O ' ' A' ' 20' ' ' ARG . 95.0 Cg_endo -88.39 114.63 0.81 Allowed 'Trans proline' 0 N--CA 1.457 -0.646 0 C-N-CA 122.346 2.031 . . . . 15.0 111.845 174.74 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.616 ' HB2' ' HB3' ' B' ' 114' ' ' PRO . 0.4 OUTLIER -104.03 124.26 48.7 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 113.931 -1.486 . . . . 15.0 108.904 177.859 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.576 ' CD2' HG22 ' A' ' 19' ' ' VAL . 5.8 m-85 -89.78 113.84 25.45 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.644 -0.707 . . . . 15.0 109.298 -174.447 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.638 HG21 ' HB3' ' B' ' 117' ' ' TYR . 26.1 mt -95.02 131.15 42.62 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.911 0 CA-C-N 115.163 -0.926 . . . . 15.0 110.801 -176.289 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -92.67 105.74 17.84 Favored 'General case' 0 C--N 1.307 -1.243 0 CA-C-N 114.903 -1.044 . . . . 15.0 108.379 168.61 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.534 ' CE1' ' HB2' ' B' ' 117' ' ' TYR . 11.6 m170 -82.92 -0.92 50.72 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 114.921 -1.036 . . . . 15.0 110.85 -172.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 13.6 m-80 -90.2 -49.94 6.27 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.949 0.404 . . . . 15.0 110.944 -179.709 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -106.24 4.82 29.25 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.336 -0.393 . . . . 15.0 110.848 -175.594 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.788 ' HG3' ' HE1' ' B' ' 117' ' ' TYR . 0.0 OUTLIER 66.35 24.62 10.52 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 115.798 -0.637 . . . . 15.0 111.214 178.808 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 71.0 p -99.3 150.06 22.5 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.472 -0.331 . . . . 15.0 110.144 -175.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 1.042 ' HB ' ' HB2' ' B' ' 114' ' ' PRO . 1.8 p -132.48 143.72 49.96 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.956 0.407 . . . . 15.0 111.869 -176.011 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -150.15 150.33 31.49 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 115.889 -0.596 . . . . 15.0 109.921 -176.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 97.2 m95 -88.93 -20.7 24.18 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-O 121.154 0.502 . . . . 15.0 111.947 -172.433 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.512 ' CD ' ' H ' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -117.41 132.77 56.51 Favored 'General case' 0 C--N 1.309 -1.19 0 CA-C-N 115.718 -0.674 . . . . 15.0 111.908 -165.612 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -39.13 135.4 1.06 Allowed Pre-proline 0 N--CA 1.467 0.416 0 CA-C-N 114.254 -1.339 . . . . 15.0 113.434 -170.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.608 ' HA ' ' HE2' ' A' ' 45' ' ' LYS . 35.0 Cg_endo -65.84 -9.87 24.64 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.725 2.283 . . . . 15.0 111.12 172.19 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 70.7 mtt85 -72.82 -17.18 61.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.438 -0.801 . . . . 15.0 109.99 177.435 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 92.1 mt -79.84 -9.92 59.72 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.372 -0.831 . . . . 15.0 110.669 178.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.608 ' HE2' ' HA ' ' A' ' 42' ' ' PRO . 3.6 mppt? . . . . . 0 C--N 1.309 -1.182 0 CA-C-N 114.765 -1.107 . . . . 15.0 109.778 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 . . . . . 0 N--CA 1.48 1.06 0 CA-C-O 121.244 0.545 . . . . 15.0 110.894 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 19.1 pt -134.21 113.3 12.34 Favored Pre-proline 0 C--N 1.322 -0.593 0 CA-C-N 115.822 -0.626 . . . . 15.0 110.519 179.349 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 114' ' ' PRO . . . . . 1.042 ' HB2' ' HB ' ' A' ' 37' ' ' THR . 22.8 Cg_exo -63.22 126.79 18.57 Favored 'Trans proline' 0 CA--C 1.529 0.272 0 C-N-CA 122.303 2.002 . . . . 15.0 111.772 177.04 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 115' ' ' PRO . . . . . 0.476 ' HA ' ' HD2' ' B' ' 116' ' ' PRO . 52.8 Cg_exo -56.39 128.65 30.97 Favored 'Trans proline' 0 N--CA 1.472 0.262 0 C-N-CA 122.779 2.319 . . . . 15.0 112.724 174.599 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 116' ' ' PRO . . . . . 0.476 ' HD2' ' HA ' ' B' ' 115' ' ' PRO . 7.0 Cg_endo -49.36 -179.47 0.01 OUTLIER 'Trans proline' 0 N--CA 1.413 -3.253 0 C-N-CA 124.533 3.489 . . . . 15.0 114.854 169.335 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 117' ' ' TYR . . . . . 0.788 ' HE1' ' HG3' ' A' ' 35' ' ' LYS . 12.9 p90 -76.06 143.01 41.61 Favored 'General case' 1 C--N 1.24 -4.156 1 CA-C-N 105.818 -5.173 . . . . 15.0 110.007 -179.089 . . . . . . . . 4 3 . 1 . 008 nuclear nobuild core ' B' B ' 118' ' ' VAL . . . . . 0.516 HG23 HH22 ' A' ' 20' ' ' ARG . 21.2 t -112.5 -13.02 11.52 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.813 0 N-CA-C 108.02 -1.104 . . . . 15.0 108.02 174.386 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.442 -0.868 0 CA-C-N 114.019 -1.446 . . . . 15.0 109.888 -177.507 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.3 mp . . . . . 0 C--O 1.234 0.273 0 CA-C-O 120.862 0.363 . . . . 15.0 111.052 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.738 ' HB2' ' CD1' ' A' ' 17' ' ' TRP . 8.3 Cg_exo -49.11 150.88 6.62 Favored 'Trans proline' 0 CA--C 1.494 -1.482 0 C-N-CA 124.866 3.711 . . . . 15.0 116.169 174.47 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -68.06 126.84 30.78 Favored 'General case' 0 C--N 1.291 -1.951 0 CA-C-N 111.327 -2.669 . . . . 15.0 110.543 -175.102 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.93 19.79 56.99 Favored Glycine 0 N--CA 1.447 -0.63 0 N-CA-C 111.587 -0.605 . . . . 15.0 111.587 -178.076 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.738 ' CD1' ' HB2' ' A' ' 14' ' ' PRO . 54.1 m95 -112.54 116.72 30.68 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.691 -0.485 . . . . 15.0 109.691 175.021 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.607 ' HB2' ' CE1' ' A' ' 32' ' ' HIS . 1.3 tm-20 -120.2 130.5 54.58 Favored 'General case' 0 CA--C 1.497 -1.085 0 CA-C-O 122.1 0.952 . . . . 15.0 109.53 -174.33 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.549 HG22 ' CD2' ' A' ' 29' ' ' PHE . 16.6 t -105.88 110.37 31.06 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.927 0 CA-C-N 112.958 -1.928 . . . . 15.0 110.213 -175.53 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.783 ' O ' ' HA ' ' A' ' 27' ' ' PRO . 18.3 ttm180 -132.3 146.59 52.09 Favored 'General case' 0 C--N 1.313 -1.001 0 C-N-CA 120.577 -0.449 . . . . 15.0 110.456 -178.514 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.686 ' HD2' ' N ' ' A' ' 27' ' ' PRO . 0.0 OUTLIER -94.68 114.43 26.36 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 108.536 -0.912 . . . . 15.0 108.536 178.621 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.572 ' HB1' ' HD2' ' A' ' 23' ' ' PRO . . . -74.56 166.87 41.38 Favored Pre-proline 0 C--N 1.317 -0.815 0 CA-C-N 116.176 -0.465 . . . . 15.0 110.003 178.663 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.572 ' HD2' ' HB1' ' A' ' 22' ' ' ALA . 12.8 Cg_endo -57.69 -9.9 6.32 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 123.054 2.503 . . . . 15.0 112.817 176.14 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 47.5 t30 -80.0 -12.13 59.73 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 108.907 -0.775 . . . . 15.0 108.907 177.314 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 89.64 8.43 67.74 Favored Glycine 0 N--CA 1.443 -0.871 0 CA-C-N 115.364 -0.835 . . . . 15.0 112.155 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.407 ' C ' ' HD2' ' A' ' 21' ' ' HIS . 9.3 mmm180 -110.74 144.0 29.37 Favored Pre-proline 0 C--N 1.32 -0.68 0 CA-C-N 115.435 -0.382 . . . . 15.0 111.114 -177.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.783 ' HA ' ' O ' ' A' ' 20' ' ' ARG . 93.7 Cg_endo -88.5 116.51 0.9 Allowed 'Trans proline' 0 N--CA 1.454 -0.832 0 C-N-CA 122.52 2.147 . . . . 15.0 111.298 171.361 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.566 ' HD1' ' H ' ' A' ' 28' ' ' PHE . 0.2 OUTLIER -100.32 121.96 42.33 Favored 'General case' 0 C--N 1.311 -1.093 0 CA-C-N 114.133 -1.394 . . . . 15.0 108.496 176.622 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.549 ' CD2' HG22 ' A' ' 19' ' ' VAL . 6.2 m-85 -89.87 113.19 24.75 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 108.614 -0.884 . . . . 15.0 108.614 -176.554 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.987 ' HB ' ' CE1' ' A' ' 32' ' ' HIS . 8.6 mt -94.88 136.89 24.67 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.126 0 CA-C-N 115.136 -0.938 . . . . 15.0 111.472 -172.5 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.467 ' HB3' ' HB ' ' A' ' 36' ' ' THR . 0.9 OUTLIER -93.99 113.33 25.3 Favored 'General case' 0 C--N 1.312 -1.042 0 CA-C-N 114.875 -1.057 . . . . 15.0 109.216 170.691 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.987 ' CE1' ' HB ' ' A' ' 30' ' ' ILE . 13.6 m80 -99.68 0.54 42.11 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.992 -1.004 . . . . 15.0 110.129 -172.203 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 19.1 m-80 -78.04 -35.45 49.71 Favored 'General case' 0 CA--C 1.516 -0.356 0 N-CA-C 109.089 -0.708 . . . . 15.0 109.089 177.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.773 HG22 ' HG3' ' A' ' 35' ' ' LYS . 56.3 m -125.04 -78.13 0.6 Allowed 'General case' 0 N--CA 1.444 -0.762 0 CA-C-N 115.03 -0.986 . . . . 15.0 110.425 177.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.773 ' HG3' HG22 ' A' ' 34' ' ' THR . 0.1 OUTLIER 171.31 29.84 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.451 0.7 . . . . 15.0 110.456 -179.349 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.467 ' HB ' ' HB3' ' A' ' 31' ' ' ASP . 0.9 OUTLIER -90.87 150.63 21.46 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.193 -0.458 . . . . 15.0 109.884 -170.377 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.947 ' HB ' ' HB2' ' B' ' 114' ' ' PRO . 4.3 p -139.37 139.27 37.15 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-O 121.234 0.54 . . . . 15.0 111.991 -177.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.453 ' OG1' ' HG3' ' A' ' 40' ' ' GLU . 9.7 t -150.22 150.23 31.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.485 -0.78 . . . . 15.0 109.998 -179.266 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 65.4 m95 -91.44 -10.15 42.01 Favored 'General case' 0 CA--C 1.516 -0.363 0 C-N-CA 120.746 -0.382 . . . . 15.0 111.104 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.453 ' HG3' ' OG1' ' A' ' 38' ' ' THR . 0.2 OUTLIER -101.99 160.44 14.49 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-O 121.383 0.611 . . . . 15.0 111.869 -170.5 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.858 ' HB3' ' HG2' ' A' ' 43' ' ' ARG . 2.1 m-20 -86.5 127.75 59.59 Favored Pre-proline 0 C--N 1.324 -0.512 0 CA-C-N 115.185 -0.916 . . . . 15.0 111.801 -170.334 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_endo -66.42 -9.98 25.99 Favored 'Trans proline' 0 CA--C 1.53 0.299 0 C-N-CA 122.954 2.436 . . . . 15.0 112.219 176.385 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.858 ' HG2' ' HB3' ' A' ' 41' ' ' ASP . 28.3 ptt85 -78.9 -16.25 57.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.064 -0.516 . . . . 15.0 110.709 177.458 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 85.5 mt -80.23 -9.58 59.73 Favored 'General case' 0 CA--C 1.518 -0.254 0 CA-C-O 121.785 0.802 . . . . 15.0 110.662 178.664 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.541 ' NZ ' ' HB3' ' A' ' 45' ' ' LYS . 0.6 OUTLIER . . . . . 0 C--O 1.251 1.132 0 CA-C-N 114.005 -1.452 . . . . 15.0 109.995 179.145 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 22.8 mp0 . . . . . 0 N--CA 1.482 1.171 0 N-CA-C 109.986 -0.376 . . . . 15.0 109.986 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 113' ' ' ILE . . . . . 0.411 ' N ' HD12 ' B' ' 113' ' ' ILE . 3.3 mp -98.14 114.38 65.08 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.703 -0.226 . . . . 15.0 110.691 -178.549 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 114' ' ' PRO . . . . . 0.947 ' HB2' ' HB ' ' A' ' 37' ' ' THR . 13.9 Cg_exo -68.0 130.1 20.92 Favored 'Trans proline' 0 CA--C 1.534 0.519 0 C-N-CA 122.568 2.179 . . . . 15.0 112.43 176.224 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 115' ' ' PRO . . . . . 0.467 ' HA ' ' HD2' ' B' ' 116' ' ' PRO . 49.4 Cg_exo -60.58 132.77 44.86 Favored 'Trans proline' 0 N--CA 1.476 0.486 0 C-N-CA 123.079 2.519 . . . . 15.0 113.393 172.283 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 116' ' ' PRO . . . . . 0.467 ' HD2' ' HA ' ' B' ' 115' ' ' PRO . 6.4 Cg_endo -49.19 -179.3 0.01 OUTLIER 'Trans proline' 0 N--CA 1.416 -3.061 0 C-N-CA 124.938 3.758 . . . . 15.0 114.681 165.201 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 117' ' ' TYR . . . . . 0.571 ' HB3' HG21 ' A' ' 30' ' ' ILE . 51.6 p90 -82.68 157.72 23.23 Favored 'General case' 1 C--N 1.242 -4.105 1 CA-C-N 106.195 -5.002 . . . . 15.0 110.657 -177.651 . . . . . . . . 4 3 . 1 . 009 nuclear nobuild core ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 8.7 p -129.67 -1.96 2.8 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-N 115.805 -0.634 . . . . 15.0 109.725 -177.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 . . . . . 0 C--N 1.327 -0.378 0 CA-C-N 115.608 -0.723 . . . . 15.0 110.343 -178.968 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.3 mp . . . . . 0 C--O 1.233 0.202 0 CA-C-O 120.792 0.329 . . . . 15.0 111.541 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.684 ' HB2' ' CD1' ' A' ' 17' ' ' TRP . 6.5 Cg_exo -49.49 151.15 7.48 Favored 'Trans proline' 0 CA--C 1.502 -1.115 0 C-N-CA 124.925 3.75 . . . . 15.0 115.988 170.315 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.6 tppp? -60.94 122.22 14.36 Favored 'General case' 0 C--N 1.294 -1.809 0 CA-C-N 111.41 -2.632 . . . . 15.0 110.964 -172.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 88.35 -1.55 84.38 Favored Glycine 0 N--CA 1.451 -0.338 0 CA-C-N 116.035 -0.53 . . . . 15.0 112.334 179.159 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.684 ' CD1' ' HB2' ' A' ' 14' ' ' PRO . 46.5 m95 -89.97 115.79 27.53 Favored 'General case' 0 CA--C 1.511 -0.535 0 CA-C-O 121.36 0.6 . . . . 15.0 110.015 175.681 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.652 ' O ' ' HA ' ' A' ' 29' ' ' PHE . 1.2 mm-40 -108.06 148.33 29.94 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-N 115.421 -0.808 . . . . 15.0 111.531 -177.821 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.492 HG22 ' CD2' ' A' ' 29' ' ' PHE . 5.2 t -122.52 91.88 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.304 0 CA-C-N 114.313 -1.312 . . . . 15.0 108.756 178.545 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.757 ' O ' ' HA ' ' A' ' 27' ' ' PRO . 33.3 ttm-85 -107.28 149.16 28.09 Favored 'General case' 0 C--N 1.314 -0.936 0 C-N-CA 119.981 -0.688 . . . . 15.0 110.059 -178.392 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.596 ' HD2' ' N ' ' A' ' 27' ' ' PRO . 0.2 OUTLIER -105.27 109.83 21.96 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 108.4 -0.963 . . . . 15.0 108.4 -174.813 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.604 ' HB1' ' HD2' ' A' ' 23' ' ' PRO . . . -61.76 163.74 11.75 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 116.194 -0.457 . . . . 15.0 110.465 -179.804 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.604 ' HD2' ' HB1' ' A' ' 22' ' ' ALA . 18.7 Cg_endo -59.17 -18.79 46.13 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 122.595 2.196 . . . . 15.0 113.37 -178.021 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 15.4 p30 -80.44 -10.0 59.75 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.556 0.694 . . . . 15.0 109.755 176.61 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 88.13 42.03 6.06 Favored Glycine 0 N--CA 1.438 -1.209 0 CA-C-N 115.077 -0.965 . . . . 15.0 112.466 178.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.477 ' C ' ' HD2' ' A' ' 21' ' ' HIS . 16.8 mmt180 -128.54 136.33 28.94 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 120.611 0.243 . . . . 15.0 110.929 177.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.757 ' HA ' ' O ' ' A' ' 20' ' ' ARG . 83.5 Cg_endo -88.15 115.24 0.9 Allowed 'Trans proline' 0 N--CA 1.462 -0.329 0 C-N-CA 122.398 2.065 . . . . 15.0 112.567 176.258 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.514 ' HB3' ' CZ3' ' A' ' 39' ' ' TRP . 0.9 OUTLIER -104.88 123.23 47.36 Favored 'General case' 0 N--CA 1.44 -0.944 0 CA-C-N 113.804 -1.543 . . . . 15.0 108.632 175.773 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.652 ' HA ' ' O ' ' A' ' 18' ' ' GLU . 12.1 m-85 -89.85 118.98 29.84 Favored 'General case' 0 N--CA 1.442 -0.857 0 CA-C-N 115.743 -0.662 . . . . 15.0 109.621 -174.02 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.76 HG21 ' HB3' ' B' ' 117' ' ' TYR . 29.9 mt -101.78 128.95 53.76 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.08 0 CA-C-N 115.347 -0.842 . . . . 15.0 110.346 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 62.6 t0 -90.86 104.25 16.86 Favored 'General case' 0 C--N 1.308 -1.229 0 N-CA-C 107.636 -1.246 . . . . 15.0 107.636 169.705 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.513 ' HE1' ' OE2' ' B' ' 119' ' ' GLU . 11.9 m170 -79.47 -3.09 45.01 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 114.809 -1.087 . . . . 15.0 110.69 -172.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 21.0 m-80 -89.92 -52.75 4.82 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.238 0.542 . . . . 15.0 110.394 175.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.4 m -96.65 -1.62 46.34 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 115.565 -0.743 . . . . 15.0 111.786 -173.647 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.743 ' HG3' ' HE1' ' B' ' 117' ' ' TYR . 12.9 mptt 65.95 23.43 11.23 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-O 120.922 0.391 . . . . 15.0 110.745 -179.495 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 23.2 p -102.97 128.0 49.97 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.297 -0.411 . . . . 15.0 111.029 -174.543 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.663 ' HB ' ' HB2' ' B' ' 114' ' ' PRO . 6.8 p -108.83 136.55 48.2 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.163 0.506 . . . . 15.0 111.49 -178.364 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.678 ' OG1' ' HG3' ' A' ' 40' ' ' GLU . 5.7 t -149.16 150.05 32.02 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.915 -0.584 . . . . 15.0 110.352 -176.451 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.514 ' CZ3' ' HB3' ' A' ' 28' ' ' PHE . 45.3 m95 -93.82 -7.93 41.93 Favored 'General case' 0 CA--C 1.508 -0.665 0 CA-C-O 121.017 0.436 . . . . 15.0 110.197 179.229 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.678 ' HG3' ' OG1' ' A' ' 38' ' ' THR . 1.2 pp20? -91.21 151.86 20.77 Favored 'General case' 0 N--CA 1.437 -1.109 0 C-N-CA 120.024 -0.671 . . . . 15.0 109.993 -175.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -101.72 129.14 27.26 Favored Pre-proline 0 C--N 1.314 -0.946 0 CA-C-N 115.19 -0.914 . . . . 15.0 111.01 -162.392 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_endo -65.38 -13.7 41.13 Favored 'Trans proline' 0 CA--C 1.531 0.351 0 C-N-CA 122.725 2.284 . . . . 15.0 113.293 -179.04 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 4.2 ptp180 -79.11 -17.19 55.54 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.631 0.729 . . . . 15.0 109.62 177.534 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 83.6 mt -74.81 -9.64 58.74 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 114.974 -1.012 . . . . 15.0 110.698 178.466 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.1 ttmp? . . . . . 0 C--N 1.312 -1.05 0 CA-C-N 114.591 -1.186 . . . . 15.0 109.463 177.971 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.479 0.999 0 N-CA-C 109.289 -0.634 . . . . 15.0 109.289 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 13.4 tt -66.28 117.53 44.31 Favored Pre-proline 0 CA--C 1.539 0.53 0 CA-C-O 120.977 0.418 . . . . 15.0 112.096 -176.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 114' ' ' PRO . . . . . 0.663 ' HB2' ' HB ' ' A' ' 37' ' ' THR . 5.0 Cg_exo -73.99 138.87 26.34 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.433 2.089 . . . . 15.0 111.892 172.154 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 115' ' ' PRO . . . . . 0.424 ' HA ' ' HD2' ' B' ' 116' ' ' PRO . 74.9 Cg_exo -54.5 125.16 18.04 Favored 'Trans proline' 0 CA--C 1.53 0.325 0 C-N-CA 123.044 2.496 . . . . 15.0 113.243 173.272 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 116' ' ' PRO . . . . . 0.424 ' HD2' ' HA ' ' B' ' 115' ' ' PRO . 7.6 Cg_endo -49.02 -179.65 0.01 OUTLIER 'Trans proline' 0 N--CA 1.415 -3.11 0 C-N-CA 125.202 3.935 . . . . 15.0 115.233 167.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 117' ' ' TYR . . . . . 0.76 ' HB3' HG21 ' A' ' 30' ' ' ILE . 30.1 p90 -79.22 132.42 36.5 Favored 'General case' 1 C--N 1.244 -4.005 1 CA-C-N 105.77 -5.196 . . . . 15.0 110.14 179.804 . . . . . . . . 4 3 . 1 . 010 nuclear nobuild core ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 28.2 m -110.3 -9.99 11.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-O 121.131 0.491 . . . . 15.0 110.216 178.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 119' ' ' GLU . . . . . 0.513 ' OE2' ' HE1' ' A' ' 32' ' ' HIS . 2.8 mp0 . . . . . 0 C--N 1.326 -0.446 0 CA-C-N 115.469 -0.787 . . . . 15.0 110.652 179.444 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.645 HD11 HG23 ' A' ' 19' ' ' VAL . 47.3 mt . . . . . 0 CA--C 1.515 -0.402 0 CA-C-O 121.33 0.586 . . . . 15.0 111.976 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.73 ' HB2' ' CD1' ' A' ' 17' ' ' TRP . 0.8 OUTLIER -49.55 151.07 7.73 Favored 'Trans proline' 0 CA--C 1.494 -1.477 0 C-N-CA 123.676 2.917 . . . . 15.0 113.872 160.864 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 44.8 tptt -59.06 122.6 14.15 Favored 'General case' 0 C--N 1.283 -2.293 0 CA-C-N 111.48 -2.6 . . . . 15.0 110.702 -172.013 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 83.07 8.7 85.27 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 121.165 -0.54 . . . . 15.0 112.722 176.729 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.73 ' CD1' ' HB2' ' A' ' 14' ' ' PRO . 25.8 m95 -89.97 140.35 29.71 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.359 0.6 . . . . 15.0 110.784 176.577 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.739 ' O ' ' HA ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -129.52 150.09 51.01 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.074 -0.966 . . . . 15.0 110.446 -176.177 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.645 HG23 HD11 ' A' ' 13' ' ' LEU . 19.4 t -130.87 90.47 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.296 -1.747 0 CA-C-N 114.401 -1.272 . . . . 15.0 108.656 175.413 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.742 ' O ' ' HA ' ' A' ' 27' ' ' PRO . 26.2 ttm180 -117.09 147.02 42.76 Favored 'General case' 0 C--N 1.314 -0.944 0 C-N-CA 120.43 -0.508 . . . . 15.0 109.933 -178.089 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.7 ' HD2' ' N ' ' A' ' 27' ' ' PRO . 2.9 m170 -94.65 119.34 33.13 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 109.275 -0.639 . . . . 15.0 109.275 178.379 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.588 ' HB1' ' HD2' ' A' ' 23' ' ' PRO . . . -69.92 164.71 49.28 Favored Pre-proline 0 C--N 1.32 -0.676 0 N-CA-C 109.614 -0.513 . . . . 15.0 109.614 174.57 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.588 ' HD2' ' HB1' ' A' ' 22' ' ' ALA . 15.9 Cg_endo -58.09 -12.13 11.94 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 122.542 2.161 . . . . 15.0 113.347 -179.207 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 21.0 p30 -80.45 -15.52 56.58 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.305 0.574 . . . . 15.0 109.979 177.242 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 97.27 22.81 15.98 Favored Glycine 0 N--CA 1.439 -1.124 0 CA-C-N 115.629 -0.714 . . . . 15.0 112.922 177.571 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.553 ' C ' ' HD2' ' A' ' 21' ' ' HIS . 26.4 mmm180 -122.86 143.82 41.35 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 122.647 -0.325 . . . . 15.0 111.298 -178.411 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.742 ' HA ' ' O ' ' A' ' 20' ' ' ARG . 82.6 Cg_endo -88.5 120.33 1.21 Allowed 'Trans proline' 0 N--CA 1.459 -0.555 0 C-N-CA 122.892 2.395 . . . . 15.0 112.233 176.284 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.43 ' CE2' HD11 ' A' ' 30' ' ' ILE . 1.7 p90 -107.59 123.33 48.3 Favored 'General case' 0 N--CA 1.434 -1.228 0 CA-C-N 113.741 -1.572 . . . . 15.0 108.559 176.327 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.739 ' HA ' ' O ' ' A' ' 18' ' ' GLU . 4.8 m-85 -89.85 114.71 26.51 Favored 'General case' 0 N--CA 1.441 -0.892 0 N-CA-C 109.354 -0.61 . . . . 15.0 109.354 -175.106 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.645 HG21 ' HB3' ' B' ' 117' ' ' TYR . 15.9 mt -98.51 135.41 33.46 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.918 0 CA-C-N 115.501 -0.772 . . . . 15.0 110.931 -176.764 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -97.4 107.84 20.44 Favored 'General case' 0 C--N 1.309 -1.19 0 CA-C-N 114.975 -1.011 . . . . 15.0 108.697 170.455 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.546 ' NE2' ' HB ' ' A' ' 30' ' ' ILE . 10.7 m170 -87.15 0.75 54.81 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.059 -0.973 . . . . 15.0 110.583 -172.79 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 13.0 m-80 -90.21 -67.5 0.84 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 15.0 110.388 179.197 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 8.7 m -86.3 -4.95 59.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.405 0.621 . . . . 15.0 109.777 -179.229 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.533 ' HD2' ' CE1' ' B' ' 117' ' ' TYR . 29.5 mmtp 72.33 33.09 1.55 Allowed 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 114.731 -1.122 . . . . 15.0 110.75 173.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 48.0 p -102.72 150.25 23.65 Favored 'General case' 0 C--O 1.22 -0.459 0 CA-C-N 116.031 -0.531 . . . . 15.0 110.763 -177.574 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.982 ' HB ' ' HB2' ' B' ' 114' ' ' PRO . 20.6 p -121.91 142.89 49.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 121.931 -0.481 . . . . 15.0 111.982 -178.798 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.525 ' OG1' ' HG3' ' A' ' 40' ' ' GLU . 9.7 t -150.15 150.19 31.29 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 116.019 -0.537 . . . . 15.0 110.203 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 86.4 m95 -89.24 -15.63 33.15 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 120.998 0.428 . . . . 15.0 111.094 178.629 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.525 ' HG3' ' OG1' ' A' ' 38' ' ' THR . 0.6 OUTLIER -99.98 160.55 14.23 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-O 121.551 0.691 . . . . 15.0 112.146 -166.576 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -88.49 136.29 31.6 Favored Pre-proline 0 C--N 1.321 -0.661 0 CA-C-N 114.963 -1.017 . . . . 15.0 111.95 -165.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -66.73 -10.04 26.72 Favored 'Trans proline' 0 CA--C 1.53 0.308 0 C-N-CA 122.875 2.383 . . . . 15.0 112.472 176.248 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.448 ' HD3' ' HA ' ' A' ' 43' ' ' ARG . 19.1 mmt180 -75.27 -11.96 60.18 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.961 0.41 . . . . 15.0 111.037 176.769 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 92.8 mt -80.16 -9.72 59.73 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.695 0.759 . . . . 15.0 110.058 176.312 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 76.9 mttt . . . . . 0 C--N 1.314 -0.954 0 CA-C-N 114.528 -1.215 . . . . 15.0 110.028 -173.454 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 . . . . . 0 N--CA 1.477 0.883 0 CA-C-O 120.917 0.389 . . . . 15.0 110.702 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 47.9 mm -111.06 111.32 56.15 Favored Pre-proline 0 C--N 1.324 -0.529 0 N-CA-C 109.506 -0.553 . . . . 15.0 109.506 177.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 114' ' ' PRO . . . . . 0.982 ' HB2' ' HB ' ' A' ' 37' ' ' THR . 4.7 Cg_exo -71.47 119.7 6.43 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 121.672 1.581 . . . . 15.0 111.721 179.758 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 115' ' ' PRO . . . . . 0.43 ' HA ' ' HD2' ' B' ' 116' ' ' PRO . 18.0 Cg_exo -68.34 136.3 36.62 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.568 2.179 . . . . 15.0 112.315 174.477 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 116' ' ' PRO . . . . . 0.43 ' HD2' ' HA ' ' B' ' 115' ' ' PRO . 6.9 Cg_endo -49.2 -179.55 0.01 OUTLIER 'Trans proline' 0 N--CA 1.415 -3.142 0 C-N-CA 124.998 3.799 . . . . 15.0 114.778 167.258 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 117' ' ' TYR . . . . . 0.645 ' HB3' HG21 ' A' ' 30' ' ' ILE . 24.6 p90 -76.59 131.72 39.06 Favored 'General case' 1 C--N 1.239 -4.201 1 CA-C-N 105.711 -5.222 . . . . 15.0 109.495 179.402 . . . . . . . . 4 3 . 1 . 011 nuclear nobuild core ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 5.6 t -112.18 40.12 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-O 121.725 0.774 . . . . 15.0 110.081 -173.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 119' ' ' GLU . . . . . 0.472 ' OE1' ' HB2' ' B' ' 117' ' ' TYR . 2.3 mp0 . . . . . 0 C--N 1.323 -0.551 0 N-CA-C 109.096 -0.705 . . . . 15.0 109.096 176.388 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.7 mp . . . . . 0 C--O 1.233 0.209 0 N-CA-C 109.984 -0.376 . . . . 15.0 109.984 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.749 ' HB2' ' CD1' ' A' ' 17' ' ' TRP . 15.9 Cg_exo -49.55 150.93 7.9 Favored 'Trans proline' 0 CA--C 1.496 -1.385 0 C-N-CA 123.913 3.075 . . . . 15.0 115.362 176.431 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -63.69 120.07 11.11 Favored 'General case' 0 C--N 1.292 -1.909 0 CA-C-N 111.198 -2.728 . . . . 15.0 110.822 -172.273 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 91.34 0.17 73.88 Favored Glycine 0 N--CA 1.448 -0.566 0 CA-C-N 116.123 -0.489 . . . . 15.0 112.219 178.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.749 ' CD1' ' HB2' ' A' ' 14' ' ' PRO . 40.6 m95 -89.97 114.62 26.48 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.298 0.57 . . . . 15.0 110.572 177.82 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.592 ' O ' ' HA ' ' A' ' 29' ' ' PHE . 3.0 mt-10 -102.96 150.06 23.91 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.233 -0.894 . . . . 15.0 111.827 -178.09 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.538 HG22 ' CD2' ' A' ' 29' ' ' PHE . 15.9 t -119.02 103.17 14.08 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.188 0 CA-C-N 114.343 -1.299 . . . . 15.0 108.926 173.668 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.709 ' O ' ' HA ' ' A' ' 27' ' ' PRO . 10.6 ttm180 -125.92 146.6 49.78 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 120.681 -0.407 . . . . 15.0 109.977 -178.593 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.7 ' HD2' ' N ' ' A' ' 27' ' ' PRO . 0.0 OUTLIER -96.75 118.87 34.15 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 109.123 -0.695 . . . . 15.0 109.123 -177.751 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.16 160.68 82.08 Favored Pre-proline 0 C--N 1.32 -0.706 0 N-CA-C 109.228 -0.656 . . . . 15.0 109.228 175.273 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -59.82 -10.51 12.17 Favored 'Trans proline' 0 CA--C 1.534 0.504 0 C-N-CA 122.77 2.313 . . . . 15.0 113.393 -177.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 20.3 p30 -80.41 -12.99 59.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.305 0.574 . . . . 15.0 109.968 176.537 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.37 9.9 46.21 Favored Glycine 0 N--CA 1.44 -1.089 0 CA-C-N 115.45 -0.795 . . . . 15.0 113.095 177.447 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.404 ' C ' ' HD2' ' A' ' 21' ' ' HIS . 10.5 mmm180 -111.16 140.75 23.17 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 122.701 -0.293 . . . . 15.0 111.342 -178.316 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.709 ' HA ' ' O ' ' A' ' 20' ' ' ARG . 93.7 Cg_endo -88.58 115.15 0.8 Allowed 'Trans proline' 0 N--CA 1.457 -0.667 0 C-N-CA 122.659 2.239 . . . . 15.0 111.85 173.383 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.625 ' HD1' ' H ' ' A' ' 28' ' ' PHE . 0.4 OUTLIER -99.52 124.14 44.42 Favored 'General case' 0 N--CA 1.437 -1.118 0 CA-C-N 114.383 -1.281 . . . . 15.0 108.48 176.488 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.592 ' HA ' ' O ' ' A' ' 18' ' ' GLU . 7.2 m-85 -89.71 117.84 28.87 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.51 -0.768 . . . . 15.0 109.374 -174.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.706 HG21 ' HB3' ' B' ' 117' ' ' TYR . 20.0 mt -104.49 134.67 45.22 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.885 0 CA-C-N 115.618 -0.719 . . . . 15.0 111.377 -175.522 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -89.95 115.35 27.18 Favored 'General case' 0 C--N 1.307 -1.262 0 N-CA-C 108.096 -1.076 . . . . 15.0 108.096 168.013 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.418 ' NE2' ' HB ' ' A' ' 30' ' ' ILE . 11.9 m170 -94.32 5.04 53.01 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 115.842 -0.617 . . . . 15.0 110.927 -174.171 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 26.5 m-80 -90.02 -62.28 1.5 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.032 0.444 . . . . 15.0 110.846 177.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.8 m -111.43 2.58 17.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.004 -0.543 . . . . 15.0 110.599 -174.101 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.1 tmmm? 66.66 92.26 0.08 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.368 -0.833 . . . . 15.0 110.208 -178.536 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.1 m -140.61 150.31 43.43 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 114.81 -1.086 . . . . 15.0 108.279 177.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 1.062 ' HB ' ' HB2' ' B' ' 114' ' ' PRO . 5.5 p -138.23 135.9 36.02 Favored 'General case' 0 C--N 1.313 -1.007 0 C-N-CA 120.39 -0.524 . . . . 15.0 112.101 -176.092 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 14.7 t -150.27 150.21 31.21 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 115.68 -0.691 . . . . 15.0 109.408 -179.472 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 70.0 m95 -91.09 -19.87 22.66 Favored 'General case' 0 CA--C 1.512 -0.511 0 CA-C-O 121.897 0.856 . . . . 15.0 109.697 176.778 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -103.6 128.91 50.79 Favored 'General case' 0 C--N 1.31 -1.139 0 CA-C-N 114.263 -1.335 . . . . 15.0 110.613 -168.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -52.65 130.65 46.09 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 114.41 -1.268 . . . . 15.0 111.923 -170.381 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -68.84 -9.91 27.61 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.805 2.337 . . . . 15.0 112.093 178.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 11.2 tpp180 -76.95 -23.49 52.38 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.395 0.617 . . . . 15.0 110.13 178.455 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 88.4 mt -72.18 -9.81 58.94 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.35 -0.841 . . . . 15.0 110.811 174.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 45.7 mmtm . . . . . 0 C--N 1.308 -1.213 0 CA-C-N 114.799 -1.091 . . . . 15.0 109.722 177.631 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 . . . . . 0 N--CA 1.479 0.997 0 N-CA-C 109.822 -0.436 . . . . 15.0 109.822 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 64.9 mt 69.56 103.68 0.03 OUTLIER Pre-proline 0 C--O 1.234 0.244 0 O-C-N 123.648 0.593 . . . . 15.0 110.628 -177.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 114' ' ' PRO . . . . . 1.062 ' HB2' ' HB ' ' A' ' 37' ' ' THR . 9.8 Cg_exo -69.05 127.61 15.42 Favored 'Trans proline' 0 N--CA 1.461 -0.393 0 C-N-CA 122.249 1.966 . . . . 15.0 111.802 178.211 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 115' ' ' PRO . . . . . 0.478 ' HA ' ' HD2' ' B' ' 116' ' ' PRO . 93.0 Cg_endo -81.81 134.56 8.51 Favored 'Trans proline' 0 CA--C 1.529 0.257 0 C-N-CA 122.897 2.398 . . . . 15.0 112.729 179.246 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 116' ' ' PRO . . . . . 0.478 ' HD2' ' HA ' ' B' ' 115' ' ' PRO . 7.3 Cg_endo -48.56 -179.64 0.01 OUTLIER 'Trans proline' 0 N--CA 1.419 -2.895 1 C-N-CA 125.396 4.064 . . . . 15.0 115.661 172.886 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 117' ' ' TYR . . . . . 0.706 ' HB3' HG21 ' A' ' 30' ' ' ILE . 30.4 p90 -70.86 120.08 15.93 Favored 'General case' 1 C--N 1.243 -4.039 1 CA-C-N 105.84 -5.163 . . . . 15.0 110.101 -177.807 . . . . . . . . 4 3 . 1 . 012 nuclear nobuild core ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 14.4 p -80.43 -14.11 12.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 121.663 0.745 . . . . 15.0 109.626 176.025 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 . . . . . 0 C--N 1.323 -0.574 0 CA-C-N 115.134 -0.939 . . . . 15.0 109.794 179.553 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.2 mp . . . . . 0 N--CA 1.455 -0.22 0 CA-C-O 120.585 0.231 . . . . 15.0 110.383 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.692 ' HB2' ' CD1' ' A' ' 17' ' ' TRP . 15.8 Cg_exo -49.65 151.25 7.86 Favored 'Trans proline' 0 CA--C 1.493 -1.562 0 C-N-CA 124.33 3.354 . . . . 15.0 115.38 174.433 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.405 ' HD2' ' H ' ' A' ' 15' ' ' LYS . 10.6 mptt -65.14 137.11 57.44 Favored 'General case' 0 C--N 1.291 -1.937 0 CA-C-N 111.221 -2.718 . . . . 15.0 110.142 -174.068 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.82 -1.33 68.31 Favored Glycine 0 C--N 1.319 -0.397 0 CA-C-N 115.413 -0.812 . . . . 15.0 112.731 -179.258 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.692 ' CD1' ' HB2' ' A' ' 14' ' ' PRO . 49.4 m95 -90.24 103.86 16.5 Favored 'General case' 0 CA--C 1.516 -0.354 0 CA-C-O 121.392 0.615 . . . . 15.0 109.537 175.76 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.571 ' O ' ' HA ' ' A' ' 29' ' ' PHE . 27.4 mm-40 -96.02 145.68 25.25 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.911 -1.04 . . . . 15.0 111.735 -174.73 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.481 HG22 ' CD2' ' A' ' 29' ' ' PHE . 10.0 t -117.66 91.0 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.848 0 CA-C-N 114.97 -1.014 . . . . 15.0 110.121 -179.23 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.638 ' O ' ' HA ' ' A' ' 27' ' ' PRO . 6.7 ttm180 -105.67 134.52 48.65 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.606 -0.438 . . . . 15.0 110.123 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.631 ' HD2' ' N ' ' A' ' 27' ' ' PRO . 0.2 OUTLIER -91.01 107.76 19.41 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 108.143 -1.058 . . . . 15.0 108.143 176.21 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.612 ' HB1' ' HD2' ' A' ' 23' ' ' PRO . . . -63.01 164.57 12.71 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 116.556 -0.293 . . . . 15.0 110.385 -178.533 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.612 ' HD2' ' HB1' ' A' ' 22' ' ' ALA . 16.8 Cg_endo -58.1 -16.82 28.9 Favored 'Trans proline' 0 C--N 1.35 0.614 0 C-N-CA 122.754 2.302 . . . . 15.0 113.493 -178.402 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.41 ' OD1' ' HB3' ' A' ' 22' ' ' ALA . 32.4 p-10 -80.49 -11.05 59.72 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.21 -0.663 . . . . 15.0 109.21 177.379 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 85.58 39.32 8.31 Favored Glycine 0 N--CA 1.437 -1.266 0 CA-C-N 114.8 -1.091 . . . . 15.0 112.382 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.424 ' HD3' ' HA ' ' A' ' 26' ' ' ARG . 18.9 mmt180 -127.18 133.92 25.58 Favored Pre-proline 0 C--N 1.324 -0.538 0 N-CA-C 110.099 -0.334 . . . . 15.0 110.099 175.258 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.638 ' HA ' ' O ' ' A' ' 20' ' ' ARG . 73.2 Cg_endo -88.72 107.16 0.48 Allowed 'Trans proline' 0 N--CA 1.451 -1.011 0 C-N-CA 122.201 1.934 . . . . 15.0 111.356 177.843 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.649 ' HD1' ' H ' ' A' ' 28' ' ' PHE . 0.2 OUTLIER -97.57 124.15 41.73 Favored 'General case' 0 N--CA 1.441 -0.893 0 CA-C-N 114.319 -1.309 . . . . 15.0 108.814 177.024 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.571 ' HA ' ' O ' ' A' ' 18' ' ' GLU . 11.6 m-85 -89.8 118.49 29.43 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.289 -0.868 . . . . 15.0 109.515 -174.403 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.747 HG21 ' HB3' ' B' ' 117' ' ' TYR . 19.0 mt -104.6 136.59 37.45 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.874 0 CA-C-N 115.418 -0.81 . . . . 15.0 110.772 -177.46 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.544 ' HB3' ' HB ' ' A' ' 36' ' ' THR . 1.2 t70 -89.68 116.09 27.54 Favored 'General case' 0 C--N 1.308 -1.237 0 CA-C-N 115.277 -0.874 . . . . 15.0 108.696 171.158 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.443 ' NE2' ' HB ' ' A' ' 30' ' ' ILE . 12.6 m-70 -103.62 4.96 36.17 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.035 -0.984 . . . . 15.0 110.776 -175.539 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 15.9 m-80 -84.1 -30.43 25.97 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-O 121.558 0.694 . . . . 15.0 109.55 179.139 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.464 ' O ' ' HB3' ' A' ' 35' ' ' LYS . 84.3 m -138.85 -71.9 0.4 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.151 -0.931 . . . . 15.0 109.477 178.759 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.534 ' O ' ' HG3' ' A' ' 35' ' ' LYS . 19.4 ptpt 161.1 103.59 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.34 0 O-C-N 124.392 1.058 . . . . 15.0 110.21 173.833 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.544 ' HB ' ' HB3' ' A' ' 31' ' ' ASP . 1.3 m -150.36 150.89 32.04 Favored 'General case' 0 C--N 1.307 -1.241 0 CA-C-N 114.608 -1.178 . . . . 15.0 109.594 -178.771 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 1.006 ' HB ' ' HB2' ' B' ' 114' ' ' PRO . 1.0 OUTLIER -141.14 132.79 27.16 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-O 121.117 0.484 . . . . 15.0 111.684 178.675 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.535 ' OG1' ' HG3' ' A' ' 40' ' ' GLU . 9.3 t -150.02 150.16 31.38 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.941 -0.572 . . . . 15.0 110.388 -179.375 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 63.3 m95 -92.49 -12.26 32.45 Favored 'General case' 0 CA--C 1.514 -0.415 0 CA-C-O 120.904 0.383 . . . . 15.0 110.337 177.723 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.535 ' HG3' ' OG1' ' A' ' 38' ' ' THR . 1.0 OUTLIER -99.23 159.98 14.6 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-N 115.972 -0.558 . . . . 15.0 110.693 -172.723 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.687 ' HB3' ' HG3' ' A' ' 43' ' ' ARG . 4.7 m-20 -91.88 125.59 56.59 Favored Pre-proline 0 C--N 1.319 -0.731 0 CA-C-N 115.897 -0.592 . . . . 15.0 111.43 -171.002 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -60.99 -9.78 13.06 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 123.388 2.725 . . . . 15.0 112.289 176.032 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.687 ' HG3' ' HB3' ' A' ' 41' ' ' ASP . 13.9 mtt180 -60.99 -26.05 67.31 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 116.139 -0.482 . . . . 15.0 110.917 -178.545 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 71.2 mt -79.95 -10.04 59.74 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.591 0.71 . . . . 15.0 111.117 -178.205 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 57.1 mttp . . . . . 0 C--N 1.307 -1.243 0 CA-C-N 114.873 -1.058 . . . . 15.0 110.36 -173.888 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 15.1 pm0 . . . . . 0 N--CA 1.478 0.972 0 CA-C-O 121.306 0.574 . . . . 15.0 110.761 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 69.0 mt -96.82 118.9 64.57 Favored Pre-proline 0 C--N 1.326 -0.426 0 CA-C-N 116.233 -0.44 . . . . 15.0 110.296 179.648 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 114' ' ' PRO . . . . . 1.006 ' HB2' ' HB ' ' A' ' 37' ' ' THR . 2.7 Cg_exo -71.21 122.52 8.79 Favored 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 122.117 1.878 . . . . 15.0 112.13 177.083 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 115' ' ' PRO . . . . . 0.467 ' HA ' ' HD2' ' B' ' 116' ' ' PRO . 31.2 Cg_exo -63.02 125.69 16.4 Favored 'Trans proline' 0 N--CA 1.474 0.342 0 C-N-CA 122.881 2.387 . . . . 15.0 112.66 173.104 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 116' ' ' PRO . . . . . 0.467 ' HD2' ' HA ' ' B' ' 115' ' ' PRO . 7.2 Cg_endo -48.91 -179.64 0.01 OUTLIER 'Trans proline' 0 N--CA 1.416 -3.085 0 C-N-CA 124.747 3.631 . . . . 15.0 114.9 168.683 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 117' ' ' TYR . . . . . 0.747 ' HB3' HG21 ' A' ' 30' ' ' ILE . 25.5 p90 -72.98 127.2 31.84 Favored 'General case' 1 C--N 1.243 -4.052 1 CA-C-N 105.973 -5.103 . . . . 15.0 109.806 -179.394 . . . . . . . . 4 3 . 1 . 013 nuclear nobuild core ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 8.6 p -108.7 -3.61 10.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 N-CA-C 108.761 -0.829 . . . . 15.0 108.761 177.032 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 119' ' ' GLU . . . . . 0.412 ' OE2' ' HE1' ' A' ' 32' ' ' HIS . 1.8 mp0 . . . . . 0 C--N 1.327 -0.393 0 CA-C-N 114.681 -1.145 . . . . 15.0 110.191 177.365 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.418 HD13 ' HA ' ' A' ' 13' ' ' LEU . 4.1 mm? . . . . . 0 CA--C 1.52 -0.207 0 N-CA-C 109.756 -0.461 . . . . 15.0 109.756 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.762 ' HB2' ' CD1' ' A' ' 17' ' ' TRP . 10.7 Cg_exo -49.85 151.02 8.74 Favored 'Trans proline' 0 CA--C 1.496 -1.397 0 C-N-CA 123.629 2.886 . . . . 15.0 115.03 170.711 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 32.9 ttpt -60.42 124.3 19.93 Favored 'General case' 0 C--N 1.287 -2.141 0 CA-C-N 111.215 -2.721 . . . . 15.0 110.812 -172.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.45 -1.3 88.44 Favored Glycine 0 C--N 1.33 0.213 0 CA-C-N 116.046 -0.525 . . . . 15.0 112.659 -179.731 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.762 ' CD1' ' HB2' ' A' ' 14' ' ' PRO . 51.0 m95 -89.89 117.77 28.96 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.088 0.47 . . . . 15.0 110.145 177.342 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.492 ' O ' ' HA ' ' A' ' 29' ' ' PHE . 31.2 mm-40 -111.4 149.57 31.03 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.5 -0.773 . . . . 15.0 111.694 -176.133 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.53 HG22 ' CD2' ' A' ' 29' ' ' PHE . 16.2 t -115.75 108.66 25.8 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.897 0 CA-C-N 114.772 -1.104 . . . . 15.0 109.229 177.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.715 ' O ' ' HA ' ' A' ' 27' ' ' PRO . 1.0 OUTLIER -123.63 143.64 50.11 Favored 'General case' 0 C--N 1.316 -0.854 0 C-N-CA 120.406 -0.518 . . . . 15.0 110.165 178.484 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.618 ' HD2' ' N ' ' A' ' 27' ' ' PRO . 0.2 OUTLIER -101.95 110.23 22.16 Favored 'General case' 0 C--N 1.311 -1.069 0 N-CA-C 107.846 -1.168 . . . . 15.0 107.846 -178.824 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.416 ' HB3' ' OD1' ' A' ' 24' ' ' ASN . . . -62.52 162.13 22.21 Favored Pre-proline 0 C--N 1.323 -0.558 0 N-CA-C 110.046 -0.353 . . . . 15.0 110.046 -179.802 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -57.97 -18.61 36.25 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.6 2.2 . . . . 15.0 113.381 -176.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.416 ' OD1' ' HB3' ' A' ' 22' ' ' ALA . 33.7 p-10 -80.38 -10.03 59.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.559 0.695 . . . . 15.0 109.477 177.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 88.72 29.6 18.03 Favored Glycine 0 N--CA 1.44 -1.048 0 CA-C-N 114.892 -1.049 . . . . 15.0 112.802 178.099 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.7 mmp_? -115.76 131.03 23.89 Favored Pre-proline 0 C--N 1.321 -0.668 0 N-CA-C 109.405 -0.591 . . . . 15.0 109.405 174.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.715 ' HA ' ' O ' ' A' ' 20' ' ' ARG . 95.3 Cg_endo -88.93 116.54 0.8 Allowed 'Trans proline' 0 N--CA 1.457 -0.649 0 C-N-CA 122.119 1.879 . . . . 15.0 112.411 176.664 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.583 ' HD1' ' H ' ' A' ' 28' ' ' PHE . 0.2 OUTLIER -104.4 123.31 47.21 Favored 'General case' 0 N--CA 1.442 -0.857 0 CA-C-N 113.957 -1.474 . . . . 15.0 109.066 177.894 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.53 ' CD2' HG22 ' A' ' 19' ' ' VAL . 9.3 m-85 -89.74 120.42 30.98 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.591 -0.731 . . . . 15.0 109.628 -174.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.771 HG21 ' HB3' ' B' ' 117' ' ' TYR . 16.9 mt -106.17 136.69 39.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.977 -0.556 . . . . 15.0 111.747 -174.834 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.842 ' HB3' ' HB ' ' A' ' 36' ' ' THR . 0.4 OUTLIER -90.04 110.72 21.7 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-N 114.957 -1.02 . . . . 15.0 108.753 168.867 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.624 ' CE1' ' HB2' ' B' ' 117' ' ' TYR . 12.1 m-70 -93.98 0.27 55.94 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.008 -0.996 . . . . 15.0 110.879 -174.375 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 15.1 m-80 -80.91 -34.22 33.59 Favored 'General case' 0 CA--C 1.512 -0.514 0 N-CA-C 108.996 -0.742 . . . . 15.0 108.996 177.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.408 ' O ' ' HG2' ' A' ' 35' ' ' LYS . 18.0 m -124.67 -87.6 0.62 Allowed 'General case' 0 N--CA 1.443 -0.798 0 CA-C-N 115.507 -0.77 . . . . 15.0 110.841 177.246 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.408 ' HG2' ' O ' ' A' ' 34' ' ' THR . 39.3 mmtm -172.4 21.62 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 122.739 0.416 . . . . 15.0 110.59 -170.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.842 ' HB ' ' HB3' ' A' ' 31' ' ' ASP . 1.9 m -90.16 150.71 21.9 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.461 -0.496 . . . . 15.0 110.967 -168.017 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 1.016 ' HB ' ' HB2' ' B' ' 114' ' ' PRO . 7.7 p -146.58 133.34 20.01 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-N 116.101 -0.5 . . . . 15.0 110.934 -178.615 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.475 ' OG1' ' HG3' ' A' ' 40' ' ' GLU . 10.2 t -150.16 150.15 31.24 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.145 -0.48 . . . . 15.0 110.168 179.512 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 66.7 m95 -88.46 -11.37 46.12 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 121.257 0.551 . . . . 15.0 110.158 178.712 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.475 ' HG3' ' OG1' ' A' ' 38' ' ' THR . 0.4 OUTLIER -108.01 162.55 13.94 Favored 'General case' 0 N--CA 1.44 -0.965 0 CA-C-N 115.623 -0.717 . . . . 15.0 110.372 -172.918 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -97.84 128.56 33.65 Favored Pre-proline 0 C--N 1.319 -0.726 0 CA-C-O 121.326 0.584 . . . . 15.0 112.23 -169.251 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -63.83 -10.1 21.3 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 123.727 2.951 . . . . 15.0 112.438 179.708 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 77.1 mtp180 -76.95 -41.03 44.85 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.777 -0.647 . . . . 15.0 110.178 179.681 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.9 -16.37 55.46 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.263 -0.88 . . . . 15.0 110.975 178.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 37.9 ttmt . . . . . 0 C--O 1.249 1.055 0 O-C-N 125.763 1.914 . . . . 15.0 113.356 178.772 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 27.5 mm-40 . . . . . 0 N--CA 1.482 1.151 0 CA-C-O 120.868 0.366 . . . . 15.0 110.52 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 6.1 tp -108.53 114.91 58.54 Favored Pre-proline 0 C--N 1.317 -0.844 0 CA-C-N 116.038 -0.528 . . . . 15.0 111.022 -176.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 114' ' ' PRO . . . . . 1.016 ' HB2' ' HB ' ' A' ' 37' ' ' THR . 13.8 Cg_exo -68.69 126.12 13.61 Favored 'Trans proline' 0 CA--C 1.53 0.284 0 C-N-CA 122.188 1.925 . . . . 15.0 111.617 173.634 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 115' ' ' PRO . . . . . 0.462 ' HA ' ' HD2' ' B' ' 116' ' ' PRO . 52.2 Cg_exo -57.71 126.75 22.78 Favored 'Trans proline' 0 C--N 1.343 0.26 0 C-N-CA 122.851 2.367 . . . . 15.0 112.775 174.77 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 116' ' ' PRO . . . . . 0.462 ' HD2' ' HA ' ' B' ' 115' ' ' PRO . 6.7 Cg_endo -48.81 -179.65 0.01 OUTLIER 'Trans proline' 0 N--CA 1.415 -3.114 0 C-N-CA 125.016 3.811 . . . . 15.0 115.326 170.495 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 117' ' ' TYR . . . . . 0.771 ' HB3' HG21 ' A' ' 30' ' ' ILE . 2.7 p90 -83.62 133.63 34.83 Favored 'General case' 0 C--N 1.244 -3.993 1 CA-C-N 105.9 -5.137 . . . . 15.0 110.542 -177.168 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 29.1 m -117.97 -7.36 11.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 121.359 0.599 . . . . 15.0 109.559 176.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.237 0.404 0 CA-C-N 115.211 -0.904 . . . . 15.0 109.886 179.159 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.4 pp . . . . . 0 C--O 1.234 0.264 0 N-CA-C 108.534 -0.913 . . . . 15.0 108.534 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.665 ' HB2' ' CD1' ' A' ' 17' ' ' TRP . 44.8 Cg_exo -49.55 150.66 8.3 Favored 'Trans proline' 0 CA--C 1.498 -1.288 0 C-N-CA 123.577 2.852 . . . . 15.0 115.882 -176.77 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -75.62 129.68 37.55 Favored 'General case' 0 C--N 1.288 -2.086 0 CA-C-N 111.241 -2.709 . . . . 15.0 110.687 -172.048 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 88.63 -0.17 82.53 Favored Glycine 0 N--CA 1.451 -0.346 0 CA-C-N 115.662 -0.699 . . . . 15.0 111.423 -176.656 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.665 ' CD1' ' HB2' ' A' ' 14' ' ' PRO . 26.2 m95 -90.92 117.12 29.27 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-O 121.338 0.589 . . . . 15.0 110.043 175.775 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.602 ' O ' ' HA ' ' A' ' 29' ' ' PHE . 11.8 mm-40 -105.03 149.45 25.79 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-N 115.25 -0.886 . . . . 15.0 111.039 -177.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.533 HG22 ' CD2' ' A' ' 29' ' ' PHE . 8.9 t -125.57 90.01 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.297 0 CA-C-N 114.758 -1.11 . . . . 15.0 108.988 178.215 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.677 ' O ' ' HA ' ' A' ' 27' ' ' PRO . 21.9 ttm180 -102.46 144.83 30.41 Favored 'General case' 0 C--N 1.318 -0.775 0 C-N-CA 120.635 -0.426 . . . . 15.0 109.914 -177.402 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.574 ' HD2' ' N ' ' A' ' 27' ' ' PRO . 0.2 OUTLIER -99.53 109.59 22.11 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 108.234 -1.024 . . . . 15.0 108.234 179.074 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.12 164.75 12.5 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-N 116.507 -0.315 . . . . 15.0 110.321 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -59.06 -18.36 43.03 Favored 'Trans proline' 0 C--N 1.35 0.626 0 C-N-CA 122.522 2.148 . . . . 15.0 113.25 -178.46 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 32.3 p-10 -80.41 -10.23 59.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.664 0.745 . . . . 15.0 109.263 177.49 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.3 38.24 7.86 Favored Glycine 0 N--CA 1.438 -1.169 0 CA-C-N 114.793 -1.094 . . . . 15.0 113.077 177.683 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.462 ' O ' ' HA ' ' A' ' 21' ' ' HIS . 6.5 mmp_? -123.25 142.0 37.44 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 122.735 -0.273 . . . . 15.0 110.678 175.404 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.677 ' HA ' ' O ' ' A' ' 20' ' ' ARG . 95.3 Cg_endo -87.76 113.54 0.87 Allowed 'Trans proline' 0 C--O 1.233 0.268 0 C-N-CA 122.329 2.02 . . . . 15.0 112.2 172.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.415 ' H ' ' HD1' ' A' ' 28' ' ' PHE . 0.8 OUTLIER -104.35 123.21 47.0 Favored 'General case' 0 N--CA 1.441 -0.918 0 CA-C-N 114.001 -1.454 . . . . 15.0 108.435 174.253 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.602 ' HA ' ' O ' ' A' ' 18' ' ' GLU . 8.2 m-85 -89.59 124.22 34.36 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.556 -0.747 . . . . 15.0 109.472 -174.781 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.863 HG21 ' HB3' ' B' ' 117' ' ' TYR . 21.3 mt -107.58 133.31 52.72 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.044 0 CA-C-N 115.396 -0.82 . . . . 15.0 110.529 -179.631 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.665 ' O ' ' HA ' ' A' ' 35' ' ' LYS . 13.0 t70 -89.95 114.85 26.74 Favored 'General case' 0 C--N 1.304 -1.384 0 N-CA-C 108.088 -1.079 . . . . 15.0 108.088 169.69 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.553 ' CE1' ' HB2' ' B' ' 117' ' ' TYR . 12.0 m170 -95.56 4.24 53.34 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 116.038 -0.528 . . . . 15.0 110.549 -174.725 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 24.5 m-80 -89.85 -64.01 1.2 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.024 -0.535 . . . . 15.0 110.319 179.389 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.441 ' O ' ' HB3' ' A' ' 35' ' ' LYS . 23.4 m -100.51 -21.67 15.25 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.728 -0.669 . . . . 15.0 109.947 -178.084 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.688 ' HD3' ' HE1' ' B' ' 117' ' ' TYR . 37.4 ttpt 82.6 98.47 0.05 OUTLIER 'General case' 0 CA--C 1.514 -0.412 0 CA-C-N 114.367 -1.288 . . . . 15.0 112.146 178.346 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -150.68 149.97 30.5 Favored 'General case' 0 C--N 1.309 -1.159 0 CA-C-N 113.337 -1.756 . . . . 15.0 108.827 174.478 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.611 ' HB ' ' HG2' ' B' ' 114' ' ' PRO . 4.8 p -126.45 131.46 51.67 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.155 0.502 . . . . 15.0 111.781 178.838 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.522 ' OG1' ' HG3' ' A' ' 40' ' ' GLU . 4.9 t -147.96 150.14 33.47 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.756 -0.656 . . . . 15.0 110.185 -177.362 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 57.7 m95 -90.18 -4.87 56.99 Favored 'General case' 0 CA--C 1.512 -0.514 0 CA-C-O 120.885 0.374 . . . . 15.0 110.844 -177.345 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.522 ' HG3' ' OG1' ' A' ' 38' ' ' THR . 0.7 OUTLIER -105.43 156.99 17.67 Favored 'General case' 0 N--CA 1.438 -1.035 0 CA-C-N 115.979 -0.555 . . . . 15.0 110.957 -173.524 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 1.011 ' HB3' HD13 ' A' ' 44' ' ' LEU . 5.1 t0 -93.49 130.42 35.42 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-N 115.606 -0.725 . . . . 15.0 111.961 -161.829 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -75.21 -12.01 21.1 Favored 'Trans proline' 0 C--N 1.351 0.706 0 C-N-CA 122.655 2.237 . . . . 15.0 113.269 178.043 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 64.1 mtm180 -74.17 -19.1 60.67 Favored 'General case' 0 CA--C 1.511 -0.539 0 CA-C-O 122.209 1.004 . . . . 15.0 109.536 177.522 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 1.011 HD13 ' HB3' ' A' ' 41' ' ' ASP . 4.7 mp -77.66 -9.46 58.98 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-N 113.611 -1.631 . . . . 15.0 110.364 -179.512 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.5 mptp? . . . . . 0 C--O 1.25 1.08 0 CA-C-N 114.759 -1.11 . . . . 15.0 110.507 -178.641 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 . . . . . 0 N--CA 1.479 1.006 0 N-CA-C 110.299 -0.26 . . . . 15.0 110.299 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 15.5 pt -54.9 115.23 8.44 Favored Pre-proline 0 CA--C 1.539 0.527 0 O-C-N 123.615 0.572 . . . . 15.0 112.43 -177.533 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 114' ' ' PRO . . . . . 0.611 ' HG2' ' HB ' ' A' ' 37' ' ' THR . 9.3 Cg_endo -78.0 138.35 16.37 Favored 'Trans proline' 0 CA--C 1.534 0.478 0 C-N-CA 122.529 2.153 . . . . 15.0 112.675 178.841 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 115' ' ' PRO . . . . . 0.45 ' HA ' ' HD2' ' B' ' 116' ' ' PRO . 81.1 Cg_exo -51.71 126.35 19.48 Favored 'Trans proline' 0 N--CA 1.477 0.537 0 C-N-CA 123.779 2.986 . . . . 15.0 114.243 174.249 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 116' ' ' PRO . . . . . 0.45 ' HD2' ' HA ' ' B' ' 115' ' ' PRO . 7.9 Cg_endo -49.84 -179.47 0.02 OUTLIER 'Trans proline' 0 N--CA 1.419 -2.909 1 C-N-CA 125.331 4.021 . . . . 15.0 115.193 166.769 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 117' ' ' TYR . . . . . 0.863 ' HB3' HG21 ' A' ' 30' ' ' ILE . 14.4 p90 -77.62 143.83 37.93 Favored 'General case' 0 C--N 1.248 -3.813 1 CA-C-N 105.876 -5.147 . . . . 15.0 110.67 -178.674 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 51.0 t -106.33 -38.52 4.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 108.9 -0.778 . . . . 15.0 108.9 175.357 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.32 -0.712 0 CA-C-N 114.647 -1.16 . . . . 15.0 109.429 177.194 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.4 HD13 ' HA ' ' A' ' 13' ' ' LEU . 3.8 mm? . . . . . 0 C--O 1.234 0.244 0 CA-C-O 120.555 0.217 . . . . 15.0 110.601 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.742 ' HB2' ' CD1' ' A' ' 17' ' ' TRP . 13.0 Cg_exo -49.72 151.14 8.18 Favored 'Trans proline' 0 CA--C 1.496 -1.381 0 C-N-CA 124.193 3.262 . . . . 15.0 115.518 173.456 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 38.5 ttmt -63.01 124.81 22.05 Favored 'General case' 0 C--N 1.289 -2.065 0 CA-C-N 111.425 -2.625 . . . . 15.0 110.654 -173.362 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 87.25 -5.45 85.08 Favored Glycine 0 N--CA 1.451 -0.339 0 CA-C-N 116.042 -0.526 . . . . 15.0 112.146 -177.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.742 ' CD1' ' HB2' ' A' ' 14' ' ' PRO . 48.5 m95 -89.85 114.36 26.1 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.355 -0.609 . . . . 15.0 109.355 175.111 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.662 ' O ' ' HA ' ' A' ' 29' ' ' PHE . 5.7 mm-40 -106.99 144.88 32.98 Favored 'General case' 0 C--N 1.31 -1.141 0 CA-C-N 115.151 -0.931 . . . . 15.0 111.756 -174.589 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.501 HG22 ' CD2' ' A' ' 29' ' ' PHE . 10.2 t -118.93 96.0 4.08 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.176 0 CA-C-N 114.195 -1.366 . . . . 15.0 109.76 -177.477 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.617 ' O ' ' HA ' ' A' ' 27' ' ' PRO . 0.3 OUTLIER -113.07 130.28 56.22 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 120.615 -0.434 . . . . 15.0 110.211 -179.125 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.623 ' HD2' ' N ' ' A' ' 27' ' ' PRO . 0.2 OUTLIER -91.0 110.21 21.47 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.325 -0.991 . . . . 15.0 108.325 176.934 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.15 166.07 11.67 Favored Pre-proline 0 C--N 1.327 -0.401 0 O-C-N 123.215 0.322 . . . . 15.0 110.345 -179.199 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -60.33 -17.8 49.08 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.668 2.246 . . . . 15.0 113.107 177.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 30.3 p30 -80.05 -10.19 59.75 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.141 -0.688 . . . . 15.0 109.141 174.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 83.03 36.88 13.78 Favored Glycine 0 N--CA 1.439 -1.113 0 CA-C-N 114.972 -1.013 . . . . 15.0 112.546 178.428 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 8.7 mpt_? -114.3 129.62 24.71 Favored Pre-proline 0 C--N 1.319 -0.746 0 N-CA-C 109.659 -0.497 . . . . 15.0 109.659 173.207 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.623 ' N ' ' HD2' ' A' ' 21' ' ' HIS . 56.7 Cg_endo -88.91 99.94 0.37 Allowed 'Trans proline' 0 N--CA 1.447 -1.208 0 C-N-CA 121.802 1.668 . . . . 15.0 110.523 173.394 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.424 ' HD1' ' H ' ' A' ' 28' ' ' PHE . 1.2 p90 -94.27 121.88 36.24 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-N 114.259 -1.337 . . . . 15.0 109.357 -178.47 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.662 ' HA ' ' O ' ' A' ' 18' ' ' GLU . 16.2 m-85 -89.79 117.33 28.55 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 115.572 -0.74 . . . . 15.0 109.768 -174.078 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.949 HG21 ' HB3' ' B' ' 117' ' ' TYR . 20.7 mt -102.17 133.64 45.15 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.996 0 CA-C-N 115.425 -0.807 . . . . 15.0 110.173 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.411 ' O ' ' HA ' ' A' ' 35' ' ' LYS . 16.4 t70 -89.97 110.04 21.03 Favored 'General case' 0 C--N 1.302 -1.495 0 N-CA-C 108.27 -1.011 . . . . 15.0 108.27 171.653 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.504 ' NE2' ' HB ' ' A' ' 30' ' ' ILE . 12.3 m170 -90.48 6.21 44.43 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.42 -0.809 . . . . 15.0 110.284 -174.592 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 29.5 m-80 -90.08 -71.67 0.6 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.723 -0.671 . . . . 15.0 110.417 176.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.5 m -98.7 -8.35 26.28 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.62 -0.718 . . . . 15.0 110.16 -173.609 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.411 ' HA ' ' O ' ' A' ' 31' ' ' ASP . 63.4 mttt 76.71 97.44 0.07 Allowed 'General case' 0 CA--C 1.514 -0.42 0 CA-C-N 114.584 -1.189 . . . . 15.0 111.271 179.285 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -150.22 150.56 31.73 Favored 'General case' 0 C--N 1.311 -1.1 0 CA-C-N 113.801 -1.545 . . . . 15.0 109.148 -175.493 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.976 ' HB ' ' HB2' ' B' ' 114' ' ' PRO . 10.7 p -132.73 129.92 39.32 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-O 120.968 0.413 . . . . 15.0 111.375 178.545 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 12.6 t -150.34 149.94 30.77 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 116.014 -0.539 . . . . 15.0 109.726 -176.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 25.2 m95 -97.22 -25.68 15.2 Favored 'General case' 0 CA--C 1.509 -0.603 0 CA-C-O 121.902 0.858 . . . . 15.0 109.711 177.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.455 ' CD ' ' H ' ' A' ' 40' ' ' GLU . 2.3 pm0 -86.61 126.66 34.66 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 114.299 -1.319 . . . . 15.0 110.358 -173.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -53.79 128.43 54.21 Favored Pre-proline 0 C--N 1.317 -0.816 0 CA-C-N 114.504 -1.226 . . . . 15.0 111.851 -174.518 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -65.16 -10.2 24.8 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.793 2.328 . . . . 15.0 112.011 176.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 20.4 mmm180 -72.89 -9.83 59.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.86 -0.609 . . . . 15.0 111.293 179.546 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 88.7 mt -78.86 -9.96 59.65 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.607 0.718 . . . . 15.0 110.764 178.355 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.467 ' HA ' ' HD2' ' A' ' 45' ' ' LYS . 12.5 tptp . . . . . 0 C--N 1.31 -1.114 0 CA-C-N 114.874 -1.057 . . . . 15.0 110.705 179.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? . . . . . 0 N--CA 1.476 0.859 0 N-CA-C 109.771 -0.455 . . . . 15.0 109.771 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 70.7 mt 68.19 98.36 0.04 OUTLIER Pre-proline 0 N--CA 1.467 0.384 0 C-N-CA 123.274 0.63 . . . . 15.0 111.42 -178.457 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 114' ' ' PRO . . . . . 0.976 ' HB2' ' HB ' ' A' ' 37' ' ' THR . 3.1 Cg_exo -74.78 122.07 7.07 Favored 'Trans proline' 0 N--CA 1.461 -0.391 0 C-N-CA 122.62 2.213 . . . . 15.0 112.027 178.169 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 115' ' ' PRO . . . . . 0.411 ' HA ' ' HD2' ' B' ' 116' ' ' PRO . 35.6 Cg_exo -61.44 125.16 16.18 Favored 'Trans proline' 0 CA--C 1.53 0.304 0 C-N-CA 122.724 2.283 . . . . 15.0 113.114 174.256 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 116' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' B' ' 115' ' ' PRO . 8.2 Cg_endo -49.21 -179.55 0.01 OUTLIER 'Trans proline' 0 N--CA 1.415 -3.129 0 C-N-CA 125.15 3.9 . . . . 15.0 114.932 167.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 117' ' ' TYR . . . . . 0.949 ' HB3' HG21 ' A' ' 30' ' ' ILE . 2.4 p90 -96.96 137.06 36.62 Favored 'General case' 1 C--N 1.239 -4.214 1 CA-C-N 105.854 -5.157 . . . . 15.0 109.736 179.414 . . . . . . . . 4 3 . 1 . 016 nuclear nobuild core ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 11.0 p -118.11 -13.2 10.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-O 121.776 0.798 . . . . 15.0 108.949 173.182 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 119' ' ' GLU . . . . . 0.483 ' CD ' HH22 ' A' ' 20' ' ' ARG . 2.4 pm0 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 114.819 -1.082 . . . . 15.0 111.245 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.1 pp . . . . . 0 N--CA 1.454 -0.235 0 N-CA-C 109.992 -0.373 . . . . 15.0 109.992 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.779 ' HB2' ' CD1' ' A' ' 17' ' ' TRP . 92.4 Cg_exo -50.0 151.29 8.86 Favored 'Trans proline' 0 CA--C 1.496 -1.394 0 C-N-CA 124.146 3.231 . . . . 15.0 116.043 -176.58 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 50.7 mtpt -70.72 142.94 51.44 Favored 'General case' 0 C--N 1.287 -2.109 0 CA-C-N 111.054 -2.794 . . . . 15.0 110.106 -175.548 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 71.35 3.69 54.16 Favored Glycine 0 C--N 1.322 -0.2 0 CA-C-N 116.181 -0.463 . . . . 15.0 112.652 -178.423 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.779 ' CD1' ' HB2' ' A' ' 14' ' ' PRO . 15.5 m95 -90.03 113.01 24.62 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.313 0.577 . . . . 15.0 110.247 177.63 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.544 ' O ' ' HA ' ' A' ' 29' ' ' PHE . 2.4 mm-40 -108.86 149.03 29.72 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.377 -0.829 . . . . 15.0 111.558 -176.649 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.528 HG22 ' CD2' ' A' ' 29' ' ' PHE . 12.9 t -117.38 97.96 6.07 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.185 0 CA-C-N 114.745 -1.116 . . . . 15.0 109.176 179.741 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.76 ' O ' ' HA ' ' A' ' 27' ' ' PRO . 5.6 tpp180 -111.61 146.04 38.11 Favored 'General case' 0 C--N 1.316 -0.85 0 C-N-CA 120.764 -0.374 . . . . 15.0 110.062 -179.06 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.642 ' HD2' ' N ' ' A' ' 27' ' ' PRO . 0.0 OUTLIER -101.49 112.8 25.45 Favored 'General case' 0 C--N 1.314 -0.975 0 N-CA-C 108.117 -1.068 . . . . 15.0 108.117 178.937 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.419 ' HB3' ' OD1' ' A' ' 24' ' ' ASN . . . -65.14 159.5 64.71 Favored Pre-proline 0 C--N 1.321 -0.633 0 N-CA-C 109.479 -0.563 . . . . 15.0 109.479 177.335 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -59.87 -13.28 21.85 Favored 'Trans proline' 0 CA--C 1.532 0.405 0 C-N-CA 122.531 2.154 . . . . 15.0 113.391 -177.424 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.419 ' OD1' ' HB3' ' A' ' 22' ' ' ALA . 29.8 p-10 -80.51 -11.31 59.69 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 109.316 -0.624 . . . . 15.0 109.316 176.351 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 95.75 26.24 12.05 Favored Glycine 0 N--CA 1.44 -1.054 0 CA-C-N 115.345 -0.843 . . . . 15.0 113.142 175.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.416 ' C ' ' HD2' ' A' ' 21' ' ' HIS . 26.9 mmm180 -122.13 139.36 30.37 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 122.651 -0.323 . . . . 15.0 111.291 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.76 ' HA ' ' O ' ' A' ' 20' ' ' ARG . 98.5 Cg_endo -88.26 117.17 1.0 Allowed 'Trans proline' 0 N--CA 1.46 -0.489 0 C-N-CA 122.601 2.201 . . . . 15.0 112.442 175.448 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.498 ' HD1' ' H ' ' A' ' 28' ' ' PHE . 0.3 OUTLIER -105.35 124.0 48.81 Favored 'General case' 0 N--CA 1.436 -1.147 0 CA-C-N 113.546 -1.661 . . . . 15.0 108.099 174.804 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.544 ' HA ' ' O ' ' A' ' 18' ' ' GLU . 11.5 m-85 -89.7 114.09 25.69 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 109.203 -0.665 . . . . 15.0 109.203 -174.573 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.716 HG21 ' HB3' ' B' ' 117' ' ' TYR . 21.6 mt -94.86 127.93 46.45 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.164 0 CA-C-N 115.308 -0.86 . . . . 15.0 110.596 -176.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -90.09 104.32 16.9 Favored 'General case' 0 C--N 1.303 -1.416 0 CA-C-N 114.626 -1.17 . . . . 15.0 108.259 170.77 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.439 ' NE2' ' HB ' ' A' ' 30' ' ' ILE . 11.4 m170 -84.63 2.44 41.53 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.485 -0.78 . . . . 15.0 110.583 -173.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 12.2 m-80 -90.08 -57.68 2.77 Favored 'General case' 0 C--O 1.23 0.071 0 CA-C-O 121.135 0.493 . . . . 15.0 110.562 179.203 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.419 ' O ' ' HB2' ' A' ' 35' ' ' LYS . 0.6 OUTLIER -102.03 1.06 36.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.884 -0.598 . . . . 15.0 110.678 -175.827 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.779 ' HG3' ' HE1' ' B' ' 117' ' ' TYR . 0.8 OUTLIER 69.72 31.57 3.52 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 115.66 -0.7 . . . . 15.0 110.562 179.651 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -92.77 150.49 20.61 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.948 -0.569 . . . . 15.0 110.293 -178.838 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.831 ' HB ' ' HB2' ' B' ' 114' ' ' PRO . 14.0 p -131.98 135.95 46.94 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 120.994 0.426 . . . . 15.0 111.395 178.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.525 ' OG1' ' HG3' ' A' ' 40' ' ' GLU . 9.9 t -150.12 150.14 31.25 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.087 -0.506 . . . . 15.0 110.236 -178.259 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.452 ' CZ3' ' HB3' ' A' ' 28' ' ' PHE . 62.8 m95 -91.25 -16.22 27.95 Favored 'General case' 0 CA--C 1.508 -0.671 0 CA-C-O 121.073 0.463 . . . . 15.0 110.441 178.536 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.525 ' HG3' ' OG1' ' A' ' 38' ' ' THR . 1.2 pp20? -91.53 158.07 16.66 Favored 'General case' 0 N--CA 1.438 -1.035 0 CA-C-N 115.775 -0.648 . . . . 15.0 110.859 -172.507 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -87.77 130.69 45.9 Favored Pre-proline 0 C--N 1.318 -0.776 0 CA-C-N 115.289 -0.869 . . . . 15.0 111.353 -165.163 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -63.64 -9.9 20.1 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.954 2.436 . . . . 15.0 112.008 175.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 21.1 mmm-85 -60.56 -24.38 65.37 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.069 0.462 . . . . 15.0 110.301 177.132 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 91.0 mt -80.42 -9.45 59.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.697 -0.683 . . . . 15.0 110.696 178.708 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 42.4 mttp . . . . . 0 C--N 1.309 -1.153 0 CA-C-N 114.638 -1.164 . . . . 15.0 109.965 -176.861 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.479 1.009 0 CA-C-O 120.56 0.219 . . . . 15.0 110.746 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 48.3 mm 62.4 102.62 0.04 OUTLIER Pre-proline 0 N--CA 1.468 0.43 0 CA-C-N 115.718 -0.673 . . . . 15.0 112.525 176.639 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 114' ' ' PRO . . . . . 0.831 ' HB2' ' HB ' ' A' ' 37' ' ' THR . 11.8 Cg_exo -70.63 131.47 20.06 Favored 'Trans proline' 0 CA--C 1.53 0.278 0 C-N-CA 123.004 2.47 . . . . 15.0 111.51 173.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 115' ' ' PRO . . . . . 0.467 ' HA ' ' HD2' ' B' ' 116' ' ' PRO . 50.6 Cg_exo -58.09 129.32 32.52 Favored 'Trans proline' 0 CA--C 1.531 0.343 0 C-N-CA 122.806 2.338 . . . . 15.0 112.988 173.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 116' ' ' PRO . . . . . 0.467 ' HD2' ' HA ' ' B' ' 115' ' ' PRO . 7.0 Cg_endo -49.15 -179.46 0.01 OUTLIER 'Trans proline' 0 N--CA 1.414 -3.162 0 C-N-CA 125.005 3.804 . . . . 15.0 114.579 167.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 117' ' ' TYR . . . . . 0.779 ' HE1' ' HG3' ' A' ' 35' ' ' LYS . 23.1 p90 -71.93 119.8 16.62 Favored 'General case' 1 C--N 1.24 -4.175 1 CA-C-N 106.002 -5.09 . . . . 15.0 110.274 -179.217 . . . . . . . . 4 3 . 1 . 017 nuclear nobuild core ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 11.2 p -90.3 -8.29 10.67 Favored 'Isoleucine or valine' 0 C--O 1.234 0.273 0 CA-C-O 121.735 0.779 . . . . 15.0 109.595 178.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 . . . . . 0 C--N 1.323 -0.557 0 CA-C-N 114.828 -1.078 . . . . 15.0 110.268 -179.367 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.731 HD12 ' HG2' ' A' ' 42' ' ' PRO . 3.2 mm? . . . . . 0 C--O 1.233 0.192 0 N-CA-C 109.966 -0.383 . . . . 15.0 109.966 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.726 ' HB2' ' CD1' ' A' ' 17' ' ' TRP . 16.2 Cg_exo -49.26 150.9 7.05 Favored 'Trans proline' 0 CA--C 1.491 -1.635 0 C-N-CA 123.995 3.13 . . . . 15.0 115.434 176.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.78 135.7 55.24 Favored 'General case' 0 C--N 1.285 -2.208 0 CA-C-N 111.74 -2.482 . . . . 15.0 110.233 -172.413 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 79.14 -8.67 44.15 Favored Glycine 0 CA--C 1.522 0.495 0 CA-C-N 115.311 -0.859 . . . . 15.0 112.685 -173.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.726 ' CD1' ' HB2' ' A' ' 14' ' ' PRO . 53.5 m95 -89.87 115.96 27.58 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.283 -0.636 . . . . 15.0 109.283 175.03 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.526 ' O ' ' HA ' ' A' ' 29' ' ' PHE . 33.7 mm-40 -114.15 145.79 41.18 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-O 121.62 0.724 . . . . 15.0 112.234 -176.551 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.456 HG22 ' CD2' ' A' ' 29' ' ' PHE . 8.2 t -109.68 94.6 3.21 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.055 0 CA-C-N 114.231 -1.35 . . . . 15.0 109.72 -179.644 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.682 ' O ' ' HA ' ' A' ' 27' ' ' PRO . 13.5 ttm180 -107.76 146.33 32.31 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.161 -0.681 . . . . 15.0 109.161 177.299 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.667 ' HD2' ' N ' ' A' ' 27' ' ' PRO . 1.0 OUTLIER -111.7 116.5 30.85 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.852 -0.795 . . . . 15.0 108.852 -173.765 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.07 165.29 13.78 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 116.308 -0.406 . . . . 15.0 110.957 -178.76 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_exo -60.33 -22.96 73.0 Favored 'Trans proline' 0 C--N 1.35 0.611 0 C-N-CA 122.758 2.305 . . . . 15.0 113.291 -178.674 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 28.2 p30 -80.21 -10.15 59.75 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.781 0.8 . . . . 15.0 109.419 176.655 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 83.82 46.9 5.81 Favored Glycine 0 N--CA 1.433 -1.509 0 CA-C-N 114.553 -1.203 . . . . 15.0 112.294 -179.429 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 33.1 mmt180 -120.01 127.3 26.44 Favored Pre-proline 0 C--N 1.322 -0.627 0 N-CA-C 109.277 -0.638 . . . . 15.0 109.277 171.402 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.682 ' HA ' ' O ' ' A' ' 20' ' ' ARG . 97.9 Cg_endo -88.38 106.62 0.51 Allowed 'Trans proline' 0 N--CA 1.451 -0.977 0 C-N-CA 121.768 1.645 . . . . 15.0 111.913 176.799 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.618 ' HD1' ' H ' ' A' ' 28' ' ' PHE . 0.3 OUTLIER -92.34 122.61 34.96 Favored 'General case' 0 N--CA 1.438 -1.028 0 CA-C-N 113.65 -1.614 . . . . 15.0 108.471 176.877 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.526 ' HA ' ' O ' ' A' ' 18' ' ' GLU . 39.1 m-85 -89.7 113.46 24.97 Favored 'General case' 0 CA--C 1.504 -0.813 0 N-CA-C 109.141 -0.689 . . . . 15.0 109.141 -174.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.453 HG21 ' HB3' ' B' ' 117' ' ' TYR . 36.2 mt -93.59 126.2 46.05 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.14 0 CA-C-N 114.856 -1.066 . . . . 15.0 110.164 -178.068 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -90.07 105.83 18.07 Favored 'General case' 0 C--N 1.304 -1.409 0 N-CA-C 108.174 -1.047 . . . . 15.0 108.174 170.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.402 ' HD2' ' O ' ' A' ' 30' ' ' ILE . 13.7 m-70 -83.9 0.04 49.37 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 114.957 -1.02 . . . . 15.0 110.153 -173.711 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 23.4 m-80 -90.1 -72.83 0.55 Allowed 'General case' 0 C--O 1.233 0.184 0 CA-C-N 115.899 -0.591 . . . . 15.0 110.749 179.658 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.0 m -94.67 -2.52 51.1 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.13 0.49 . . . . 15.0 110.648 -173.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.8 mppt? 67.82 83.19 0.17 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.381 -0.827 . . . . 15.0 110.516 -176.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -136.29 150.26 48.82 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 114.553 -1.203 . . . . 15.0 108.639 179.366 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 1.031 ' HB ' ' HB2' ' B' ' 114' ' ' PRO . 4.3 p -140.04 127.03 20.83 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 120.94 0.4 . . . . 15.0 111.618 -176.237 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.401 ' OG1' ' HG3' ' A' ' 40' ' ' GLU . 9.2 t -150.07 150.17 31.34 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.081 -0.509 . . . . 15.0 109.973 -178.475 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 60.9 m95 -89.1 -11.74 43.14 Favored 'General case' 0 CA--C 1.514 -0.41 0 CA-C-O 120.902 0.382 . . . . 15.0 110.585 -178.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.401 ' HG3' ' OG1' ' A' ' 38' ' ' THR . 0.2 OUTLIER -104.8 160.09 15.27 Favored 'General case' 0 N--CA 1.441 -0.885 0 CA-C-O 121.456 0.646 . . . . 15.0 111.596 -171.055 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.726 ' HB3' ' HG3' ' A' ' 43' ' ' ARG . 6.4 m-20 -83.6 128.2 64.82 Favored Pre-proline 0 C--N 1.318 -0.767 0 CA-C-N 114.825 -1.079 . . . . 15.0 112.41 -167.064 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.731 ' HG2' HD12 ' A' ' 13' ' ' LEU . 34.9 Cg_endo -65.37 -9.74 23.37 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 123.128 2.552 . . . . 15.0 112.223 175.601 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.726 ' HG3' ' HB3' ' A' ' 41' ' ' ASP . 15.8 mtt180 -63.2 -14.68 51.91 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 116.207 -0.451 . . . . 15.0 110.514 -179.101 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 60.0 mt -79.81 -9.73 59.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.72 0.772 . . . . 15.0 111.255 -176.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 22.7 tptp . . . . . 0 C--N 1.308 -1.198 0 CA-C-N 114.892 -1.049 . . . . 15.0 110.082 -179.123 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 93.2 mt-30 . . . . . 0 N--CA 1.477 0.894 0 CA-C-O 120.788 0.328 . . . . 15.0 110.735 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 43.1 mm -117.61 113.04 38.59 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 116.044 -0.525 . . . . 15.0 109.604 178.126 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 114' ' ' PRO . . . . . 1.031 ' HB2' ' HB ' ' A' ' 37' ' ' THR . 3.0 Cg_exo -70.46 122.14 8.64 Favored 'Trans proline' 0 N--CA 1.458 -0.569 0 C-N-CA 121.956 1.771 . . . . 15.0 111.727 177.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 115' ' ' PRO . . . . . 0.571 ' HD2' ' CD2' ' A' ' 28' ' ' PHE . 97.1 Cg_endo -82.4 128.88 5.65 Favored 'Trans proline' 0 N--CA 1.462 -0.339 0 C-N-CA 122.648 2.232 . . . . 15.0 113.007 178.03 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 116' ' ' PRO . . . . . 0.498 ' HD2' ' HA ' ' B' ' 115' ' ' PRO . 6.4 Cg_endo -48.92 -179.71 0.01 OUTLIER 'Trans proline' 0 N--CA 1.414 -3.153 0 C-N-CA 125.054 3.836 . . . . 15.0 115.284 172.601 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 117' ' ' TYR . . . . . 0.453 ' HB3' HG21 ' A' ' 30' ' ' ILE . 31.4 p90 -63.82 135.73 56.84 Favored 'General case' 0 C--N 1.246 -3.922 1 CA-C-N 105.706 -5.224 . . . . 15.0 110.797 -176.056 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 42.6 t -100.29 -24.53 4.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 108.923 -0.769 . . . . 15.0 108.923 177.085 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 18.5 mp0 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 114.588 -1.187 . . . . 15.0 111.03 -176.479 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.9 mp . . . . . 0 C--O 1.235 0.302 0 CA-C-O 121.055 0.455 . . . . 15.0 111.696 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.731 ' HB2' ' CD1' ' A' ' 17' ' ' TRP . 13.4 Cg_exo -49.57 151.24 7.61 Favored 'Trans proline' 0 CA--C 1.495 -1.472 0 C-N-CA 124.564 3.51 . . . . 15.0 115.169 169.112 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.1 mptt -63.38 123.61 19.16 Favored 'General case' 0 C--N 1.287 -2.135 0 CA-C-N 111.522 -2.581 . . . . 15.0 110.732 -173.424 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 87.89 -3.85 85.82 Favored Glycine 0 C--O 1.227 -0.301 0 CA-C-N 115.387 -0.824 . . . . 15.0 112.578 -178.427 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.731 ' CD1' ' HB2' ' A' ' 14' ' ' PRO . 40.9 m95 -89.89 113.62 25.27 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.137 0.494 . . . . 15.0 109.873 176.711 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.639 ' O ' ' HA ' ' A' ' 29' ' ' PHE . 12.7 mm-40 -113.26 148.68 35.09 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.421 -0.809 . . . . 15.0 112.137 -175.208 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.534 HG22 ' CD2' ' A' ' 29' ' ' PHE . 5.6 t -118.35 109.38 26.92 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.061 0 CA-C-N 114.583 -1.19 . . . . 15.0 109.8 178.644 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.774 ' O ' ' HA ' ' A' ' 27' ' ' PRO . 33.2 ttm180 -127.15 149.96 49.72 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.964 -0.384 . . . . 15.0 109.964 176.5 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.672 ' HD2' ' N ' ' A' ' 27' ' ' PRO . 0.1 OUTLIER -103.09 110.67 22.7 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 108.929 -0.767 . . . . 15.0 108.929 -175.618 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.01 159.06 58.8 Favored Pre-proline 0 C--N 1.321 -0.641 0 N-CA-C 110.001 -0.37 . . . . 15.0 110.001 177.305 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -56.45 -15.84 16.56 Favored 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 123.032 2.488 . . . . 15.0 114.191 -176.342 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 29.8 p-10 -80.18 -14.87 58.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.344 0.592 . . . . 15.0 109.734 177.535 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 97.52 29.37 7.87 Favored Glycine 0 N--CA 1.439 -1.163 0 CA-C-N 115.265 -0.88 . . . . 15.0 112.67 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.446 HH11 ' HD3' ' A' ' 26' ' ' ARG . 23.8 mmt180 -119.31 134.16 23.75 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 122.62 -0.341 . . . . 15.0 111.361 177.718 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.774 ' HA ' ' O ' ' A' ' 20' ' ' ARG . 82.0 Cg_endo -88.55 111.27 0.62 Allowed 'Trans proline' 0 N--CA 1.456 -0.686 0 C-N-CA 122.56 2.173 . . . . 15.0 111.806 175.302 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.534 ' HD1' ' H ' ' A' ' 28' ' ' PHE . 0.4 OUTLIER -96.05 122.26 38.69 Favored 'General case' 0 N--CA 1.437 -1.075 0 CA-C-N 113.931 -1.486 . . . . 15.0 108.784 177.295 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.639 ' HA ' ' O ' ' A' ' 18' ' ' GLU . 15.6 m-85 -89.62 109.39 20.35 Favored 'General case' 0 N--CA 1.44 -0.932 0 N-CA-C 108.674 -0.862 . . . . 15.0 108.674 -176.277 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.718 HG21 ' HB3' ' B' ' 117' ' ' TYR . 32.5 mt -93.82 130.26 43.02 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.083 0 CA-C-N 115.185 -0.916 . . . . 15.0 110.314 -176.369 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -90.02 102.69 15.4 Favored 'General case' 0 C--N 1.306 -1.294 0 N-CA-C 108.262 -1.014 . . . . 15.0 108.262 170.318 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.497 ' NE2' ' HB ' ' A' ' 30' ' ' ILE . 12.0 m170 -80.84 2.99 24.08 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.1 -0.955 . . . . 15.0 110.703 -173.077 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 30.5 m-80 -89.7 -61.77 1.62 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.231 -0.44 . . . . 15.0 110.249 177.061 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.2 m -94.26 3.66 54.93 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-N 116.042 -0.526 . . . . 15.0 111.07 -175.331 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.577 ' HG3' ' CE1' ' B' ' 117' ' ' TYR . 12.8 mptt 67.61 25.5 8.26 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 115.928 -0.578 . . . . 15.0 111.065 176.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 59.9 p -103.6 150.08 24.3 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.195 -0.457 . . . . 15.0 110.596 -175.508 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.521 ' HB ' ' HB2' ' B' ' 114' ' ' PRO . 1.2 p -127.57 148.66 50.35 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 112.355 0.502 . . . . 15.0 112.355 -176.5 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 9.0 t -150.21 150.13 31.15 Favored 'General case' 0 C--O 1.222 -0.368 0 CA-C-N 115.857 -0.611 . . . . 15.0 109.681 177.278 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.443 ' CZ2' ' HG3' ' B' ' 112' ' ' GLN . 81.8 m95 -88.55 -13.85 39.09 Favored 'General case' 0 CA--C 1.508 -0.655 0 CA-C-O 121.039 0.447 . . . . 15.0 110.547 178.826 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -104.49 157.42 17.17 Favored 'General case' 0 N--CA 1.436 -1.138 0 CA-C-O 121.458 0.647 . . . . 15.0 111.202 -169.697 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -79.49 136.18 56.29 Favored Pre-proline 0 C--N 1.317 -0.828 0 CA-C-N 115.01 -0.996 . . . . 15.0 111.809 -166.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_endo -64.97 -9.83 23.02 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.493 2.129 . . . . 15.0 111.857 175.452 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.463 ' HD3' ' HA ' ' A' ' 43' ' ' ARG . 29.4 mmt180 -80.37 -9.57 59.75 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.644 -0.707 . . . . 15.0 110.98 177.67 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 88.9 mt -74.28 -9.89 59.05 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-O 121.679 0.752 . . . . 15.0 110.617 176.71 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 9.2 mptt . . . . . 0 C--N 1.311 -1.073 0 CA-C-N 114.66 -1.154 . . . . 15.0 109.592 176.195 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 112' ' ' GLN . . . . . 0.443 ' HG3' ' CZ2' ' A' ' 39' ' ' TRP . 27.6 tp60 . . . . . 0 N--CA 1.477 0.882 0 N-CA-C 109.808 -0.441 . . . . 15.0 109.808 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 113' ' ' ILE . . . . . 0.853 HD13 ' H ' ' B' ' 113' ' ' ILE . 0.2 OUTLIER -76.76 128.49 81.6 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-N 116.265 -0.425 . . . . 15.0 111.001 179.521 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 114' ' ' PRO . . . . . 0.521 ' HB2' ' HB ' ' A' ' 37' ' ' THR . 57.4 Cg_endo -84.02 122.89 3.03 Favored 'Trans proline' 0 N--CA 1.458 -0.595 0 C-N-CA 122.753 2.302 . . . . 15.0 112.518 175.651 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 115' ' ' PRO . . . . . 0.448 ' HA ' ' HD2' ' B' ' 116' ' ' PRO . 51.5 Cg_exo -58.96 126.41 21.0 Favored 'Trans proline' 0 N--CA 1.475 0.422 0 C-N-CA 123.191 2.594 . . . . 15.0 113.555 175.464 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 116' ' ' PRO . . . . . 0.448 ' HD2' ' HA ' ' B' ' 115' ' ' PRO . 7.9 Cg_endo -49.47 -179.41 0.01 OUTLIER 'Trans proline' 0 N--CA 1.413 -3.222 0 C-N-CA 124.868 3.712 . . . . 15.0 114.602 165.483 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 117' ' ' TYR . . . . . 0.718 ' HB3' HG21 ' A' ' 30' ' ' ILE . 11.2 p90 -74.48 119.89 19.29 Favored 'General case' 1 C--N 1.242 -4.092 1 CA-C-N 106.153 -5.021 . . . . 15.0 109.951 179.927 . . . . . . . . 4 3 . 1 . 019 nuclear nobuild core ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 8.9 t -90.5 -0.17 8.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 122.024 0.916 . . . . 15.0 109.14 178.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 119' ' ' GLU . . . . . 0.469 ' CD ' HH22 ' A' ' 20' ' ' ARG . 5.3 mm-40 . . . . . 0 C--N 1.324 -0.523 0 CA-C-N 114.619 -1.173 . . . . 15.0 110.57 -177.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.2 mp . . . . . 0 C--O 1.236 0.344 0 N-CA-C 110.464 -0.198 . . . . 15.0 110.464 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.737 ' HB2' ' CD1' ' A' ' 17' ' ' TRP . 7.3 Cg_exo -49.54 151.19 7.6 Favored 'Trans proline' 0 CA--C 1.492 -1.599 0 C-N-CA 123.939 3.093 . . . . 15.0 114.943 171.465 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 19.9 pttm -57.06 133.72 55.21 Favored 'General case' 0 C--N 1.289 -2.045 0 CA-C-N 111.489 -2.596 . . . . 15.0 110.941 -172.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 74.22 1.0 59.17 Favored Glycine 0 C--N 1.319 -0.41 0 CA-C-N 115.571 -0.74 . . . . 15.0 113.644 -179.717 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.737 ' CD1' ' HB2' ' A' ' 14' ' ' PRO . 49.1 m95 -89.89 114.58 26.39 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 117.571 0.686 . . . . 15.0 110.236 178.062 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.549 ' O ' ' HA ' ' A' ' 29' ' ' PHE . 2.8 mm-40 -113.86 149.98 34.27 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.275 -0.875 . . . . 15.0 112.096 -175.114 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.484 HG22 ' CD2' ' A' ' 29' ' ' PHE . 12.7 t -118.02 112.74 39.75 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.941 0 CA-C-N 114.489 -1.232 . . . . 15.0 109.574 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.723 ' O ' ' HA ' ' A' ' 27' ' ' PRO . 8.8 ttm180 -128.76 140.41 51.74 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 120.794 -0.362 . . . . 15.0 110.202 177.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.686 ' HD2' ' N ' ' A' ' 27' ' ' PRO . 0.0 OUTLIER -89.97 114.84 26.74 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.324 -0.621 . . . . 15.0 109.324 175.918 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.47 163.66 56.73 Favored Pre-proline 0 C--N 1.322 -0.595 0 N-CA-C 109.462 -0.57 . . . . 15.0 109.462 175.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_exo -57.63 -13.1 13.0 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.766 2.311 . . . . 15.0 113.598 -178.317 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 35.0 p-10 -80.56 -18.16 49.21 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-O 121.198 0.523 . . . . 15.0 110.041 -179.413 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 104.33 10.92 32.72 Favored Glycine 0 N--CA 1.441 -0.996 0 C-N-CA 120.75 -0.738 . . . . 15.0 112.872 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.452 ' C ' ' HD2' ' A' ' 21' ' ' HIS . 10.7 mmm180 -111.5 141.56 24.78 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-O 120.84 0.353 . . . . 15.0 111.497 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.723 ' HA ' ' O ' ' A' ' 20' ' ' ARG . 81.3 Cg_endo -88.66 120.11 1.15 Allowed 'Trans proline' 0 N--CA 1.454 -0.798 0 C-N-CA 122.544 2.162 . . . . 15.0 111.585 171.154 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.478 ' HD1' ' H ' ' A' ' 28' ' ' PHE . 0.3 OUTLIER -105.38 122.88 46.89 Favored 'General case' 0 C--N 1.313 -0.998 0 CA-C-N 114.195 -1.366 . . . . 15.0 108.383 176.284 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.549 ' HA ' ' O ' ' A' ' 18' ' ' GLU . 4.0 m-85 -89.86 118.68 29.62 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.606 -0.725 . . . . 15.0 109.386 -174.463 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.693 HG21 ' HB3' ' B' ' 117' ' ' TYR . 22.0 mt -102.9 133.91 45.39 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.905 0 CA-C-N 115.396 -0.82 . . . . 15.0 111.02 -176.052 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -89.92 109.85 20.84 Favored 'General case' 0 C--N 1.31 -1.116 0 N-CA-C 108.002 -1.111 . . . . 15.0 108.002 169.238 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.465 ' NE2' ' HB ' ' A' ' 30' ' ' ILE . 11.9 m170 -89.27 6.57 39.72 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.826 -0.625 . . . . 15.0 110.706 -174.302 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 28.2 m-80 -90.06 -61.0 1.78 Allowed 'General case' 0 N--CA 1.462 0.173 0 CA-C-O 120.998 0.427 . . . . 15.0 110.853 179.433 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 21.5 m -107.13 -8.55 16.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.506 0.669 . . . . 15.0 110.332 -176.216 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.534 ' NZ ' ' HB3' ' A' ' 35' ' ' LYS . 0.0 OUTLIER 72.46 82.84 0.13 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 114.864 -1.062 . . . . 15.0 110.446 179.422 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 7.6 p -141.87 150.11 41.13 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.789 -1.096 . . . . 15.0 108.622 173.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.929 ' HB ' ' HB2' ' B' ' 114' ' ' PRO . 3.5 p -130.55 138.37 50.15 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.171 0.51 . . . . 15.0 112.359 -173.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 7.0 t -150.11 147.0 27.24 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 115.672 -0.695 . . . . 15.0 109.228 179.111 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 31.4 m95 -88.76 -28.69 20.33 Favored 'General case' 0 CA--C 1.508 -0.656 0 CA-C-O 121.73 0.776 . . . . 15.0 110.241 -179.249 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.468 ' CD ' ' H ' ' A' ' 40' ' ' GLU . 2.3 pm0 -84.64 126.83 33.7 Favored 'General case' 0 C--N 1.31 -1.122 0 CA-C-N 114.162 -1.381 . . . . 15.0 110.701 -173.487 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -52.03 133.27 39.93 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 114.234 -1.348 . . . . 15.0 111.531 -174.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_endo -63.93 -11.52 27.5 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.795 2.33 . . . . 15.0 112.69 179.506 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 39.1 mmt180 -80.02 -9.91 59.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.317 -0.401 . . . . 15.0 110.91 178.161 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 90.6 mt -76.68 -9.73 58.87 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.412 0.625 . . . . 15.0 111.54 -178.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 56.3 tttm . . . . . 0 C--N 1.309 -1.173 0 CA-C-N 115.245 -0.889 . . . . 15.0 110.147 -178.383 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 10.6 tp60 . . . . . 0 N--CA 1.478 0.938 0 N-CA-C 109.711 -0.477 . . . . 15.0 109.711 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 70.2 mt -81.19 112.13 30.36 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 116.618 -0.265 . . . . 15.0 110.471 178.443 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 114' ' ' PRO . . . . . 0.929 ' HB2' ' HB ' ' A' ' 37' ' ' THR . 6.3 Cg_exo -72.13 129.48 15.18 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 122.196 1.931 . . . . 15.0 112.321 177.481 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 115' ' ' PRO . . . . . 0.475 ' HA ' ' HD2' ' B' ' 116' ' ' PRO . 53.2 Cg_exo -57.36 130.21 38.05 Favored 'Trans proline' 0 CA--C 1.53 0.306 0 C-N-CA 122.907 2.405 . . . . 15.0 113.046 173.301 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 116' ' ' PRO . . . . . 0.475 ' HD2' ' HA ' ' B' ' 115' ' ' PRO . 6.6 Cg_endo -48.92 -179.47 0.01 OUTLIER 'Trans proline' 0 N--CA 1.415 -3.137 0 C-N-CA 124.764 3.643 . . . . 15.0 114.835 167.6 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 117' ' ' TYR . . . . . 0.693 ' HB3' HG21 ' A' ' 30' ' ' ILE . 30.8 p90 -71.32 148.37 47.15 Favored 'General case' 0 C--N 1.244 -3.987 1 CA-C-N 105.997 -5.092 . . . . 15.0 110.558 -177.66 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 39.2 t -110.74 -28.18 2.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-O 121.594 0.711 . . . . 15.0 109.289 175.287 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 . . . . . 0 C--N 1.326 -0.428 0 CA-C-N 114.935 -1.029 . . . . 15.0 110.359 -179.664 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 52.5 p90 . . . . . 0 N--CA 1.485 1.276 0 CA-C-O 121.006 0.431 . . . . 15.0 111.062 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.93 HD11 HG23 ' A' ' 19' ' ' VAL . 81.9 mt -108.51 150.64 40.93 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 116.019 -0.537 . . . . 15.0 111.413 -177.09 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.765 ' HB2' ' CD1' ' A' ' 17' ' ' TRP . 1.3 Cg_exo -49.57 151.12 7.77 Favored 'Trans proline' 0 CA--C 1.495 -1.473 0 C-N-CA 123.675 2.917 . . . . 15.0 113.988 160.023 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -61.04 121.17 11.77 Favored 'General case' 0 C--N 1.284 -2.272 0 CA-C-N 111.582 -2.554 . . . . 15.0 110.495 -171.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.18 10.94 77.03 Favored Glycine 0 N--CA 1.452 -0.264 0 CA-C-N 115.82 -0.627 . . . . 15.0 112.788 179.436 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.765 ' CD1' ' HB2' ' A' ' 14' ' ' PRO . 37.0 m95 -96.24 139.98 31.59 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.212 0.529 . . . . 15.0 111.111 178.29 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.664 ' O ' ' HA ' ' A' ' 29' ' ' PHE . 0.9 OUTLIER -122.31 150.28 42.58 Favored 'General case' 0 CA--C 1.504 -0.794 0 CA-C-N 115.332 -0.849 . . . . 15.0 111.643 -178.233 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.93 HG23 HD11 ' A' ' 13' ' ' LEU . 33.9 t -122.72 90.09 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.487 0 CA-C-N 113.881 -1.508 . . . . 15.0 108.05 170.017 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.753 ' O ' ' HA ' ' A' ' 27' ' ' PRO . 19.9 ttm180 -115.01 141.3 48.19 Favored 'General case' 0 C--N 1.319 -0.735 0 C-N-CA 120.603 -0.439 . . . . 15.0 110.326 -176.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.627 ' HD2' ' N ' ' A' ' 27' ' ' PRO . 0.1 OUTLIER -98.0 113.54 25.42 Favored 'General case' 0 C--N 1.315 -0.907 0 N-CA-C 108.512 -0.922 . . . . 15.0 108.512 -178.582 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.409 ' HB3' ' OD1' ' A' ' 24' ' ' ASN . . . -66.95 162.24 55.1 Favored Pre-proline 0 C--N 1.322 -0.621 0 N-CA-C 109.465 -0.568 . . . . 15.0 109.465 177.129 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -59.28 -11.42 13.22 Favored 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 122.727 2.285 . . . . 15.0 113.368 -178.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.409 ' OD1' ' HB3' ' A' ' 22' ' ' ALA . 16.6 p30 -80.54 -11.42 59.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.431 0.634 . . . . 15.0 109.847 175.705 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 88.36 28.06 23.49 Favored Glycine 0 N--CA 1.438 -1.176 0 CA-C-N 115.177 -0.92 . . . . 15.0 112.658 179.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -121.06 133.86 24.25 Favored Pre-proline 0 C--N 1.321 -0.638 0 O-C-N 122.669 -0.312 . . . . 15.0 110.377 178.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.753 ' HA ' ' O ' ' A' ' 20' ' ' ARG . 83.3 Cg_endo -88.81 112.64 0.63 Allowed 'Trans proline' 0 N--CA 1.456 -0.68 0 C-N-CA 122.295 1.997 . . . . 15.0 112.154 176.559 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.534 ' HD1' ' H ' ' A' ' 28' ' ' PHE . 0.5 OUTLIER -100.36 125.21 46.58 Favored 'General case' 0 N--CA 1.442 -0.871 0 CA-C-N 113.795 -1.548 . . . . 15.0 108.932 177.451 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.664 ' HA ' ' O ' ' A' ' 18' ' ' GLU . 9.0 m-85 -89.94 115.22 27.08 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.828 -0.624 . . . . 15.0 109.858 -174.609 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.92 HG21 ' HB3' ' B' ' 117' ' ' TYR . 18.7 mt -97.59 137.72 24.43 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-N 115.71 -0.677 . . . . 15.0 111.075 -177.159 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.412 ' HB3' ' OG1' ' A' ' 36' ' ' THR . 8.4 t70 -100.52 106.22 17.73 Favored 'General case' 0 C--N 1.311 -1.079 0 N-CA-C 108.494 -0.928 . . . . 15.0 108.494 168.345 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.413 ' CE1' ' HB2' ' B' ' 117' ' ' TYR . 12.1 m170 -81.68 0.99 36.24 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 114.81 -1.086 . . . . 15.0 111.181 -171.047 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 26.5 m-80 -90.12 -60.18 2.0 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.973 -0.558 . . . . 15.0 110.787 -179.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.8 m -101.29 16.05 26.81 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.342 -0.39 . . . . 15.0 111.424 -173.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.878 ' HD3' ' HE1' ' B' ' 117' ' ' TYR . 70.0 mmtt 66.24 21.38 11.06 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 116.204 -0.453 . . . . 15.0 111.292 175.607 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.412 ' OG1' ' HB3' ' A' ' 31' ' ' ASP . 47.1 p -97.86 150.16 21.59 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.781 -0.367 . . . . 15.0 110.644 -173.599 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.718 ' HB ' ' HG2' ' B' ' 114' ' ' PRO . 4.2 p -133.23 142.46 48.58 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.665 0.269 . . . . 15.0 111.094 179.63 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.683 ' OG1' ' HG3' ' A' ' 40' ' ' GLU . 8.8 t -150.11 150.28 31.46 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.418 -0.356 . . . . 15.0 110.823 -178.465 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 62.5 m95 -89.4 -10.68 45.62 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.097 0.475 . . . . 15.0 110.381 179.322 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.683 ' HG3' ' OG1' ' A' ' 38' ' ' THR . 2.6 pp20? -95.04 159.04 15.2 Favored 'General case' 0 N--CA 1.443 -0.812 0 CA-C-N 115.731 -0.668 . . . . 15.0 109.969 -174.752 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.451 ' HA ' ' HD2' ' A' ' 42' ' ' PRO . 38.8 t0 -114.98 118.69 40.21 Favored Pre-proline 0 C--N 1.32 -0.687 0 CA-C-N 116.118 -0.492 . . . . 15.0 111.552 -169.001 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.451 ' HD2' ' HA ' ' A' ' 41' ' ' ASP . 28.0 Cg_endo -63.14 -17.64 61.16 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 123.341 2.694 . . . . 15.0 112.216 176.794 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.414 ' HB3' ' OD2' ' A' ' 41' ' ' ASP . 26.0 ttp180 -77.42 -24.5 50.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.908 -0.587 . . . . 15.0 110.926 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 84.4 mt -77.35 -9.85 59.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.532 0.682 . . . . 15.0 111.348 -177.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.307 -1.254 0 CA-C-N 114.926 -1.034 . . . . 15.0 108.847 179.236 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 . . . . . 0 N--CA 1.481 1.086 0 N-CA-C 109.757 -0.461 . . . . 15.0 109.757 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 113' ' ' ILE . . . . . 0.728 HD13 ' H ' ' B' ' 113' ' ' ILE . 0.2 OUTLIER -107.07 125.03 33.51 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 120.918 0.39 . . . . 15.0 111.952 -172.905 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 114' ' ' PRO . . . . . 0.718 ' HG2' ' HB ' ' A' ' 37' ' ' THR . 50.5 Cg_endo -84.06 128.81 4.44 Favored 'Trans proline' 0 N--CA 1.458 -0.569 0 C-N-CA 122.785 2.323 . . . . 15.0 112.274 175.637 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 115' ' ' PRO . . . . . 0.448 ' HA ' ' HD2' ' B' ' 116' ' ' PRO . 52.4 Cg_exo -55.49 127.36 25.88 Favored 'Trans proline' 0 N--CA 1.477 0.514 0 C-N-CA 123.053 2.502 . . . . 15.0 113.912 176.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 116' ' ' PRO . . . . . 0.448 ' HD2' ' HA ' ' B' ' 115' ' ' PRO . 7.9 Cg_endo -49.67 -179.58 0.02 OUTLIER 'Trans proline' 0 N--CA 1.416 -3.068 0 C-N-CA 125.017 3.811 . . . . 15.0 115.076 167.124 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 117' ' ' TYR . . . . . 0.92 ' HB3' HG21 ' A' ' 30' ' ' ILE . 3.0 p90 -93.1 139.42 30.59 Favored 'General case' 1 C--N 1.243 -4.031 1 CA-C-N 105.807 -5.179 . . . . 15.0 110.421 -178.969 . . . . . . . . 4 3 . 1 . 001 nuclear nobuild full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 45.7 t -106.03 -43.82 7.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 121.658 0.742 . . . . 15.0 109.049 172.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 119' ' ' GLU . . . . . 0.521 ' CD ' ' H ' ' B' ' 119' ' ' GLU . 1.5 pm0 -89.98 127.4 53.89 Favored Pre-proline 0 C--N 1.321 -0.652 0 CA-C-N 114.765 -1.107 . . . . 15.0 110.561 178.433 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 120' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--O 1.25 1.079 0 C-N-CA 123.136 2.557 . . . . 15.0 112.526 -177.262 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.826 ' HE2' ' HD3' ' A' ' 43' ' ' ARG . 49.8 t80 . . . . . 0 N--CA 1.481 1.085 0 CA-C-O 121.419 0.628 . . . . 15.0 110.239 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.431 HD13 ' HA ' ' A' ' 13' ' ' LEU . 3.9 mm? -116.32 138.83 24.62 Favored Pre-proline 0 C--N 1.32 -0.708 0 CA-C-N 115.619 -0.719 . . . . 15.0 110.949 -176.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.751 ' HB2' ' CD1' ' A' ' 17' ' ' TRP . 5.7 Cg_exo -49.8 151.44 8.11 Favored 'Trans proline' 0 CA--C 1.498 -1.288 0 C-N-CA 124.522 3.481 . . . . 15.0 115.27 171.306 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 53.7 tttm -52.51 120.42 5.59 Favored 'General case' 0 C--N 1.296 -1.74 0 CA-C-N 111.355 -2.657 . . . . 15.0 111.47 -173.506 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 82.31 3.32 90.59 Favored Glycine 0 N--CA 1.45 -0.401 0 CA-C-N 115.948 -0.569 . . . . 15.0 112.922 176.374 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.751 ' CD1' ' HB2' ' A' ' 14' ' ' PRO . 45.6 m95 -90.05 122.49 33.09 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.411 0.624 . . . . 15.0 110.454 177.616 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.729 ' O ' ' HA ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -106.76 150.34 26.4 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 115.188 -0.914 . . . . 15.0 110.708 -178.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.542 HG22 ' CD2' ' A' ' 29' ' ' PHE . 13.9 t -132.21 89.94 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.486 0 CA-C-N 114.575 -1.193 . . . . 15.0 108.956 176.725 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.706 ' O ' ' HA ' ' A' ' 27' ' ' PRO . 15.7 ttm180 -117.58 147.28 42.98 Favored 'General case' 0 C--N 1.316 -0.886 0 C-N-CA 120.455 -0.498 . . . . 15.0 110.086 -177.314 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.648 ' HD2' ' N ' ' A' ' 27' ' ' PRO . 0.1 OUTLIER -104.76 109.79 21.88 Favored 'General case' 0 C--N 1.31 -1.136 0 N-CA-C 108.15 -1.056 . . . . 15.0 108.15 -173.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.08 163.67 22.47 Favored Pre-proline 0 C--N 1.323 -0.582 0 O-C-N 123.284 0.365 . . . . 15.0 110.25 -179.218 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_exo -58.14 -15.13 21.85 Favored 'Trans proline' 0 C--N 1.35 0.637 0 C-N-CA 122.684 2.256 . . . . 15.0 113.47 -178.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 19.5 p30 -80.43 -10.07 59.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.346 0.593 . . . . 15.0 109.693 176.504 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 86.78 27.83 28.1 Favored Glycine 0 N--CA 1.439 -1.156 0 CA-C-N 115.21 -0.905 . . . . 15.0 112.704 178.68 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -117.78 134.37 23.25 Favored Pre-proline 0 C--N 1.326 -0.452 0 N-CA-C 110.082 -0.34 . . . . 15.0 110.082 177.705 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.706 ' HA ' ' O ' ' A' ' 20' ' ' ARG . 98.9 Cg_endo -88.81 117.83 0.91 Allowed 'Trans proline' 0 N--CA 1.456 -0.705 0 C-N-CA 122.451 2.1 . . . . 15.0 112.208 176.365 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.453 ' CE2' HD11 ' A' ' 30' ' ' ILE . 1.1 p90 -104.61 121.76 44.21 Favored 'General case' 0 N--CA 1.437 -1.106 0 CA-C-N 114.155 -1.384 . . . . 15.0 108.924 177.738 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.729 ' HA ' ' O ' ' A' ' 18' ' ' GLU . 6.6 m-85 -89.71 118.33 29.24 Favored 'General case' 0 N--CA 1.442 -0.87 0 CA-C-N 115.576 -0.738 . . . . 15.0 109.345 -176.648 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.895 HG21 ' HB3' ' B' ' 117' ' ' TYR . 14.3 mt -105.1 136.74 37.6 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.937 0 CA-C-N 115.833 -0.622 . . . . 15.0 110.794 -177.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.546 ' HB3' ' HB ' ' A' ' 36' ' ' THR . 0.4 OUTLIER -89.99 109.76 20.78 Favored 'General case' 0 C--N 1.309 -1.191 0 CA-C-N 114.891 -1.05 . . . . 15.0 108.596 169.821 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.571 ' NE2' ' HB ' ' A' ' 30' ' ' ILE . 13.0 m170 -93.31 1.89 56.8 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.024 -0.989 . . . . 15.0 110.753 -173.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 13.3 m-80 -84.6 -22.74 29.89 Favored 'General case' 0 CA--C 1.516 -0.351 0 N-CA-C 109.416 -0.587 . . . . 15.0 109.416 177.34 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.767 HG22 ' HG3' ' A' ' 35' ' ' LYS . 24.8 m -135.54 -79.08 0.43 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.743 -0.662 . . . . 15.0 111.064 179.125 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.767 ' HG3' HG22 ' A' ' 34' ' ' THR . 0.0 OUTLIER 173.99 24.45 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 111.621 0.23 . . . . 15.0 111.621 -178.148 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.546 ' HB ' ' HB3' ' A' ' 31' ' ' ASP . 1.0 OUTLIER -89.83 150.44 22.24 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 120.517 -0.473 . . . . 15.0 110.426 -168.134 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 1.026 ' HB ' ' HB2' ' B' ' 114' ' ' PRO . 16.9 p -139.39 132.9 30.3 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.089 0.471 . . . . 15.0 111.709 -177.252 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.548 ' OG1' ' HG3' ' A' ' 40' ' ' GLU . 8.1 t -150.08 150.0 31.09 Favored 'General case' 0 C--O 1.221 -0.433 0 CA-C-N 116.034 -0.53 . . . . 15.0 110.198 -179.69 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 64.4 m95 -91.89 -14.19 30.04 Favored 'General case' 0 CA--C 1.511 -0.524 0 CA-C-O 121.441 0.639 . . . . 15.0 110.345 177.609 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.548 ' HG3' ' OG1' ' A' ' 38' ' ' THR . 0.3 OUTLIER -94.25 157.88 15.85 Favored 'General case' 0 N--CA 1.437 -1.125 0 CA-C-N 115.622 -0.717 . . . . 15.0 110.503 -173.424 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.674 ' OD1' ' HB3' ' A' ' 43' ' ' ARG . 10.0 t0 -98.49 128.99 31.36 Favored Pre-proline 0 C--N 1.316 -0.882 0 CA-C-N 115.609 -0.723 . . . . 15.0 111.233 -163.467 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -66.88 -12.75 37.27 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 123.001 2.467 . . . . 15.0 112.612 178.571 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.826 ' HD3' ' HE2' ' A' ' 12' ' ' PHE . 9.9 ttp180 -79.46 -14.91 58.59 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.806 0.812 . . . . 15.0 110.051 175.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 85.8 mt -78.65 -9.47 59.4 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.183 -0.917 . . . . 15.0 110.146 174.461 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt . . . . . 0 C--O 1.249 1.031 0 CA-C-N 114.667 -1.152 . . . . 15.0 109.724 178.011 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.48 1.041 0 N-CA-C 110.101 -0.333 . . . . 15.0 110.101 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 113' ' ' ILE . . . . . 0.417 ' H ' HG13 ' B' ' 113' ' ' ILE . 56.4 mt -45.9 118.32 4.28 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.073 0.858 . . . . 15.0 111.859 179.246 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 114' ' ' PRO . . . . . 1.026 ' HB2' ' HB ' ' A' ' 37' ' ' THR . 23.8 Cg_exo -62.96 132.87 38.75 Favored 'Trans proline' 0 CA--C 1.533 0.427 0 C-N-CA 122.648 2.232 . . . . 15.0 111.901 176.361 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 115' ' ' PRO . . . . . 0.415 ' HA ' ' HD2' ' B' ' 116' ' ' PRO . 39.1 Cg_exo -58.12 123.71 14.27 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.707 2.271 . . . . 15.0 113.074 175.03 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 116' ' ' PRO . . . . . 0.415 ' HD2' ' HA ' ' B' ' 115' ' ' PRO . 6.5 Cg_endo -48.86 -179.53 0.01 OUTLIER 'Trans proline' 0 N--CA 1.416 -3.072 0 C-N-CA 125.182 3.921 . . . . 15.0 114.602 167.853 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 117' ' ' TYR . . . . . 0.895 ' HB3' HG21 ' A' ' 30' ' ' ILE . 8.1 p90 -93.68 123.49 37.05 Favored 'General case' 1 C--N 1.239 -4.207 1 CA-C-N 105.964 -5.107 . . . . 15.0 110.149 -178.742 . . . . . . . . 4 3 . 1 . 002 nuclear nobuild full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 27.6 m -98.31 -0.97 10.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.726 0.774 . . . . 15.0 109.475 173.601 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 119' ' ' GLU . . . . . 0.481 ' HA ' ' HD3' ' B' ' 120' ' ' PRO . 5.6 pt-20 -139.52 125.6 12.15 Favored Pre-proline 0 C--N 1.321 -0.637 0 CA-C-N 114.564 -1.198 . . . . 15.0 110.087 -177.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 120' ' ' PRO . . . . . 0.481 ' HD3' ' HA ' ' B' ' 119' ' ' GLU . 13.5 Cg_exo . . . . . 0 C--O 1.247 0.947 0 C-N-CA 123.035 2.49 . . . . 15.0 112.232 -178.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 17.8 p90 . . . . . 0 N--CA 1.481 1.082 0 CA-C-O 121.366 0.603 . . . . 15.0 110.505 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.664 HD12 ' HG2' ' A' ' 42' ' ' PRO . 3.3 mm? -120.19 153.2 55.49 Favored Pre-proline 0 C--N 1.322 -0.623 0 CA-C-N 115.648 -0.706 . . . . 15.0 109.784 178.002 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.756 ' HB2' ' CD1' ' A' ' 17' ' ' TRP . 13.0 Cg_exo -49.87 151.3 8.47 Favored 'Trans proline' 0 CA--C 1.491 -1.667 0 C-N-CA 123.737 2.958 . . . . 15.0 114.697 170.151 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.454 ' HD3' ' HA ' ' A' ' 15' ' ' LYS . 27.4 mmtp -67.5 128.21 35.58 Favored 'General case' 0 C--N 1.283 -2.307 0 CA-C-N 112.01 -2.359 . . . . 15.0 111.225 -171.766 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.16 -4.53 85.39 Favored Glycine 0 C--O 1.225 -0.441 0 CA-C-N 114.903 -1.044 . . . . 15.0 112.216 -174.617 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.756 ' CD1' ' HB2' ' A' ' 14' ' ' PRO . 40.3 m95 -89.75 123.89 34.15 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.007 0.432 . . . . 15.0 109.861 176.025 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.449 ' O ' ' HA ' ' A' ' 29' ' ' PHE . 23.2 mt-10 -124.17 140.9 52.52 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-O 121.973 0.892 . . . . 15.0 112.261 -176.094 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.512 HG22 ' CD2' ' A' ' 29' ' ' PHE . 9.9 t -111.2 100.59 11.08 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.553 0 CA-C-N 113.851 -1.522 . . . . 15.0 109.654 -179.491 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.659 ' O ' ' HA ' ' A' ' 27' ' ' PRO . 0.1 OUTLIER -117.51 145.4 44.24 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.675 -0.491 . . . . 15.0 109.675 179.351 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.653 ' HD2' ' N ' ' A' ' 27' ' ' PRO . 1.3 m170 -90.02 113.25 24.9 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.173 -0.677 . . . . 15.0 109.173 176.084 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.24 164.86 55.91 Favored Pre-proline 0 C--N 1.32 -0.706 0 CA-C-N 116.231 -0.441 . . . . 15.0 110.01 177.132 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -56.3 -9.8 3.96 Favored 'Trans proline' 0 C--N 1.35 0.65 0 C-N-CA 123.248 2.632 . . . . 15.0 113.192 177.696 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 62.8 t30 -80.02 -9.99 59.74 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.667 -0.864 . . . . 15.0 108.667 178.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 83.87 33.09 22.27 Favored Glycine 0 N--CA 1.44 -1.07 0 CA-C-N 114.914 -1.039 . . . . 15.0 111.655 179.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.579 ' C ' ' HD2' ' A' ' 21' ' ' HIS . 29.4 mmt180 -140.59 146.51 45.12 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-O 120.598 0.237 . . . . 15.0 110.739 -173.693 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.659 ' HA ' ' O ' ' A' ' 20' ' ' ARG . 84.0 Cg_endo -88.29 112.61 0.72 Allowed 'Trans proline' 0 N--CA 1.46 -0.474 0 C-N-CA 122.754 2.303 . . . . 15.0 111.994 174.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.603 ' HD1' ' H ' ' A' ' 28' ' ' PHE . 0.4 OUTLIER -99.8 124.39 45.03 Favored 'General case' 0 N--CA 1.438 -1.032 0 CA-C-N 114.484 -1.234 . . . . 15.0 108.062 174.179 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.512 ' CD2' HG22 ' A' ' 19' ' ' VAL . 5.7 m-85 -89.74 113.53 25.06 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.422 -0.808 . . . . 15.0 109.096 -174.636 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.676 HG21 ' HB3' ' B' ' 117' ' ' TYR . 20.4 mt -98.65 130.65 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.3 0 CA-C-N 115.243 -0.889 . . . . 15.0 111.002 -177.802 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -90.35 103.32 16.01 Favored 'General case' 0 C--N 1.304 -1.39 0 CA-C-N 114.628 -1.169 . . . . 15.0 108.364 168.338 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.468 ' CD2' ' HB ' ' A' ' 30' ' ' ILE . 12.3 m-70 -81.24 1.77 30.84 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 114.792 -1.095 . . . . 15.0 110.828 -173.706 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 26.5 m-80 -89.11 -46.81 8.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 15.0 110.879 179.407 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -115.55 10.02 15.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.416 -0.357 . . . . 15.0 111.944 -173.636 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.516 ' HD3' ' CE2' ' B' ' 117' ' ' TYR . 0.0 OUTLIER 70.64 18.91 6.26 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 121.161 0.505 . . . . 15.0 110.742 176.513 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 69.7 p -97.97 150.28 21.53 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 121.976 -0.453 . . . . 15.0 110.73 -173.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.714 ' HB ' ' HB2' ' B' ' 114' ' ' PRO . 1.6 p -125.28 150.25 47.27 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.192 0.52 . . . . 15.0 112.124 -178.691 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 53.7 m -147.88 148.18 30.55 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.603 -0.726 . . . . 15.0 110.003 -176.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 93.2 m95 -90.69 -35.87 14.67 Favored 'General case' 0 CA--C 1.504 -0.825 0 CA-C-O 121.818 0.818 . . . . 15.0 110.578 177.229 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -88.08 160.9 17.61 Favored 'General case' 0 N--CA 1.431 -1.424 0 CA-C-N 114.411 -1.268 . . . . 15.0 110.888 -170.207 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.636 ' OD1' ' HB3' ' A' ' 43' ' ' ARG . 10.1 t70 -92.21 122.73 64.29 Favored Pre-proline 0 C--N 1.316 -0.863 0 CA-C-N 115.477 -0.783 . . . . 15.0 111.031 -163.665 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.664 ' HG2' HD12 ' A' ' 13' ' ' LEU . 38.5 Cg_endo -67.71 -12.38 35.31 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 123.041 2.494 . . . . 15.0 113.475 -176.494 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.636 ' HB3' ' OD1' ' A' ' 41' ' ' ASP . 0.6 OUTLIER -78.18 -20.19 52.42 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.717 0.77 . . . . 15.0 109.647 176.495 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 90.8 mt -74.83 -9.66 58.76 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 114.948 -1.024 . . . . 15.0 111.169 178.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 62.2 mttm . . . . . 0 C--O 1.251 1.172 0 CA-C-N 114.848 -1.069 . . . . 15.0 110.256 -179.841 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 . . . . . 0 N--CA 1.482 1.144 0 N-CA-C 110.262 -0.273 . . . . 15.0 110.262 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 113' ' ' ILE . . . . . 0.569 HD12 ' HD2' ' B' ' 114' ' ' PRO . 6.8 tp -153.95 120.13 2.82 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-N 116.516 -0.311 . . . . 15.0 110.667 -179.381 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 114' ' ' PRO . . . . . 0.714 ' HB2' ' HB ' ' A' ' 37' ' ' THR . 35.8 Cg_endo -87.8 119.69 1.33 Allowed 'Trans proline' 0 N--CA 1.453 -0.889 0 C-N-CA 122.272 1.982 . . . . 15.0 112.155 173.518 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 115' ' ' PRO . . . . . 0.475 ' HA ' ' HD2' ' B' ' 116' ' ' PRO . 36.9 Cg_exo -64.51 127.8 19.78 Favored 'Trans proline' 0 N--CA 1.475 0.411 0 C-N-CA 123.111 2.541 . . . . 15.0 113.245 174.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 116' ' ' PRO . . . . . 0.475 ' HD2' ' HA ' ' B' ' 115' ' ' PRO . 6.7 Cg_endo -48.94 -179.58 0.01 OUTLIER 'Trans proline' 0 N--CA 1.414 -3.165 0 C-N-CA 124.723 3.616 . . . . 15.0 114.746 169.38 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 117' ' ' TYR . . . . . 0.676 ' HB3' HG21 ' A' ' 30' ' ' ILE . 1.9 p90 -76.96 119.75 21.13 Favored 'General case' 1 C--N 1.239 -4.229 1 CA-C-N 106.221 -4.991 . . . . 15.0 110.408 -177.471 . . . . . . . . 4 3 . 1 . 003 nuclear nobuild full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 11.2 p -100.68 -16.49 7.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 108.159 -1.052 . . . . 15.0 108.159 169.109 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 119' ' ' GLU . . . . . 0.466 ' O ' ' HD1' ' B' ' 117' ' ' TYR . 1.3 mm-40 -95.48 120.08 64.27 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-N 114.177 -1.374 . . . . 15.0 109.09 178.635 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 120' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' B' ' 119' ' ' GLU . 16.9 Cg_exo . . . . . 0 C--O 1.252 1.193 0 C-N-CA 122.298 1.998 . . . . 15.0 111.917 179.187 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 20.8 p90 . . . . . 0 N--CA 1.482 1.149 0 CA-C-O 121.216 0.532 . . . . 15.0 110.561 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.68 HD12 ' HG2' ' A' ' 42' ' ' PRO . 3.2 mm? -120.17 164.0 25.09 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-N 116.131 -0.486 . . . . 15.0 110.771 -177.523 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.685 ' HB2' ' CD1' ' A' ' 17' ' ' TRP . 4.1 Cg_exo -49.38 151.26 7.04 Favored 'Trans proline' 0 CA--C 1.494 -1.494 0 C-N-CA 124.053 3.169 . . . . 15.0 115.211 167.751 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 20.7 pttp -60.32 140.41 57.12 Favored 'General case' 0 C--N 1.288 -2.069 0 CA-C-N 111.626 -2.534 . . . . 15.0 110.422 -173.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 75.57 -8.24 21.13 Favored Glycine 0 C--N 1.318 -0.453 0 CA-C-N 115.524 -0.762 . . . . 15.0 113.094 -176.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.685 ' CD1' ' HB2' ' A' ' 14' ' ' PRO . 62.1 m95 -89.84 112.65 24.05 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 117.476 0.638 . . . . 15.0 109.882 177.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.516 ' O ' ' HA ' ' A' ' 29' ' ' PHE . 41.8 mm-40 -108.83 146.16 34.12 Favored 'General case' 0 C--N 1.312 -1.041 0 CA-C-N 115.452 -0.794 . . . . 15.0 111.916 -175.109 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.514 HG22 ' CD2' ' A' ' 29' ' ' PHE . 16.3 t -113.06 101.72 12.9 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.02 0 CA-C-N 114.356 -1.293 . . . . 15.0 109.521 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.718 ' O ' ' HA ' ' A' ' 27' ' ' PRO . 20.5 tpp180 -116.56 144.9 43.8 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.761 -0.459 . . . . 15.0 109.761 179.132 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.564 ' HD2' ' N ' ' A' ' 27' ' ' PRO . 0.8 OUTLIER -107.82 110.04 21.74 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.673 -1.232 . . . . 15.0 107.673 -178.197 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.95 160.35 8.69 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 116.451 -0.341 . . . . 15.0 110.177 -178.675 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_exo -56.86 -18.4 27.41 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.494 2.129 . . . . 15.0 113.168 -178.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 20.6 p30 -80.45 -13.11 59.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.407 0.623 . . . . 15.0 109.82 177.534 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 88.39 37.62 7.52 Favored Glycine 0 N--CA 1.436 -1.359 0 CA-C-N 115.06 -0.973 . . . . 15.0 112.546 -179.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -120.67 126.59 26.65 Favored Pre-proline 0 C--N 1.321 -0.671 0 N-CA-C 109.3 -0.63 . . . . 15.0 109.3 173.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.718 ' HA ' ' O ' ' A' ' 20' ' ' ARG . 72.6 Cg_endo -89.01 117.53 0.84 Allowed 'Trans proline' 0 N--CA 1.453 -0.885 0 C-N-CA 122.226 1.951 . . . . 15.0 112.391 178.3 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.427 ' HD1' ' H ' ' A' ' 28' ' ' PHE . 0.7 OUTLIER -105.47 122.28 45.67 Favored 'General case' 0 N--CA 1.439 -1.022 0 CA-C-N 113.625 -1.625 . . . . 15.0 108.961 178.769 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.516 ' HA ' ' O ' ' A' ' 18' ' ' GLU . 7.2 m-85 -89.87 114.2 25.93 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.337 -0.616 . . . . 15.0 109.337 -175.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.728 HG21 ' HB3' ' B' ' 117' ' ' TYR . 17.3 mt -99.0 138.17 24.25 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 115.576 -0.738 . . . . 15.0 111.177 -175.301 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -92.31 112.82 24.91 Favored 'General case' 0 C--N 1.309 -1.188 0 CA-C-N 115.311 -0.859 . . . . 15.0 108.823 168.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.681 ' CE1' ' HB2' ' B' ' 117' ' ' TYR . 12.3 m170 -93.94 4.54 53.77 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.417 -0.811 . . . . 15.0 110.613 -175.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 22.0 m-80 -89.81 -63.59 1.26 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.048 0.451 . . . . 15.0 110.31 178.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.419 ' O ' ' HB3' ' A' ' 35' ' ' LYS . 11.0 m -106.57 -3.53 20.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.862 -0.608 . . . . 15.0 110.974 -174.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.588 ' HD2' ' HB3' ' B' ' 116' ' ' PRO . 4.9 tppp? 70.34 85.93 0.13 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.713 -0.676 . . . . 15.0 111.222 -179.074 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.8 p -143.68 150.04 38.12 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.558 -0.746 . . . . 15.0 109.059 172.145 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.981 ' HB ' ' HB2' ' B' ' 114' ' ' PRO . 33.2 p -127.88 137.48 52.34 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.097 0.475 . . . . 15.0 112.12 -175.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.514 ' OG1' ' HG3' ' A' ' 40' ' ' GLU . 9.7 t -150.14 150.08 31.15 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.85 -0.614 . . . . 15.0 109.79 178.715 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 67.0 m95 -90.31 -10.68 43.22 Favored 'General case' 0 CA--C 1.513 -0.451 0 CA-C-O 121.086 0.469 . . . . 15.0 109.899 178.073 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.514 ' HG3' ' OG1' ' A' ' 38' ' ' THR . 0.8 OUTLIER -104.53 157.4 17.19 Favored 'General case' 0 N--CA 1.441 -0.875 0 CA-C-N 115.543 -0.753 . . . . 15.0 110.407 -174.116 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -92.79 135.68 25.88 Favored Pre-proline 0 C--N 1.319 -0.76 0 N-CA-C 113.101 0.778 . . . . 15.0 113.101 -164.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.68 ' HG2' HD12 ' A' ' 13' ' ' LEU . 58.7 Cg_endo -73.22 -9.91 23.72 Favored 'Trans proline' 0 CA--C 1.531 0.367 0 C-N-CA 123.294 2.663 . . . . 15.0 112.817 176.54 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 16.1 tpp180 -76.71 -32.09 57.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.078 0.466 . . . . 15.0 110.75 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.447 ' HA ' HD23 ' A' ' 44' ' ' LEU . 9.6 mt -80.14 -9.41 59.71 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.923 -0.58 . . . . 15.0 112.167 -179.645 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.691 ' HE2' ' HA ' ' A' ' 45' ' ' LYS . 9.8 mmpt? . . . . . 0 C--O 1.25 1.084 0 CA-C-N 115.463 -0.789 . . . . 15.0 110.229 -179.702 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 27.2 mp0 . . . . . 0 N--CA 1.482 1.134 0 CA-C-O 120.616 0.246 . . . . 15.0 110.397 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 50.8 mm -98.97 110.99 59.71 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 116.121 -0.49 . . . . 15.0 110.566 -177.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 114' ' ' PRO . . . . . 0.981 ' HB2' ' HB ' ' A' ' 37' ' ' THR . 12.1 Cg_exo -68.05 128.04 17.0 Favored 'Trans proline' 0 CA--C 1.531 0.37 0 C-N-CA 122.569 2.18 . . . . 15.0 112.142 177.644 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 115' ' ' PRO . . . . . 0.458 ' HA ' ' HD2' ' B' ' 116' ' ' PRO . 31.7 Cg_exo -60.59 126.67 20.47 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.642 2.228 . . . . 15.0 112.747 173.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 116' ' ' PRO . . . . . 0.588 ' HB3' ' HD2' ' A' ' 35' ' ' LYS . 7.3 Cg_endo -49.21 -179.49 0.01 OUTLIER 'Trans proline' 0 N--CA 1.414 -3.151 0 C-N-CA 125.121 3.88 . . . . 15.0 114.919 169.033 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 117' ' ' TYR . . . . . 0.728 ' HB3' HG21 ' A' ' 30' ' ' ILE . 2.0 p90 -81.99 128.49 34.13 Favored 'General case' 0 C--N 1.244 -3.996 1 CA-C-N 105.993 -5.094 . . . . 15.0 110.12 -178.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 19.8 m -109.79 -12.06 11.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 121.532 0.682 . . . . 15.0 109.255 175.324 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -101.45 106.05 43.66 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 114.962 -1.017 . . . . 15.0 109.255 176.159 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 120' ' ' PRO . . . . . 0.415 ' HA ' ' CE1' ' B' ' 117' ' ' TYR . 23.6 Cg_exo . . . . . 0 C--O 1.251 1.166 0 C-N-CA 122.704 2.269 . . . . 15.0 112.226 -177.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 28.0 t80 . . . . . 0 N--CA 1.478 0.926 0 N-CA-C 109.391 -0.596 . . . . 15.0 109.391 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.495 ' HB2' ' HG2' ' A' ' 42' ' ' PRO . 4.4 pp -72.59 154.62 91.48 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 120.582 0.229 . . . . 15.0 110.588 -179.752 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.803 ' HB2' ' CD1' ' A' ' 17' ' ' TRP . 30.5 Cg_exo -49.72 151.23 8.08 Favored 'Trans proline' 0 CA--C 1.497 -1.329 0 C-N-CA 124.819 3.679 . . . . 15.0 116.748 -178.746 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.2 mtpm? -71.15 135.92 47.86 Favored 'General case' 0 C--N 1.293 -1.876 0 CA-C-N 111.061 -2.791 . . . . 15.0 110.562 -177.182 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 83.28 2.91 90.32 Favored Glycine 0 C--N 1.319 -0.397 0 CA-C-N 115.613 -0.721 . . . . 15.0 111.545 -177.114 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.803 ' CD1' ' HB2' ' A' ' 14' ' ' PRO . 26.5 m95 -93.58 111.32 22.97 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.51 0.672 . . . . 15.0 109.966 176.111 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.666 ' O ' ' HA ' ' A' ' 29' ' ' PHE . 4.9 mt-10 -99.76 150.17 22.6 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.128 -0.942 . . . . 15.0 111.482 -175.791 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.523 HG22 ' CD2' ' A' ' 29' ' ' PHE . 15.8 t -118.38 89.92 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.347 0 CA-C-N 114.622 -1.172 . . . . 15.0 109.113 175.38 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.632 ' O ' ' HA ' ' A' ' 27' ' ' PRO . 18.6 ttm180 -102.32 135.59 43.65 Favored 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 120.643 -0.423 . . . . 15.0 110.142 -178.766 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.615 ' HD2' ' N ' ' A' ' 27' ' ' PRO . 0.1 OUTLIER -91.46 110.44 21.75 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 108.107 -1.072 . . . . 15.0 108.107 175.957 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.19 164.81 12.53 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-N 116.446 -0.343 . . . . 15.0 110.499 -179.501 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_exo -60.3 -16.34 40.39 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.558 2.172 . . . . 15.0 113.145 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 26.4 p30 -80.27 -14.29 58.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.294 0.569 . . . . 15.0 109.834 175.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.91 37.89 5.92 Favored Glycine 0 N--CA 1.44 -1.063 0 CA-C-N 115.066 -0.97 . . . . 15.0 113.098 178.147 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.454 ' C ' ' HD2' ' A' ' 21' ' ' HIS . 23.2 mmt180 -127.21 138.38 32.63 Favored Pre-proline 0 C--N 1.326 -0.419 0 O-C-N 122.815 -0.227 . . . . 15.0 110.574 177.535 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.632 ' HA ' ' O ' ' A' ' 20' ' ' ARG . 94.3 Cg_endo -88.18 113.41 0.78 Allowed 'Trans proline' 0 C--N 1.343 0.252 0 C-N-CA 122.26 1.973 . . . . 15.0 112.475 175.54 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.459 ' HD1' ' H ' ' A' ' 28' ' ' PHE . 0.3 OUTLIER -105.01 126.7 52.35 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 114.378 -1.283 . . . . 15.0 108.703 174.935 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.666 ' HA ' ' O ' ' A' ' 18' ' ' GLU . 6.9 m-85 -89.94 114.38 26.18 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.654 -0.703 . . . . 15.0 109.434 -174.05 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.841 HG21 ' HB3' ' B' ' 117' ' ' TYR . 21.2 mt -96.65 127.77 48.48 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.876 0 CA-C-N 115.279 -0.873 . . . . 15.0 110.763 -177.057 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.456 ' HB3' ' O ' ' A' ' 36' ' ' THR . 1.8 t70 -90.97 104.64 17.2 Favored 'General case' 0 C--N 1.302 -1.494 0 CA-C-N 114.928 -1.033 . . . . 15.0 108.639 172.054 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.475 ' CE1' ' HB2' ' B' ' 117' ' ' TYR . 11.4 m170 -84.64 0.61 49.61 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.271 -0.877 . . . . 15.0 110.545 -174.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 28.2 m-80 -87.21 -69.9 0.65 Allowed 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 121.079 0.466 . . . . 15.0 110.041 177.394 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -83.64 -3.75 57.99 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.899 -0.591 . . . . 15.0 110.085 -178.436 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.52 ' HD2' ' CE1' ' B' ' 117' ' ' TYR . 70.1 mmtt 70.84 29.83 3.02 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 115.267 -0.879 . . . . 15.0 110.555 175.626 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.456 ' O ' ' HB3' ' A' ' 31' ' ' ASP . 61.4 p -106.76 150.2 26.55 Favored 'General case' 0 C--O 1.219 -0.517 0 CA-C-N 115.867 -0.606 . . . . 15.0 110.694 -176.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.635 ' HB ' ' HB2' ' B' ' 114' ' ' PRO . 2.5 p -121.48 141.09 51.36 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 121.905 -0.497 . . . . 15.0 112.161 -177.414 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.486 ' OG1' ' HG3' ' A' ' 40' ' ' GLU . 12.7 t -150.09 150.35 31.57 Favored 'General case' 0 C--O 1.224 -0.252 0 CA-C-N 116.253 -0.43 . . . . 15.0 110.364 178.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 52.4 m95 -89.84 -7.88 53.3 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.963 0.411 . . . . 15.0 110.952 -178.533 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.486 ' HG3' ' OG1' ' A' ' 38' ' ' THR . 0.9 OUTLIER -94.26 162.42 13.86 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 116.098 -0.501 . . . . 15.0 110.804 -172.529 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.759 ' HB3' ' HG2' ' A' ' 43' ' ' ARG . 2.1 m-20 -93.62 118.04 67.41 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 115.806 -0.634 . . . . 15.0 111.741 -170.308 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.495 ' HG2' ' HB2' ' A' ' 13' ' ' LEU . 56.4 Cg_endo -69.19 -9.62 26.81 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.639 2.226 . . . . 15.0 111.668 175.156 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.759 ' HG2' ' HB3' ' A' ' 41' ' ' ASP . 8.0 ptp85 -71.53 -26.82 62.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.047 -0.524 . . . . 15.0 110.884 177.102 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 84.6 mt -80.36 -9.73 59.75 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-O 121.564 0.697 . . . . 15.0 111.128 179.085 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.455 ' HD3' ' OE1' ' A' ' 40' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.094 0 CA-C-N 114.986 -1.006 . . . . 15.0 110.724 -173.461 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 . . . . . 0 N--CA 1.479 0.985 0 CA-C-O 120.799 0.333 . . . . 15.0 110.319 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 113' ' ' ILE . . . . . 0.549 HD12 ' HD2' ' B' ' 114' ' ' PRO . 5.9 tp -151.47 113.77 3.03 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 116.231 -0.44 . . . . 15.0 110.535 -179.628 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 114' ' ' PRO . . . . . 0.635 ' HB2' ' HB ' ' A' ' 37' ' ' THR . 43.1 Cg_endo -84.35 120.14 2.47 Favored 'Trans proline' 0 N--CA 1.457 -0.661 0 C-N-CA 122.648 2.232 . . . . 15.0 112.71 178.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 115' ' ' PRO . . . . . 0.416 ' HA ' ' HD2' ' B' ' 116' ' ' PRO . 50.7 Cg_exo -58.22 130.95 40.35 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 123.13 2.553 . . . . 15.0 113.262 175.806 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 116' ' ' PRO . . . . . 0.416 ' HD2' ' HA ' ' B' ' 115' ' ' PRO . 7.1 Cg_endo -49.15 -179.4 0.01 OUTLIER 'Trans proline' 0 N--CA 1.414 -3.166 0 C-N-CA 124.968 3.779 . . . . 15.0 115.038 167.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 117' ' ' TYR . . . . . 0.841 ' HB3' HG21 ' A' ' 30' ' ' ILE . 23.3 p90 -76.92 141.38 40.53 Favored 'General case' 1 C--N 1.241 -4.142 1 CA-C-N 105.733 -5.212 . . . . 15.0 110.883 -179.34 . . . . . . . . 4 3 . 1 . 005 nuclear nobuild full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 11.2 p -100.53 -23.95 4.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 108.621 -0.881 . . . . 15.0 108.621 172.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 119' ' ' GLU . . . . . 0.439 ' O ' ' HD2' ' B' ' 117' ' ' TYR . 7.9 mm-40 -96.27 119.03 65.07 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 114.574 -1.194 . . . . 15.0 109.133 177.16 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 120' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_endo . . . . . 0 C--O 1.248 1.017 0 C-N-CA 122.843 2.362 . . . . 15.0 112.519 -177.193 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.585 ' HE1' HH11 ' A' ' 43' ' ' ARG . 8.6 p90 . . . . . 0 N--CA 1.482 1.169 0 N-CA-C 112.004 0.372 . . . . 15.0 112.004 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.0 pp -105.16 147.16 34.07 Favored Pre-proline 0 C--N 1.326 -0.455 0 N-CA-C 109.852 -0.425 . . . . 15.0 109.852 176.254 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.679 ' HB2' ' CD1' ' A' ' 17' ' ' TRP . 22.9 Cg_exo -49.63 151.0 8.06 Favored 'Trans proline' 0 CA--C 1.497 -1.331 0 C-N-CA 124.663 3.575 . . . . 15.0 116.935 -177.001 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 28.4 ttpp -73.78 131.12 41.23 Favored 'General case' 0 C--N 1.294 -1.82 0 CA-C-N 110.955 -2.838 . . . . 15.0 110.148 -175.35 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.59 24.31 56.48 Favored Glycine 0 N--CA 1.447 -0.57 0 N-CA-C 111.052 -0.819 . . . . 15.0 111.052 -174.425 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.679 ' CD1' ' HB2' ' A' ' 14' ' ' PRO . 24.0 m95 -115.46 121.15 41.87 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.759 -0.46 . . . . 15.0 109.759 174.67 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.59 ' HB2' ' CE1' ' A' ' 32' ' ' HIS . 1.5 tm-20 -120.41 133.78 55.37 Favored 'General case' 0 CA--C 1.503 -0.847 0 CA-C-O 121.862 0.839 . . . . 15.0 109.974 -173.667 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.463 HG22 ' CD2' ' A' ' 29' ' ' PHE . 10.7 t -108.23 89.98 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.294 -1.839 0 CA-C-N 113.677 -1.601 . . . . 15.0 110.267 -173.739 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.803 ' O ' ' HA ' ' A' ' 27' ' ' PRO . 5.8 tpp180 -98.21 150.11 21.85 Favored 'General case' 0 C--O 1.213 -0.84 0 CA-C-N 115.909 -0.587 . . . . 15.0 109.805 -177.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.631 ' HD2' ' N ' ' A' ' 27' ' ' PRO . 0.8 OUTLIER -114.54 110.92 20.56 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 108.777 -0.823 . . . . 15.0 108.777 -177.049 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.57 ' HB1' ' HD2' ' A' ' 23' ' ' PRO . . . -60.06 163.75 7.42 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 115.936 -0.575 . . . . 15.0 110.616 -178.283 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.57 ' HD2' ' HB1' ' A' ' 22' ' ' ALA . 22.4 Cg_endo -61.52 -18.95 62.63 Favored 'Trans proline' 0 C--N 1.35 0.615 0 C-N-CA 122.503 2.135 . . . . 15.0 113.203 -178.26 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 23.4 p30 -80.33 -10.05 59.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.545 0.688 . . . . 15.0 109.418 175.263 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 83.79 44.2 6.9 Favored Glycine 0 N--CA 1.435 -1.385 0 CA-C-N 114.712 -1.131 . . . . 15.0 112.39 -178.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 24.1 mmm180 -120.64 131.0 24.59 Favored Pre-proline 0 C--N 1.324 -0.517 0 N-CA-C 110.148 -0.316 . . . . 15.0 110.148 172.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.803 ' HA ' ' O ' ' A' ' 20' ' ' ARG . 97.3 Cg_endo -88.3 116.6 0.95 Allowed 'Trans proline' 0 N--CA 1.455 -0.769 0 C-N-CA 121.965 1.777 . . . . 15.0 112.293 176.107 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -103.62 119.62 39.27 Favored 'General case' 0 N--CA 1.437 -1.098 0 CA-C-N 113.478 -1.692 . . . . 15.0 108.936 177.178 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.463 ' CD2' HG22 ' A' ' 19' ' ' VAL . 5.5 m-85 -89.76 121.65 32.11 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.815 -0.63 . . . . 15.0 109.461 -174.379 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.892 ' HB ' ' CE1' ' A' ' 32' ' ' HIS . 16.4 mt -100.61 134.54 40.13 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.054 0 CA-C-N 115.239 -0.891 . . . . 15.0 111.124 -175.235 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.423 ' O ' ' HA ' ' A' ' 35' ' ' LYS . 8.6 t70 -93.61 118.76 31.78 Favored 'General case' 0 C--N 1.312 -1.05 0 N-CA-C 108.078 -1.082 . . . . 15.0 108.078 169.541 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.892 ' CE1' ' HB ' ' A' ' 30' ' ' ILE . 5.4 m80 -97.74 4.05 49.99 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.177 0.513 . . . . 15.0 110.106 -171.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 31.3 m-80 -89.83 -55.06 3.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.432 -0.804 . . . . 15.0 109.919 178.562 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.0 t -108.92 1.71 20.93 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.732 -0.667 . . . . 15.0 110.407 -179.315 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.946 ' HG3' ' HE1' ' B' ' 117' ' ' TYR . 3.6 mppt? 62.56 50.31 3.62 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 115.57 -0.741 . . . . 15.0 111.49 175.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 35.2 p -118.23 129.84 55.72 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.138 -0.483 . . . . 15.0 110.41 177.196 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.921 ' HB ' ' HG2' ' B' ' 114' ' ' PRO . 1.9 p -105.55 140.52 38.51 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.317 -0.401 . . . . 15.0 111.764 -176.437 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 4.4 t -150.01 142.89 24.79 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 109.262 -0.644 . . . . 15.0 109.262 178.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 24.6 m95 -83.15 -30.05 28.15 Favored 'General case' 0 CA--C 1.507 -0.675 0 CA-C-O 121.945 0.878 . . . . 15.0 110.097 -177.333 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.484 ' CD ' ' H ' ' A' ' 40' ' ' GLU . 2.3 pm0 -80.77 124.07 28.75 Favored 'General case' 0 C--N 1.308 -1.23 0 CA-C-N 114.06 -1.427 . . . . 15.0 110.33 -175.163 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -50.6 134.83 26.19 Favored Pre-proline 0 C--N 1.319 -0.72 0 CA-C-N 114.066 -1.424 . . . . 15.0 112.285 -173.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -65.04 -9.92 23.53 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.835 2.356 . . . . 15.0 111.193 172.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.585 HH11 ' HE1' ' A' ' 12' ' ' PHE . 17.9 mtm180 -77.53 -12.76 60.0 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 114.979 -1.01 . . . . 15.0 110.529 179.223 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 85.7 mt -79.82 -9.93 59.72 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 114.861 -1.063 . . . . 15.0 110.677 177.105 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.7 mmmp? . . . . . 0 C--N 1.313 -1.005 0 CA-C-N 114.811 -1.086 . . . . 15.0 111.027 -176.858 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 . . . . . 0 N--CA 1.475 0.778 0 CA-C-O 120.611 0.243 . . . . 15.0 110.5 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 113' ' ' ILE . . . . . 0.432 ' N ' HD13 ' B' ' 113' ' ' ILE . 0.2 OUTLIER -138.32 119.03 10.11 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.375 -0.375 . . . . 15.0 110.775 178.304 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 114' ' ' PRO . . . . . 0.921 ' HG2' ' HB ' ' A' ' 37' ' ' THR . 27.3 Cg_endo -80.7 138.8 12.11 Favored 'Trans proline' 0 N--CA 1.458 -0.617 0 C-N-CA 122.384 2.056 . . . . 15.0 112.516 178.23 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 115' ' ' PRO . . . . . 0.477 ' HA ' ' HD2' ' B' ' 116' ' ' PRO . 73.1 Cg_exo -49.3 127.62 18.25 Favored 'Trans proline' 0 N--CA 1.475 0.414 0 C-N-CA 123.794 2.996 . . . . 15.0 114.539 175.043 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 116' ' ' PRO . . . . . 0.477 ' HD2' ' HA ' ' B' ' 115' ' ' PRO . 4.7 Cg_endo -49.21 -179.61 0.01 OUTLIER 'Trans proline' 0 N--CA 1.414 -3.194 0 C-N-CA 124.919 3.746 . . . . 15.0 114.401 163.639 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 117' ' ' TYR . . . . . 0.946 ' HE1' ' HG3' ' A' ' 35' ' ' LYS . 41.9 p90 -78.34 132.36 37.39 Favored 'General case' 1 C--N 1.243 -4.055 1 CA-C-N 106.197 -5.001 . . . . 15.0 111.071 -175.801 . . . . . . . . 4 3 . 1 . 006 nuclear nobuild full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 25.9 t -89.55 -15.78 8.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.566 0.698 . . . . 15.0 109.576 175.229 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 119' ' ' GLU . . . . . 0.476 ' HA ' ' HD3' ' B' ' 120' ' ' PRO . 11.8 pt-20 -140.85 124.05 9.99 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 115.335 -0.848 . . . . 15.0 110.858 -179.366 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 120' ' ' PRO . . . . . 0.476 ' HD3' ' HA ' ' B' ' 119' ' ' GLU . 6.7 Cg_exo . . . . . 0 C--O 1.25 1.081 0 C-N-CA 123.175 2.583 . . . . 15.0 111.386 175.035 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 44.1 p90 . . . . . 0 N--CA 1.484 1.233 0 CA-C-O 120.853 0.359 . . . . 15.0 111.012 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.3 pp -109.98 158.87 33.81 Favored Pre-proline 0 C--N 1.326 -0.438 0 N-CA-C 109.393 -0.595 . . . . 15.0 109.393 177.735 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.625 ' HB2' ' CD1' ' A' ' 17' ' ' TRP . 39.5 Cg_exo -49.71 150.94 8.39 Favored 'Trans proline' 0 CA--C 1.495 -1.47 0 C-N-CA 124.081 3.187 . . . . 15.0 116.142 -176.565 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -72.77 140.37 47.69 Favored 'General case' 0 C--N 1.288 -2.068 0 CA-C-N 111.142 -2.753 . . . . 15.0 109.706 -174.396 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.25 -5.4 67.51 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 121.055 -0.593 . . . . 15.0 111.81 -177.007 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.625 ' CD1' ' HB2' ' A' ' 14' ' ' PRO . 35.9 m95 -90.03 110.24 21.23 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.229 -0.656 . . . . 15.0 109.229 175.559 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.631 ' O ' ' HA ' ' A' ' 29' ' ' PHE . 18.5 mm-40 -108.19 145.01 34.83 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-O 122.009 0.909 . . . . 15.0 112.545 -172.507 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.509 HG22 ' CD2' ' A' ' 29' ' ' PHE . 11.5 t -115.33 105.3 18.29 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.18 0 CA-C-N 113.568 -1.651 . . . . 15.0 109.585 179.609 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.746 ' O ' ' HA ' ' A' ' 27' ' ' PRO . 15.6 ttm180 -127.69 150.06 49.94 Favored 'General case' 0 C--N 1.319 -0.747 0 C-N-CA 120.698 -0.401 . . . . 15.0 110.093 179.048 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.66 ' HD2' ' N ' ' A' ' 27' ' ' PRO . 0.3 OUTLIER -95.38 118.17 31.64 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 109.738 -0.467 . . . . 15.0 109.738 -179.806 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.39 161.9 65.86 Favored Pre-proline 0 C--N 1.32 -0.713 0 N-CA-C 109.304 -0.628 . . . . 15.0 109.304 172.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_exo -58.14 -14.91 20.98 Favored 'Trans proline' 0 C--N 1.348 0.538 0 C-N-CA 122.876 2.384 . . . . 15.0 113.914 -175.298 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 30.7 p-10 -80.42 -13.23 59.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.284 0.564 . . . . 15.0 109.71 178.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 96.8 28.52 8.76 Favored Glycine 0 N--CA 1.439 -1.104 0 CA-C-N 115.471 -0.786 . . . . 15.0 112.885 179.208 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.498 ' C ' ' HD2' ' A' ' 21' ' ' HIS . 6.0 mmp_? -123.38 141.32 35.88 Favored Pre-proline 0 C--O 1.221 -0.44 0 CA-C-O 120.735 0.302 . . . . 15.0 111.253 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.746 ' HA ' ' O ' ' A' ' 20' ' ' ARG . 85.9 Cg_endo -88.06 113.78 0.83 Allowed 'Trans proline' 0 N--CA 1.459 -0.521 0 C-N-CA 122.506 2.137 . . . . 15.0 112.204 174.535 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.564 ' HD1' ' H ' ' A' ' 28' ' ' PHE . 0.3 OUTLIER -99.78 124.95 45.58 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-N 113.772 -1.558 . . . . 15.0 108.38 175.181 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.631 ' HA ' ' O ' ' A' ' 18' ' ' GLU . 12.1 m-85 -89.72 113.0 24.44 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-O 121.46 0.647 . . . . 15.0 109.4 -175.136 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.778 HG21 ' HB3' ' B' ' 117' ' ' TYR . 21.4 mt -96.26 131.59 42.66 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.973 0 CA-C-N 115.024 -0.989 . . . . 15.0 110.556 -177.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -90.41 105.56 17.9 Favored 'General case' 0 C--N 1.302 -1.48 0 CA-C-N 115.134 -0.939 . . . . 15.0 108.769 172.366 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.481 ' NE2' ' HB ' ' A' ' 30' ' ' ILE . 11.0 m170 -87.77 2.12 52.09 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.403 -0.817 . . . . 15.0 110.094 -176.45 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 25.4 m-80 -89.27 -66.17 0.95 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.653 -0.703 . . . . 15.0 110.316 179.014 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.98 -1.81 31.05 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.716 -0.675 . . . . 15.0 111.002 -174.01 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.703 ' HG3' ' HE1' ' B' ' 117' ' ' TYR . 0.0 OUTLIER 66.5 85.61 0.14 Allowed 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.521 -0.763 . . . . 15.0 110.573 -177.242 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -146.13 150.32 35.68 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 114.873 -1.058 . . . . 15.0 108.688 -178.398 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 1.008 ' HB ' ' HB2' ' B' ' 114' ' ' PRO . 20.1 p -132.38 131.49 41.9 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-O 121.111 0.482 . . . . 15.0 112.045 -178.534 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.414 ' OG1' ' HG3' ' A' ' 40' ' ' GLU . 11.3 t -150.17 150.29 31.42 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.79 -0.641 . . . . 15.0 109.926 -179.081 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 70.4 m95 -89.04 -11.37 44.33 Favored 'General case' 0 CA--C 1.512 -0.482 0 C-N-CA 120.912 -0.315 . . . . 15.0 110.617 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.414 ' HG3' ' OG1' ' A' ' 38' ' ' THR . 0.9 OUTLIER -101.84 158.12 16.35 Favored 'General case' 0 N--CA 1.442 -0.871 0 CA-C-O 121.393 0.616 . . . . 15.0 111.812 -170.513 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.752 ' HB3' ' HG2' ' A' ' 43' ' ' ARG . 2.3 m-20 -84.74 127.58 64.57 Favored Pre-proline 0 C--N 1.322 -0.621 0 CA-C-N 115.051 -0.977 . . . . 15.0 111.256 -171.261 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.741 ' HA ' ' HE2' ' A' ' 45' ' ' LYS . 23.4 Cg_endo -62.25 -9.75 16.14 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.872 2.381 . . . . 15.0 112.695 176.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.752 ' HG2' ' HB3' ' A' ' 41' ' ' ASP . 19.8 ptt180 -78.24 -19.4 53.83 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.842 0.353 . . . . 15.0 110.48 176.474 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 83.0 mt -80.47 -9.54 59.76 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-O 121.575 0.702 . . . . 15.0 111.044 178.592 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.741 ' HE2' ' HA ' ' A' ' 42' ' ' PRO . 41.4 pttt . . . . . 0 C--N 1.31 -1.134 0 CA-C-N 114.886 -1.052 . . . . 15.0 110.781 -176.377 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 . . . . . 0 N--CA 1.477 0.921 0 CA-C-O 121.138 0.494 . . . . 15.0 110.291 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 77.3 mt -133.31 114.78 13.67 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-N 115.77 -0.65 . . . . 15.0 109.945 -178.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 114' ' ' PRO . . . . . 1.008 ' HB2' ' HB ' ' A' ' 37' ' ' THR . 23.7 Cg_exo -63.32 127.28 19.64 Favored 'Trans proline' 0 CA--C 1.531 0.362 0 C-N-CA 122.51 2.14 . . . . 15.0 112.205 177.337 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 115' ' ' PRO . . . . . 0.427 ' HA ' ' HD2' ' B' ' 116' ' ' PRO . 38.9 Cg_exo -60.57 130.81 35.03 Favored 'Trans proline' 0 CA--C 1.531 0.353 0 C-N-CA 122.975 2.45 . . . . 15.0 112.986 172.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 116' ' ' PRO . . . . . 0.427 ' HD2' ' HA ' ' B' ' 115' ' ' PRO . 7.3 Cg_endo -49.38 -179.26 0.01 OUTLIER 'Trans proline' 0 N--CA 1.416 -3.078 0 C-N-CA 124.963 3.775 . . . . 15.0 115.384 167.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 117' ' ' TYR . . . . . 0.778 ' HB3' HG21 ' A' ' 30' ' ' ILE . 41.1 p90 -74.5 127.41 32.99 Favored 'General case' 1 C--N 1.244 -4.006 1 CA-C-N 105.856 -5.156 . . . . 15.0 110.067 -179.453 . . . . . . . . 4 3 . 1 . 007 nuclear nobuild full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 28.6 m -89.47 -0.49 8.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.223 0.535 . . . . 15.0 109.776 173.684 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 119' ' ' GLU . . . . . 0.441 ' CD ' HH22 ' A' ' 20' ' ' ARG . 11.8 pt-20 -157.65 132.27 5.29 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 115.151 -0.931 . . . . 15.0 109.717 -179.236 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 120' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_endo . . . . . 0 C--O 1.25 1.122 0 C-N-CA 123.041 2.494 . . . . 15.0 112.794 -177.761 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 19.0 p90 . . . . . 0 N--CA 1.479 0.991 0 CA-C-O 121.296 0.57 . . . . 15.0 111.011 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.1 mp -120.16 140.52 30.1 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 116.116 -0.493 . . . . 15.0 110.318 174.505 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.735 ' HB2' ' CD1' ' A' ' 17' ' ' TRP . 8.8 Cg_exo -49.93 151.11 8.86 Favored 'Trans proline' 0 CA--C 1.495 -1.473 0 C-N-CA 123.608 2.872 . . . . 15.0 114.638 168.354 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.479 ' H ' ' HD3' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -60.73 119.8 8.85 Favored 'General case' 0 C--N 1.287 -2.126 0 CA-C-N 111.522 -2.581 . . . . 15.0 110.793 -172.507 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 86.45 5.26 82.45 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 121.155 -0.545 . . . . 15.0 112.746 178.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.735 ' CD1' ' HB2' ' A' ' 14' ' ' PRO . 31.9 m95 -92.33 124.37 36.34 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.091 0.472 . . . . 15.0 110.365 176.209 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.55 ' O ' ' HA ' ' A' ' 29' ' ' PHE . 36.7 mm-40 -124.92 149.96 47.06 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.642 -0.708 . . . . 15.0 112.169 -174.147 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.576 HG22 ' CD2' ' A' ' 29' ' ' PHE . 11.7 t -118.31 107.39 21.72 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.866 0 CA-C-N 115.329 -0.851 . . . . 15.0 110.234 178.438 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.654 ' O ' ' HA ' ' A' ' 27' ' ' PRO . 24.2 ttm180 -117.89 140.44 49.7 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.605 -0.517 . . . . 15.0 109.605 177.517 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.646 ' HD2' ' N ' ' A' ' 27' ' ' PRO . 0.1 OUTLIER -93.07 112.02 23.84 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.434 -0.951 . . . . 15.0 108.434 176.77 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.546 ' HB1' ' HD2' ' A' ' 23' ' ' PRO . . . -65.22 161.8 45.98 Favored Pre-proline 0 C--N 1.322 -0.591 0 N-CA-C 109.989 -0.375 . . . . 15.0 109.989 178.33 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.546 ' HD2' ' HB1' ' A' ' 22' ' ' ALA . 11.7 Cg_endo -56.63 -18.97 28.18 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.744 2.296 . . . . 15.0 113.465 -177.432 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 30.4 p-10 -80.33 -11.36 59.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.329 0.585 . . . . 15.0 109.598 179.555 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 94.22 27.33 12.25 Favored Glycine 0 N--CA 1.438 -1.168 0 CA-C-N 115.084 -0.962 . . . . 15.0 112.9 177.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.465 ' C ' ' HD2' ' A' ' 21' ' ' HIS . 24.2 mmm180 -117.77 136.19 23.6 Favored Pre-proline 0 C--N 1.326 -0.456 0 CA-C-O 120.609 0.242 . . . . 15.0 110.832 177.655 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.654 ' HA ' ' O ' ' A' ' 20' ' ' ARG . 95.0 Cg_endo -88.39 114.63 0.81 Allowed 'Trans proline' 0 N--CA 1.457 -0.646 0 C-N-CA 122.346 2.031 . . . . 15.0 111.845 174.74 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.616 ' HB2' ' HB3' ' B' ' 114' ' ' PRO . 0.4 OUTLIER -104.03 124.26 48.7 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 113.931 -1.486 . . . . 15.0 108.904 177.859 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.576 ' CD2' HG22 ' A' ' 19' ' ' VAL . 5.8 m-85 -89.78 113.84 25.45 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.644 -0.707 . . . . 15.0 109.298 -174.447 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.638 HG21 ' HB3' ' B' ' 117' ' ' TYR . 26.1 mt -95.02 131.15 42.62 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.911 0 CA-C-N 115.163 -0.926 . . . . 15.0 110.801 -176.289 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -92.67 105.74 17.84 Favored 'General case' 0 C--N 1.307 -1.243 0 CA-C-N 114.903 -1.044 . . . . 15.0 108.379 168.61 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.534 ' CE1' ' HB2' ' B' ' 117' ' ' TYR . 11.6 m170 -82.92 -0.92 50.72 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 114.921 -1.036 . . . . 15.0 110.85 -172.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 13.6 m-80 -90.2 -49.94 6.27 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.949 0.404 . . . . 15.0 110.944 -179.709 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -106.24 4.82 29.25 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.336 -0.393 . . . . 15.0 110.848 -175.594 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.788 ' HG3' ' HE1' ' B' ' 117' ' ' TYR . 0.0 OUTLIER 66.35 24.62 10.52 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 115.798 -0.637 . . . . 15.0 111.214 178.808 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 71.0 p -99.3 150.06 22.5 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.472 -0.331 . . . . 15.0 110.144 -175.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 1.042 ' HB ' ' HB2' ' B' ' 114' ' ' PRO . 1.8 p -132.48 143.72 49.96 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.956 0.407 . . . . 15.0 111.869 -176.011 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -150.15 150.33 31.49 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 115.889 -0.596 . . . . 15.0 109.921 -176.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 97.2 m95 -88.93 -20.7 24.18 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-O 121.154 0.502 . . . . 15.0 111.947 -172.433 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.512 ' CD ' ' H ' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -117.41 132.77 56.51 Favored 'General case' 0 C--N 1.309 -1.19 0 CA-C-N 115.718 -0.674 . . . . 15.0 111.908 -165.612 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -39.13 135.4 1.06 Allowed Pre-proline 0 N--CA 1.467 0.416 0 CA-C-N 114.254 -1.339 . . . . 15.0 113.434 -170.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.608 ' HA ' ' HE2' ' A' ' 45' ' ' LYS . 35.0 Cg_endo -65.84 -9.87 24.64 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.725 2.283 . . . . 15.0 111.12 172.19 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 70.7 mtt85 -72.82 -17.18 61.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.438 -0.801 . . . . 15.0 109.99 177.435 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 92.1 mt -79.84 -9.92 59.72 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.372 -0.831 . . . . 15.0 110.669 178.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.608 ' HE2' ' HA ' ' A' ' 42' ' ' PRO . 3.6 mppt? . . . . . 0 C--N 1.309 -1.182 0 CA-C-N 114.765 -1.107 . . . . 15.0 109.778 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 . . . . . 0 N--CA 1.48 1.06 0 CA-C-O 121.244 0.545 . . . . 15.0 110.894 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 19.1 pt -134.21 113.3 12.34 Favored Pre-proline 0 C--N 1.322 -0.593 0 CA-C-N 115.822 -0.626 . . . . 15.0 110.519 179.349 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 114' ' ' PRO . . . . . 1.042 ' HB2' ' HB ' ' A' ' 37' ' ' THR . 22.8 Cg_exo -63.22 126.79 18.57 Favored 'Trans proline' 0 CA--C 1.529 0.272 0 C-N-CA 122.303 2.002 . . . . 15.0 111.772 177.04 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 115' ' ' PRO . . . . . 0.476 ' HA ' ' HD2' ' B' ' 116' ' ' PRO . 52.8 Cg_exo -56.39 128.65 30.97 Favored 'Trans proline' 0 N--CA 1.472 0.262 0 C-N-CA 122.779 2.319 . . . . 15.0 112.724 174.599 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 116' ' ' PRO . . . . . 0.476 ' HD2' ' HA ' ' B' ' 115' ' ' PRO . 7.0 Cg_endo -49.36 -179.47 0.01 OUTLIER 'Trans proline' 0 N--CA 1.413 -3.253 0 C-N-CA 124.533 3.489 . . . . 15.0 114.854 169.335 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 117' ' ' TYR . . . . . 0.788 ' HE1' ' HG3' ' A' ' 35' ' ' LYS . 12.9 p90 -76.06 143.01 41.61 Favored 'General case' 1 C--N 1.24 -4.156 1 CA-C-N 105.818 -5.173 . . . . 15.0 110.007 -179.089 . . . . . . . . 4 3 . 1 . 008 nuclear nobuild full ' B' B ' 118' ' ' VAL . . . . . 0.516 HG23 HH22 ' A' ' 20' ' ' ARG . 21.2 t -112.5 -13.02 11.52 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.813 0 N-CA-C 108.02 -1.104 . . . . 15.0 108.02 174.386 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -120.41 121.01 29.52 Favored Pre-proline 0 N--CA 1.442 -0.868 0 CA-C-N 114.019 -1.446 . . . . 15.0 109.888 -177.507 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 120' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo . . . . . 0 C--O 1.251 1.146 0 C-N-CA 122.7 2.267 . . . . 15.0 112.381 179.84 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 49.9 p90 . . . . . 0 N--CA 1.481 1.116 0 CA-C-O 120.48 0.181 . . . . 15.0 111.462 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.3 mp -94.83 141.01 22.75 Favored Pre-proline 0 C--O 1.234 0.273 0 CA-C-O 120.862 0.363 . . . . 15.0 111.052 178.504 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.738 ' HB2' ' CD1' ' A' ' 17' ' ' TRP . 8.3 Cg_exo -49.11 150.88 6.62 Favored 'Trans proline' 0 CA--C 1.494 -1.482 0 C-N-CA 124.866 3.711 . . . . 15.0 116.169 174.47 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -68.06 126.84 30.78 Favored 'General case' 0 C--N 1.291 -1.951 0 CA-C-N 111.327 -2.669 . . . . 15.0 110.543 -175.102 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.93 19.79 56.99 Favored Glycine 0 N--CA 1.447 -0.63 0 N-CA-C 111.587 -0.605 . . . . 15.0 111.587 -178.076 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.738 ' CD1' ' HB2' ' A' ' 14' ' ' PRO . 54.1 m95 -112.54 116.72 30.68 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.691 -0.485 . . . . 15.0 109.691 175.021 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.607 ' HB2' ' CE1' ' A' ' 32' ' ' HIS . 1.3 tm-20 -120.2 130.5 54.58 Favored 'General case' 0 CA--C 1.497 -1.085 0 CA-C-O 122.1 0.952 . . . . 15.0 109.53 -174.33 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.549 HG22 ' CD2' ' A' ' 29' ' ' PHE . 16.6 t -105.88 110.37 31.06 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.927 0 CA-C-N 112.958 -1.928 . . . . 15.0 110.213 -175.53 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.783 ' O ' ' HA ' ' A' ' 27' ' ' PRO . 18.3 ttm180 -132.3 146.59 52.09 Favored 'General case' 0 C--N 1.313 -1.001 0 C-N-CA 120.577 -0.449 . . . . 15.0 110.456 -178.514 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.686 ' HD2' ' N ' ' A' ' 27' ' ' PRO . 0.0 OUTLIER -94.68 114.43 26.36 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 108.536 -0.912 . . . . 15.0 108.536 178.621 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.572 ' HB1' ' HD2' ' A' ' 23' ' ' PRO . . . -74.56 166.87 41.38 Favored Pre-proline 0 C--N 1.317 -0.815 0 CA-C-N 116.176 -0.465 . . . . 15.0 110.003 178.663 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.572 ' HD2' ' HB1' ' A' ' 22' ' ' ALA . 12.8 Cg_endo -57.69 -9.9 6.32 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 123.054 2.503 . . . . 15.0 112.817 176.14 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 47.5 t30 -80.0 -12.13 59.73 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 108.907 -0.775 . . . . 15.0 108.907 177.314 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 89.64 8.43 67.74 Favored Glycine 0 N--CA 1.443 -0.871 0 CA-C-N 115.364 -0.835 . . . . 15.0 112.155 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.407 ' C ' ' HD2' ' A' ' 21' ' ' HIS . 9.3 mmm180 -110.74 144.0 29.37 Favored Pre-proline 0 C--N 1.32 -0.68 0 CA-C-N 115.435 -0.382 . . . . 15.0 111.114 -177.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.783 ' HA ' ' O ' ' A' ' 20' ' ' ARG . 93.7 Cg_endo -88.5 116.51 0.9 Allowed 'Trans proline' 0 N--CA 1.454 -0.832 0 C-N-CA 122.52 2.147 . . . . 15.0 111.298 171.361 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.566 ' HD1' ' H ' ' A' ' 28' ' ' PHE . 0.2 OUTLIER -100.32 121.96 42.33 Favored 'General case' 0 C--N 1.311 -1.093 0 CA-C-N 114.133 -1.394 . . . . 15.0 108.496 176.622 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.549 ' CD2' HG22 ' A' ' 19' ' ' VAL . 6.2 m-85 -89.87 113.19 24.75 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 108.614 -0.884 . . . . 15.0 108.614 -176.554 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.987 ' HB ' ' CE1' ' A' ' 32' ' ' HIS . 8.6 mt -94.88 136.89 24.67 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.126 0 CA-C-N 115.136 -0.938 . . . . 15.0 111.472 -172.5 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.467 ' HB3' ' HB ' ' A' ' 36' ' ' THR . 0.9 OUTLIER -93.99 113.33 25.3 Favored 'General case' 0 C--N 1.312 -1.042 0 CA-C-N 114.875 -1.057 . . . . 15.0 109.216 170.691 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.987 ' CE1' ' HB ' ' A' ' 30' ' ' ILE . 13.6 m80 -99.68 0.54 42.11 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.992 -1.004 . . . . 15.0 110.129 -172.203 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 19.1 m-80 -78.04 -35.45 49.71 Favored 'General case' 0 CA--C 1.516 -0.356 0 N-CA-C 109.089 -0.708 . . . . 15.0 109.089 177.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.773 HG22 ' HG3' ' A' ' 35' ' ' LYS . 56.3 m -125.04 -78.13 0.6 Allowed 'General case' 0 N--CA 1.444 -0.762 0 CA-C-N 115.03 -0.986 . . . . 15.0 110.425 177.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.773 ' HG3' HG22 ' A' ' 34' ' ' THR . 0.1 OUTLIER 171.31 29.84 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.451 0.7 . . . . 15.0 110.456 -179.349 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.467 ' HB ' ' HB3' ' A' ' 31' ' ' ASP . 0.9 OUTLIER -90.87 150.63 21.46 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.193 -0.458 . . . . 15.0 109.884 -170.377 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.947 ' HB ' ' HB2' ' B' ' 114' ' ' PRO . 4.3 p -139.37 139.27 37.15 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-O 121.234 0.54 . . . . 15.0 111.991 -177.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.453 ' OG1' ' HG3' ' A' ' 40' ' ' GLU . 9.7 t -150.22 150.23 31.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.485 -0.78 . . . . 15.0 109.998 -179.266 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 65.4 m95 -91.44 -10.15 42.01 Favored 'General case' 0 CA--C 1.516 -0.363 0 C-N-CA 120.746 -0.382 . . . . 15.0 111.104 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.453 ' HG3' ' OG1' ' A' ' 38' ' ' THR . 0.2 OUTLIER -101.99 160.44 14.49 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-O 121.383 0.611 . . . . 15.0 111.869 -170.5 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.858 ' HB3' ' HG2' ' A' ' 43' ' ' ARG . 2.1 m-20 -86.5 127.75 59.59 Favored Pre-proline 0 C--N 1.324 -0.512 0 CA-C-N 115.185 -0.916 . . . . 15.0 111.801 -170.334 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_endo -66.42 -9.98 25.99 Favored 'Trans proline' 0 CA--C 1.53 0.299 0 C-N-CA 122.954 2.436 . . . . 15.0 112.219 176.385 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.858 ' HG2' ' HB3' ' A' ' 41' ' ' ASP . 28.3 ptt85 -78.9 -16.25 57.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.064 -0.516 . . . . 15.0 110.709 177.458 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 85.5 mt -80.23 -9.58 59.73 Favored 'General case' 0 CA--C 1.518 -0.254 0 CA-C-O 121.785 0.802 . . . . 15.0 110.662 178.664 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.541 ' NZ ' ' HB3' ' A' ' 45' ' ' LYS . 0.6 OUTLIER . . . . . 0 C--O 1.251 1.132 0 CA-C-N 114.005 -1.452 . . . . 15.0 109.995 179.145 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 22.8 mp0 . . . . . 0 N--CA 1.482 1.171 0 N-CA-C 109.986 -0.376 . . . . 15.0 109.986 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 113' ' ' ILE . . . . . 0.411 ' N ' HD12 ' B' ' 113' ' ' ILE . 3.3 mp -98.14 114.38 65.08 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.703 -0.226 . . . . 15.0 110.691 -178.549 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 114' ' ' PRO . . . . . 0.947 ' HB2' ' HB ' ' A' ' 37' ' ' THR . 13.9 Cg_exo -68.0 130.1 20.92 Favored 'Trans proline' 0 CA--C 1.534 0.519 0 C-N-CA 122.568 2.179 . . . . 15.0 112.43 176.224 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 115' ' ' PRO . . . . . 0.467 ' HA ' ' HD2' ' B' ' 116' ' ' PRO . 49.4 Cg_exo -60.58 132.77 44.86 Favored 'Trans proline' 0 N--CA 1.476 0.486 0 C-N-CA 123.079 2.519 . . . . 15.0 113.393 172.283 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 116' ' ' PRO . . . . . 0.467 ' HD2' ' HA ' ' B' ' 115' ' ' PRO . 6.4 Cg_endo -49.19 -179.3 0.01 OUTLIER 'Trans proline' 0 N--CA 1.416 -3.061 0 C-N-CA 124.938 3.758 . . . . 15.0 114.681 165.201 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 117' ' ' TYR . . . . . 0.571 ' HB3' HG21 ' A' ' 30' ' ' ILE . 51.6 p90 -82.68 157.72 23.23 Favored 'General case' 1 C--N 1.242 -4.105 1 CA-C-N 106.195 -5.002 . . . . 15.0 110.657 -177.651 . . . . . . . . 4 3 . 1 . 009 nuclear nobuild full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 8.7 p -129.67 -1.96 2.8 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-N 115.805 -0.634 . . . . 15.0 109.725 -177.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -77.46 115.88 53.16 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-N 115.608 -0.723 . . . . 15.0 110.343 -178.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 120' ' ' PRO . . . . . . . . . . . . . 21.5 Cg_exo . . . . . 0 C--O 1.251 1.149 0 C-N-CA 122.923 2.415 . . . . 15.0 111.437 175.501 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 40.0 p90 . . . . . 0 N--CA 1.48 1.064 0 CA-C-O 120.695 0.283 . . . . 15.0 110.983 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.3 mp -95.74 160.14 30.92 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 120.792 0.329 . . . . 15.0 111.541 -178.411 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.684 ' HB2' ' CD1' ' A' ' 17' ' ' TRP . 6.5 Cg_exo -49.49 151.15 7.48 Favored 'Trans proline' 0 CA--C 1.502 -1.115 0 C-N-CA 124.925 3.75 . . . . 15.0 115.988 170.315 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.6 tppp? -60.94 122.22 14.36 Favored 'General case' 0 C--N 1.294 -1.809 0 CA-C-N 111.41 -2.632 . . . . 15.0 110.964 -172.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 88.35 -1.55 84.38 Favored Glycine 0 N--CA 1.451 -0.338 0 CA-C-N 116.035 -0.53 . . . . 15.0 112.334 179.159 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.684 ' CD1' ' HB2' ' A' ' 14' ' ' PRO . 46.5 m95 -89.97 115.79 27.53 Favored 'General case' 0 CA--C 1.511 -0.535 0 CA-C-O 121.36 0.6 . . . . 15.0 110.015 175.681 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.652 ' O ' ' HA ' ' A' ' 29' ' ' PHE . 1.2 mm-40 -108.06 148.33 29.94 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-N 115.421 -0.808 . . . . 15.0 111.531 -177.821 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.492 HG22 ' CD2' ' A' ' 29' ' ' PHE . 5.2 t -122.52 91.88 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.304 0 CA-C-N 114.313 -1.312 . . . . 15.0 108.756 178.545 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.757 ' O ' ' HA ' ' A' ' 27' ' ' PRO . 33.3 ttm-85 -107.28 149.16 28.09 Favored 'General case' 0 C--N 1.314 -0.936 0 C-N-CA 119.981 -0.688 . . . . 15.0 110.059 -178.392 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.596 ' HD2' ' N ' ' A' ' 27' ' ' PRO . 0.2 OUTLIER -105.27 109.83 21.96 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 108.4 -0.963 . . . . 15.0 108.4 -174.813 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.604 ' HB1' ' HD2' ' A' ' 23' ' ' PRO . . . -61.76 163.74 11.75 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 116.194 -0.457 . . . . 15.0 110.465 -179.804 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.604 ' HD2' ' HB1' ' A' ' 22' ' ' ALA . 18.7 Cg_endo -59.17 -18.79 46.13 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 122.595 2.196 . . . . 15.0 113.37 -178.021 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 15.4 p30 -80.44 -10.0 59.75 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.556 0.694 . . . . 15.0 109.755 176.61 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 88.13 42.03 6.06 Favored Glycine 0 N--CA 1.438 -1.209 0 CA-C-N 115.077 -0.965 . . . . 15.0 112.466 178.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.477 ' C ' ' HD2' ' A' ' 21' ' ' HIS . 16.8 mmt180 -128.54 136.33 28.94 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 120.611 0.243 . . . . 15.0 110.929 177.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.757 ' HA ' ' O ' ' A' ' 20' ' ' ARG . 83.5 Cg_endo -88.15 115.24 0.9 Allowed 'Trans proline' 0 N--CA 1.462 -0.329 0 C-N-CA 122.398 2.065 . . . . 15.0 112.567 176.258 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.514 ' HB3' ' CZ3' ' A' ' 39' ' ' TRP . 0.9 OUTLIER -104.88 123.23 47.36 Favored 'General case' 0 N--CA 1.44 -0.944 0 CA-C-N 113.804 -1.543 . . . . 15.0 108.632 175.773 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.652 ' HA ' ' O ' ' A' ' 18' ' ' GLU . 12.1 m-85 -89.85 118.98 29.84 Favored 'General case' 0 N--CA 1.442 -0.857 0 CA-C-N 115.743 -0.662 . . . . 15.0 109.621 -174.02 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.76 HG21 ' HB3' ' B' ' 117' ' ' TYR . 29.9 mt -101.78 128.95 53.76 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.08 0 CA-C-N 115.347 -0.842 . . . . 15.0 110.346 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 62.6 t0 -90.86 104.25 16.86 Favored 'General case' 0 C--N 1.308 -1.229 0 N-CA-C 107.636 -1.246 . . . . 15.0 107.636 169.705 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.513 ' HE1' ' OE2' ' B' ' 119' ' ' GLU . 11.9 m170 -79.47 -3.09 45.01 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 114.809 -1.087 . . . . 15.0 110.69 -172.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 21.0 m-80 -89.92 -52.75 4.82 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.238 0.542 . . . . 15.0 110.394 175.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.4 m -96.65 -1.62 46.34 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 115.565 -0.743 . . . . 15.0 111.786 -173.647 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.743 ' HG3' ' HE1' ' B' ' 117' ' ' TYR . 12.9 mptt 65.95 23.43 11.23 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-O 120.922 0.391 . . . . 15.0 110.745 -179.495 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 23.2 p -102.97 128.0 49.97 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.297 -0.411 . . . . 15.0 111.029 -174.543 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.663 ' HB ' ' HB2' ' B' ' 114' ' ' PRO . 6.8 p -108.83 136.55 48.2 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.163 0.506 . . . . 15.0 111.49 -178.364 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.678 ' OG1' ' HG3' ' A' ' 40' ' ' GLU . 5.7 t -149.16 150.05 32.02 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.915 -0.584 . . . . 15.0 110.352 -176.451 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.514 ' CZ3' ' HB3' ' A' ' 28' ' ' PHE . 45.3 m95 -93.82 -7.93 41.93 Favored 'General case' 0 CA--C 1.508 -0.665 0 CA-C-O 121.017 0.436 . . . . 15.0 110.197 179.229 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.678 ' HG3' ' OG1' ' A' ' 38' ' ' THR . 1.2 pp20? -91.21 151.86 20.77 Favored 'General case' 0 N--CA 1.437 -1.109 0 C-N-CA 120.024 -0.671 . . . . 15.0 109.993 -175.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -101.72 129.14 27.26 Favored Pre-proline 0 C--N 1.314 -0.946 0 CA-C-N 115.19 -0.914 . . . . 15.0 111.01 -162.392 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_endo -65.38 -13.7 41.13 Favored 'Trans proline' 0 CA--C 1.531 0.351 0 C-N-CA 122.725 2.284 . . . . 15.0 113.293 -179.04 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 4.2 ptp180 -79.11 -17.19 55.54 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.631 0.729 . . . . 15.0 109.62 177.534 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 83.6 mt -74.81 -9.64 58.74 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 114.974 -1.012 . . . . 15.0 110.698 178.466 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.1 ttmp? . . . . . 0 C--N 1.312 -1.05 0 CA-C-N 114.591 -1.186 . . . . 15.0 109.463 177.971 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.479 0.999 0 N-CA-C 109.289 -0.634 . . . . 15.0 109.289 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 13.4 tt -66.28 117.53 44.31 Favored Pre-proline 0 CA--C 1.539 0.53 0 CA-C-O 120.977 0.418 . . . . 15.0 112.096 -176.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 114' ' ' PRO . . . . . 0.663 ' HB2' ' HB ' ' A' ' 37' ' ' THR . 5.0 Cg_exo -73.99 138.87 26.34 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.433 2.089 . . . . 15.0 111.892 172.154 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 115' ' ' PRO . . . . . 0.424 ' HA ' ' HD2' ' B' ' 116' ' ' PRO . 74.9 Cg_exo -54.5 125.16 18.04 Favored 'Trans proline' 0 CA--C 1.53 0.325 0 C-N-CA 123.044 2.496 . . . . 15.0 113.243 173.272 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 116' ' ' PRO . . . . . 0.424 ' HD2' ' HA ' ' B' ' 115' ' ' PRO . 7.6 Cg_endo -49.02 -179.65 0.01 OUTLIER 'Trans proline' 0 N--CA 1.415 -3.11 0 C-N-CA 125.202 3.935 . . . . 15.0 115.233 167.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 117' ' ' TYR . . . . . 0.76 ' HB3' HG21 ' A' ' 30' ' ' ILE . 30.1 p90 -79.22 132.42 36.5 Favored 'General case' 1 C--N 1.244 -4.005 1 CA-C-N 105.77 -5.196 . . . . 15.0 110.14 179.804 . . . . . . . . 4 3 . 1 . 010 nuclear nobuild full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 28.2 m -110.3 -9.99 11.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-O 121.131 0.491 . . . . 15.0 110.216 178.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 119' ' ' GLU . . . . . 0.513 ' OE2' ' HE1' ' A' ' 32' ' ' HIS . 2.8 mp0 -71.07 116.1 43.17 Favored Pre-proline 0 C--N 1.326 -0.446 0 CA-C-N 115.469 -0.787 . . . . 15.0 110.652 179.444 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 120' ' ' PRO . . . . . 0.49 ' HD3' ' HA ' ' B' ' 119' ' ' GLU . 7.8 Cg_exo . . . . . 0 C--O 1.247 0.929 0 C-N-CA 123.309 2.673 . . . . 15.0 112.041 -177.569 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 55.7 p90 . . . . . 0 N--CA 1.482 1.173 0 CA-C-O 120.949 0.404 . . . . 15.0 111.032 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.645 HD11 HG23 ' A' ' 19' ' ' VAL . 47.3 mt -83.76 149.23 56.45 Favored Pre-proline 0 C--N 1.321 -0.634 0 CA-C-O 121.33 0.586 . . . . 15.0 111.976 -175.763 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.73 ' HB2' ' CD1' ' A' ' 17' ' ' TRP . 0.8 OUTLIER -49.55 151.07 7.73 Favored 'Trans proline' 0 CA--C 1.494 -1.477 0 C-N-CA 123.676 2.917 . . . . 15.0 113.872 160.864 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 44.8 tptt -59.06 122.6 14.15 Favored 'General case' 0 C--N 1.283 -2.293 0 CA-C-N 111.48 -2.6 . . . . 15.0 110.702 -172.013 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 83.07 8.7 85.27 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 121.165 -0.54 . . . . 15.0 112.722 176.729 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.73 ' CD1' ' HB2' ' A' ' 14' ' ' PRO . 25.8 m95 -89.97 140.35 29.71 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.359 0.6 . . . . 15.0 110.784 176.577 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.739 ' O ' ' HA ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -129.52 150.09 51.01 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.074 -0.966 . . . . 15.0 110.446 -176.177 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.645 HG23 HD11 ' A' ' 13' ' ' LEU . 19.4 t -130.87 90.47 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.296 -1.747 0 CA-C-N 114.401 -1.272 . . . . 15.0 108.656 175.413 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.742 ' O ' ' HA ' ' A' ' 27' ' ' PRO . 26.2 ttm180 -117.09 147.02 42.76 Favored 'General case' 0 C--N 1.314 -0.944 0 C-N-CA 120.43 -0.508 . . . . 15.0 109.933 -178.089 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.7 ' HD2' ' N ' ' A' ' 27' ' ' PRO . 2.9 m170 -94.65 119.34 33.13 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 109.275 -0.639 . . . . 15.0 109.275 178.379 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.588 ' HB1' ' HD2' ' A' ' 23' ' ' PRO . . . -69.92 164.71 49.28 Favored Pre-proline 0 C--N 1.32 -0.676 0 N-CA-C 109.614 -0.513 . . . . 15.0 109.614 174.57 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.588 ' HD2' ' HB1' ' A' ' 22' ' ' ALA . 15.9 Cg_endo -58.09 -12.13 11.94 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 122.542 2.161 . . . . 15.0 113.347 -179.207 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 21.0 p30 -80.45 -15.52 56.58 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.305 0.574 . . . . 15.0 109.979 177.242 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 97.27 22.81 15.98 Favored Glycine 0 N--CA 1.439 -1.124 0 CA-C-N 115.629 -0.714 . . . . 15.0 112.922 177.571 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.553 ' C ' ' HD2' ' A' ' 21' ' ' HIS . 26.4 mmm180 -122.86 143.82 41.35 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 122.647 -0.325 . . . . 15.0 111.298 -178.411 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.742 ' HA ' ' O ' ' A' ' 20' ' ' ARG . 82.6 Cg_endo -88.5 120.33 1.21 Allowed 'Trans proline' 0 N--CA 1.459 -0.555 0 C-N-CA 122.892 2.395 . . . . 15.0 112.233 176.284 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.43 ' CE2' HD11 ' A' ' 30' ' ' ILE . 1.7 p90 -107.59 123.33 48.3 Favored 'General case' 0 N--CA 1.434 -1.228 0 CA-C-N 113.741 -1.572 . . . . 15.0 108.559 176.327 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.739 ' HA ' ' O ' ' A' ' 18' ' ' GLU . 4.8 m-85 -89.85 114.71 26.51 Favored 'General case' 0 N--CA 1.441 -0.892 0 N-CA-C 109.354 -0.61 . . . . 15.0 109.354 -175.106 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.645 HG21 ' HB3' ' B' ' 117' ' ' TYR . 15.9 mt -98.51 135.41 33.46 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.918 0 CA-C-N 115.501 -0.772 . . . . 15.0 110.931 -176.764 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -97.4 107.84 20.44 Favored 'General case' 0 C--N 1.309 -1.19 0 CA-C-N 114.975 -1.011 . . . . 15.0 108.697 170.455 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.546 ' NE2' ' HB ' ' A' ' 30' ' ' ILE . 10.7 m170 -87.15 0.75 54.81 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.059 -0.973 . . . . 15.0 110.583 -172.79 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 13.0 m-80 -90.21 -67.5 0.84 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 15.0 110.388 179.197 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 8.7 m -86.3 -4.95 59.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.405 0.621 . . . . 15.0 109.777 -179.229 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.533 ' HD2' ' CE1' ' B' ' 117' ' ' TYR . 29.5 mmtp 72.33 33.09 1.55 Allowed 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 114.731 -1.122 . . . . 15.0 110.75 173.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 48.0 p -102.72 150.25 23.65 Favored 'General case' 0 C--O 1.22 -0.459 0 CA-C-N 116.031 -0.531 . . . . 15.0 110.763 -177.574 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.982 ' HB ' ' HB2' ' B' ' 114' ' ' PRO . 20.6 p -121.91 142.89 49.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 121.931 -0.481 . . . . 15.0 111.982 -178.798 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.525 ' OG1' ' HG3' ' A' ' 40' ' ' GLU . 9.7 t -150.15 150.19 31.29 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 116.019 -0.537 . . . . 15.0 110.203 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 86.4 m95 -89.24 -15.63 33.15 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 120.998 0.428 . . . . 15.0 111.094 178.629 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.525 ' HG3' ' OG1' ' A' ' 38' ' ' THR . 0.6 OUTLIER -99.98 160.55 14.23 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-O 121.551 0.691 . . . . 15.0 112.146 -166.576 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -88.49 136.29 31.6 Favored Pre-proline 0 C--N 1.321 -0.661 0 CA-C-N 114.963 -1.017 . . . . 15.0 111.95 -165.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -66.73 -10.04 26.72 Favored 'Trans proline' 0 CA--C 1.53 0.308 0 C-N-CA 122.875 2.383 . . . . 15.0 112.472 176.248 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.448 ' HD3' ' HA ' ' A' ' 43' ' ' ARG . 19.1 mmt180 -75.27 -11.96 60.18 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.961 0.41 . . . . 15.0 111.037 176.769 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 92.8 mt -80.16 -9.72 59.73 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.695 0.759 . . . . 15.0 110.058 176.312 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 76.9 mttt . . . . . 0 C--N 1.314 -0.954 0 CA-C-N 114.528 -1.215 . . . . 15.0 110.028 -173.454 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 . . . . . 0 N--CA 1.477 0.883 0 CA-C-O 120.917 0.389 . . . . 15.0 110.702 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 47.9 mm -111.06 111.32 56.15 Favored Pre-proline 0 C--N 1.324 -0.529 0 N-CA-C 109.506 -0.553 . . . . 15.0 109.506 177.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 114' ' ' PRO . . . . . 0.982 ' HB2' ' HB ' ' A' ' 37' ' ' THR . 4.7 Cg_exo -71.47 119.7 6.43 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 121.672 1.581 . . . . 15.0 111.721 179.758 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 115' ' ' PRO . . . . . 0.43 ' HA ' ' HD2' ' B' ' 116' ' ' PRO . 18.0 Cg_exo -68.34 136.3 36.62 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.568 2.179 . . . . 15.0 112.315 174.477 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 116' ' ' PRO . . . . . 0.43 ' HD2' ' HA ' ' B' ' 115' ' ' PRO . 6.9 Cg_endo -49.2 -179.55 0.01 OUTLIER 'Trans proline' 0 N--CA 1.415 -3.142 0 C-N-CA 124.998 3.799 . . . . 15.0 114.778 167.258 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 117' ' ' TYR . . . . . 0.645 ' HB3' HG21 ' A' ' 30' ' ' ILE . 24.6 p90 -76.59 131.72 39.06 Favored 'General case' 1 C--N 1.239 -4.201 1 CA-C-N 105.711 -5.222 . . . . 15.0 109.495 179.402 . . . . . . . . 4 3 . 1 . 011 nuclear nobuild full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 5.6 t -112.18 40.12 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-O 121.725 0.774 . . . . 15.0 110.081 -173.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 119' ' ' GLU . . . . . 0.472 ' OE1' ' HB2' ' B' ' 117' ' ' TYR . 2.3 mp0 -119.61 118.52 32.08 Favored Pre-proline 0 C--N 1.323 -0.551 0 N-CA-C 109.096 -0.705 . . . . 15.0 109.096 176.388 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 120' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo . . . . . 0 C--O 1.25 1.09 0 C-N-CA 122.793 2.329 . . . . 15.0 111.802 178.242 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 20.8 p90 . . . . . 0 N--CA 1.483 1.18 0 CA-C-O 120.918 0.389 . . . . 15.0 110.773 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.7 mp -104.29 153.76 38.78 Favored Pre-proline 0 C--N 1.328 -0.351 0 N-CA-C 109.984 -0.376 . . . . 15.0 109.984 174.664 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.749 ' HB2' ' CD1' ' A' ' 17' ' ' TRP . 15.9 Cg_exo -49.55 150.93 7.9 Favored 'Trans proline' 0 CA--C 1.496 -1.385 0 C-N-CA 123.913 3.075 . . . . 15.0 115.362 176.431 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -63.69 120.07 11.11 Favored 'General case' 0 C--N 1.292 -1.909 0 CA-C-N 111.198 -2.728 . . . . 15.0 110.822 -172.273 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 91.34 0.17 73.88 Favored Glycine 0 N--CA 1.448 -0.566 0 CA-C-N 116.123 -0.489 . . . . 15.0 112.219 178.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.749 ' CD1' ' HB2' ' A' ' 14' ' ' PRO . 40.6 m95 -89.97 114.62 26.48 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.298 0.57 . . . . 15.0 110.572 177.82 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.592 ' O ' ' HA ' ' A' ' 29' ' ' PHE . 3.0 mt-10 -102.96 150.06 23.91 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.233 -0.894 . . . . 15.0 111.827 -178.09 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.538 HG22 ' CD2' ' A' ' 29' ' ' PHE . 15.9 t -119.02 103.17 14.08 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.188 0 CA-C-N 114.343 -1.299 . . . . 15.0 108.926 173.668 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.709 ' O ' ' HA ' ' A' ' 27' ' ' PRO . 10.6 ttm180 -125.92 146.6 49.78 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 120.681 -0.407 . . . . 15.0 109.977 -178.593 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.7 ' HD2' ' N ' ' A' ' 27' ' ' PRO . 0.0 OUTLIER -96.75 118.87 34.15 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 109.123 -0.695 . . . . 15.0 109.123 -177.751 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.16 160.68 82.08 Favored Pre-proline 0 C--N 1.32 -0.706 0 N-CA-C 109.228 -0.656 . . . . 15.0 109.228 175.273 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -59.82 -10.51 12.17 Favored 'Trans proline' 0 CA--C 1.534 0.504 0 C-N-CA 122.77 2.313 . . . . 15.0 113.393 -177.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 20.3 p30 -80.41 -12.99 59.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.305 0.574 . . . . 15.0 109.968 176.537 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.37 9.9 46.21 Favored Glycine 0 N--CA 1.44 -1.089 0 CA-C-N 115.45 -0.795 . . . . 15.0 113.095 177.447 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.404 ' C ' ' HD2' ' A' ' 21' ' ' HIS . 10.5 mmm180 -111.16 140.75 23.17 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 122.701 -0.293 . . . . 15.0 111.342 -178.316 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.709 ' HA ' ' O ' ' A' ' 20' ' ' ARG . 93.7 Cg_endo -88.58 115.15 0.8 Allowed 'Trans proline' 0 N--CA 1.457 -0.667 0 C-N-CA 122.659 2.239 . . . . 15.0 111.85 173.383 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.625 ' HD1' ' H ' ' A' ' 28' ' ' PHE . 0.4 OUTLIER -99.52 124.14 44.42 Favored 'General case' 0 N--CA 1.437 -1.118 0 CA-C-N 114.383 -1.281 . . . . 15.0 108.48 176.488 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.592 ' HA ' ' O ' ' A' ' 18' ' ' GLU . 7.2 m-85 -89.71 117.84 28.87 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.51 -0.768 . . . . 15.0 109.374 -174.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.706 HG21 ' HB3' ' B' ' 117' ' ' TYR . 20.0 mt -104.49 134.67 45.22 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.885 0 CA-C-N 115.618 -0.719 . . . . 15.0 111.377 -175.522 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -89.95 115.35 27.18 Favored 'General case' 0 C--N 1.307 -1.262 0 N-CA-C 108.096 -1.076 . . . . 15.0 108.096 168.013 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.418 ' NE2' ' HB ' ' A' ' 30' ' ' ILE . 11.9 m170 -94.32 5.04 53.01 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 115.842 -0.617 . . . . 15.0 110.927 -174.171 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 26.5 m-80 -90.02 -62.28 1.5 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.032 0.444 . . . . 15.0 110.846 177.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.8 m -111.43 2.58 17.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.004 -0.543 . . . . 15.0 110.599 -174.101 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.1 tmmm? 66.66 92.26 0.08 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.368 -0.833 . . . . 15.0 110.208 -178.536 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.1 m -140.61 150.31 43.43 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 114.81 -1.086 . . . . 15.0 108.279 177.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 1.062 ' HB ' ' HB2' ' B' ' 114' ' ' PRO . 5.5 p -138.23 135.9 36.02 Favored 'General case' 0 C--N 1.313 -1.007 0 C-N-CA 120.39 -0.524 . . . . 15.0 112.101 -176.092 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 14.7 t -150.27 150.21 31.21 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 115.68 -0.691 . . . . 15.0 109.408 -179.472 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 70.0 m95 -91.09 -19.87 22.66 Favored 'General case' 0 CA--C 1.512 -0.511 0 CA-C-O 121.897 0.856 . . . . 15.0 109.697 176.778 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -103.6 128.91 50.79 Favored 'General case' 0 C--N 1.31 -1.139 0 CA-C-N 114.263 -1.335 . . . . 15.0 110.613 -168.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -52.65 130.65 46.09 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 114.41 -1.268 . . . . 15.0 111.923 -170.381 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -68.84 -9.91 27.61 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.805 2.337 . . . . 15.0 112.093 178.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 11.2 tpp180 -76.95 -23.49 52.38 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.395 0.617 . . . . 15.0 110.13 178.455 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 88.4 mt -72.18 -9.81 58.94 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.35 -0.841 . . . . 15.0 110.811 174.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 45.7 mmtm . . . . . 0 C--N 1.308 -1.213 0 CA-C-N 114.799 -1.091 . . . . 15.0 109.722 177.631 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 . . . . . 0 N--CA 1.479 0.997 0 N-CA-C 109.822 -0.436 . . . . 15.0 109.822 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 64.9 mt 69.56 103.68 0.03 OUTLIER Pre-proline 0 C--O 1.234 0.244 0 O-C-N 123.648 0.593 . . . . 15.0 110.628 -177.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 114' ' ' PRO . . . . . 1.062 ' HB2' ' HB ' ' A' ' 37' ' ' THR . 9.8 Cg_exo -69.05 127.61 15.42 Favored 'Trans proline' 0 N--CA 1.461 -0.393 0 C-N-CA 122.249 1.966 . . . . 15.0 111.802 178.211 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 115' ' ' PRO . . . . . 0.478 ' HA ' ' HD2' ' B' ' 116' ' ' PRO . 93.0 Cg_endo -81.81 134.56 8.51 Favored 'Trans proline' 0 CA--C 1.529 0.257 0 C-N-CA 122.897 2.398 . . . . 15.0 112.729 179.246 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 116' ' ' PRO . . . . . 0.478 ' HD2' ' HA ' ' B' ' 115' ' ' PRO . 7.3 Cg_endo -48.56 -179.64 0.01 OUTLIER 'Trans proline' 0 N--CA 1.419 -2.895 1 C-N-CA 125.396 4.064 . . . . 15.0 115.661 172.886 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 117' ' ' TYR . . . . . 0.706 ' HB3' HG21 ' A' ' 30' ' ' ILE . 30.4 p90 -70.86 120.08 15.93 Favored 'General case' 1 C--N 1.243 -4.039 1 CA-C-N 105.84 -5.163 . . . . 15.0 110.101 -177.807 . . . . . . . . 4 3 . 1 . 012 nuclear nobuild full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 14.4 p -80.43 -14.11 12.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 121.663 0.745 . . . . 15.0 109.626 176.025 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -149.48 134.67 9.58 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 115.134 -0.939 . . . . 15.0 109.794 179.553 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 120' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_endo . . . . . 0 C--O 1.25 1.119 0 C-N-CA 122.755 2.303 . . . . 15.0 111.956 177.668 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 23.7 p90 . . . . . 0 N--CA 1.484 1.228 0 CA-C-O 120.997 0.427 . . . . 15.0 110.485 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.2 mp -79.22 151.69 75.66 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 116.075 -0.511 . . . . 15.0 110.383 178.448 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.692 ' HB2' ' CD1' ' A' ' 17' ' ' TRP . 15.8 Cg_exo -49.65 151.25 7.86 Favored 'Trans proline' 0 CA--C 1.493 -1.562 0 C-N-CA 124.33 3.354 . . . . 15.0 115.38 174.433 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.405 ' HD2' ' H ' ' A' ' 15' ' ' LYS . 10.6 mptt -65.14 137.11 57.44 Favored 'General case' 0 C--N 1.291 -1.937 0 CA-C-N 111.221 -2.718 . . . . 15.0 110.142 -174.068 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.82 -1.33 68.31 Favored Glycine 0 C--N 1.319 -0.397 0 CA-C-N 115.413 -0.812 . . . . 15.0 112.731 -179.258 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.692 ' CD1' ' HB2' ' A' ' 14' ' ' PRO . 49.4 m95 -90.24 103.86 16.5 Favored 'General case' 0 CA--C 1.516 -0.354 0 CA-C-O 121.392 0.615 . . . . 15.0 109.537 175.76 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.571 ' O ' ' HA ' ' A' ' 29' ' ' PHE . 27.4 mm-40 -96.02 145.68 25.25 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.911 -1.04 . . . . 15.0 111.735 -174.73 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.481 HG22 ' CD2' ' A' ' 29' ' ' PHE . 10.0 t -117.66 91.0 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.848 0 CA-C-N 114.97 -1.014 . . . . 15.0 110.121 -179.23 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.638 ' O ' ' HA ' ' A' ' 27' ' ' PRO . 6.7 ttm180 -105.67 134.52 48.65 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.606 -0.438 . . . . 15.0 110.123 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.631 ' HD2' ' N ' ' A' ' 27' ' ' PRO . 0.2 OUTLIER -91.01 107.76 19.41 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 108.143 -1.058 . . . . 15.0 108.143 176.21 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.612 ' HB1' ' HD2' ' A' ' 23' ' ' PRO . . . -63.01 164.57 12.71 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 116.556 -0.293 . . . . 15.0 110.385 -178.533 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.612 ' HD2' ' HB1' ' A' ' 22' ' ' ALA . 16.8 Cg_endo -58.1 -16.82 28.9 Favored 'Trans proline' 0 C--N 1.35 0.614 0 C-N-CA 122.754 2.302 . . . . 15.0 113.493 -178.402 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.41 ' OD1' ' HB3' ' A' ' 22' ' ' ALA . 32.4 p-10 -80.49 -11.05 59.72 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.21 -0.663 . . . . 15.0 109.21 177.379 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 85.58 39.32 8.31 Favored Glycine 0 N--CA 1.437 -1.266 0 CA-C-N 114.8 -1.091 . . . . 15.0 112.382 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.424 ' HD3' ' HA ' ' A' ' 26' ' ' ARG . 18.9 mmt180 -127.18 133.92 25.58 Favored Pre-proline 0 C--N 1.324 -0.538 0 N-CA-C 110.099 -0.334 . . . . 15.0 110.099 175.258 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.638 ' HA ' ' O ' ' A' ' 20' ' ' ARG . 73.2 Cg_endo -88.72 107.16 0.48 Allowed 'Trans proline' 0 N--CA 1.451 -1.011 0 C-N-CA 122.201 1.934 . . . . 15.0 111.356 177.843 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.649 ' HD1' ' H ' ' A' ' 28' ' ' PHE . 0.2 OUTLIER -97.57 124.15 41.73 Favored 'General case' 0 N--CA 1.441 -0.893 0 CA-C-N 114.319 -1.309 . . . . 15.0 108.814 177.024 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.571 ' HA ' ' O ' ' A' ' 18' ' ' GLU . 11.6 m-85 -89.8 118.49 29.43 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.289 -0.868 . . . . 15.0 109.515 -174.403 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.747 HG21 ' HB3' ' B' ' 117' ' ' TYR . 19.0 mt -104.6 136.59 37.45 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.874 0 CA-C-N 115.418 -0.81 . . . . 15.0 110.772 -177.46 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.544 ' HB3' ' HB ' ' A' ' 36' ' ' THR . 1.2 t70 -89.68 116.09 27.54 Favored 'General case' 0 C--N 1.308 -1.237 0 CA-C-N 115.277 -0.874 . . . . 15.0 108.696 171.158 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.443 ' NE2' ' HB ' ' A' ' 30' ' ' ILE . 12.6 m-70 -103.62 4.96 36.17 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.035 -0.984 . . . . 15.0 110.776 -175.539 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 15.9 m-80 -84.1 -30.43 25.97 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-O 121.558 0.694 . . . . 15.0 109.55 179.139 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.464 ' O ' ' HB3' ' A' ' 35' ' ' LYS . 84.3 m -138.85 -71.9 0.4 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.151 -0.931 . . . . 15.0 109.477 178.759 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.534 ' O ' ' HG3' ' A' ' 35' ' ' LYS . 19.4 ptpt 161.1 103.59 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.34 0 O-C-N 124.392 1.058 . . . . 15.0 110.21 173.833 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.544 ' HB ' ' HB3' ' A' ' 31' ' ' ASP . 1.3 m -150.36 150.89 32.04 Favored 'General case' 0 C--N 1.307 -1.241 0 CA-C-N 114.608 -1.178 . . . . 15.0 109.594 -178.771 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 1.006 ' HB ' ' HB2' ' B' ' 114' ' ' PRO . 1.0 OUTLIER -141.14 132.79 27.16 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-O 121.117 0.484 . . . . 15.0 111.684 178.675 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.535 ' OG1' ' HG3' ' A' ' 40' ' ' GLU . 9.3 t -150.02 150.16 31.38 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.941 -0.572 . . . . 15.0 110.388 -179.375 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 63.3 m95 -92.49 -12.26 32.45 Favored 'General case' 0 CA--C 1.514 -0.415 0 CA-C-O 120.904 0.383 . . . . 15.0 110.337 177.723 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.535 ' HG3' ' OG1' ' A' ' 38' ' ' THR . 1.0 OUTLIER -99.23 159.98 14.6 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-N 115.972 -0.558 . . . . 15.0 110.693 -172.723 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.687 ' HB3' ' HG3' ' A' ' 43' ' ' ARG . 4.7 m-20 -91.88 125.59 56.59 Favored Pre-proline 0 C--N 1.319 -0.731 0 CA-C-N 115.897 -0.592 . . . . 15.0 111.43 -171.002 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -60.99 -9.78 13.06 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 123.388 2.725 . . . . 15.0 112.289 176.032 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.687 ' HG3' ' HB3' ' A' ' 41' ' ' ASP . 13.9 mtt180 -60.99 -26.05 67.31 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 116.139 -0.482 . . . . 15.0 110.917 -178.545 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 71.2 mt -79.95 -10.04 59.74 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.591 0.71 . . . . 15.0 111.117 -178.205 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 57.1 mttp . . . . . 0 C--N 1.307 -1.243 0 CA-C-N 114.873 -1.058 . . . . 15.0 110.36 -173.888 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 15.1 pm0 . . . . . 0 N--CA 1.478 0.972 0 CA-C-O 121.306 0.574 . . . . 15.0 110.761 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 69.0 mt -96.82 118.9 64.57 Favored Pre-proline 0 C--N 1.326 -0.426 0 CA-C-N 116.233 -0.44 . . . . 15.0 110.296 179.648 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 114' ' ' PRO . . . . . 1.006 ' HB2' ' HB ' ' A' ' 37' ' ' THR . 2.7 Cg_exo -71.21 122.52 8.79 Favored 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 122.117 1.878 . . . . 15.0 112.13 177.083 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 115' ' ' PRO . . . . . 0.467 ' HA ' ' HD2' ' B' ' 116' ' ' PRO . 31.2 Cg_exo -63.02 125.69 16.4 Favored 'Trans proline' 0 N--CA 1.474 0.342 0 C-N-CA 122.881 2.387 . . . . 15.0 112.66 173.104 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 116' ' ' PRO . . . . . 0.467 ' HD2' ' HA ' ' B' ' 115' ' ' PRO . 7.2 Cg_endo -48.91 -179.64 0.01 OUTLIER 'Trans proline' 0 N--CA 1.416 -3.085 0 C-N-CA 124.747 3.631 . . . . 15.0 114.9 168.683 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 117' ' ' TYR . . . . . 0.747 ' HB3' HG21 ' A' ' 30' ' ' ILE . 25.5 p90 -72.98 127.2 31.84 Favored 'General case' 1 C--N 1.243 -4.052 1 CA-C-N 105.973 -5.103 . . . . 15.0 109.806 -179.394 . . . . . . . . 4 3 . 1 . 013 nuclear nobuild full ' B' B ' 118' ' ' VAL . . . . . 0.426 ' O ' ' HD3' ' B' ' 120' ' ' PRO . 8.6 p -108.7 -3.61 10.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 N-CA-C 108.761 -0.829 . . . . 15.0 108.761 177.032 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 119' ' ' GLU . . . . . 0.412 ' OE2' ' HE1' ' A' ' 32' ' ' HIS . 1.8 mp0 -80.62 109.67 13.99 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 114.681 -1.145 . . . . 15.0 110.191 177.365 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 120' ' ' PRO . . . . . 0.426 ' HD3' ' O ' ' B' ' 118' ' ' VAL . 72.1 Cg_endo . . . . . 0 N--CA 1.446 -1.309 0 C-N-CA 123.087 2.524 . . . . 15.0 111.738 178.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 34.6 p90 . . . . . 0 N--CA 1.477 0.92 0 CA-C-O 121.287 0.565 . . . . 15.0 110.652 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.418 HD13 ' HA ' ' A' ' 13' ' ' LEU . 4.1 mm? -120.15 140.51 30.07 Favored Pre-proline 0 C--N 1.32 -0.677 0 CA-C-N 115.73 -0.668 . . . . 15.0 109.756 175.35 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.762 ' HB2' ' CD1' ' A' ' 17' ' ' TRP . 10.7 Cg_exo -49.85 151.02 8.74 Favored 'Trans proline' 0 CA--C 1.496 -1.397 0 C-N-CA 123.629 2.886 . . . . 15.0 115.03 170.711 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 32.9 ttpt -60.42 124.3 19.93 Favored 'General case' 0 C--N 1.287 -2.141 0 CA-C-N 111.215 -2.721 . . . . 15.0 110.812 -172.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.45 -1.3 88.44 Favored Glycine 0 C--N 1.33 0.213 0 CA-C-N 116.046 -0.525 . . . . 15.0 112.659 -179.731 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.762 ' CD1' ' HB2' ' A' ' 14' ' ' PRO . 51.0 m95 -89.89 117.77 28.96 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.088 0.47 . . . . 15.0 110.145 177.342 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.492 ' O ' ' HA ' ' A' ' 29' ' ' PHE . 31.2 mm-40 -111.4 149.57 31.03 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.5 -0.773 . . . . 15.0 111.694 -176.133 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.53 HG22 ' CD2' ' A' ' 29' ' ' PHE . 16.2 t -115.75 108.66 25.8 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.897 0 CA-C-N 114.772 -1.104 . . . . 15.0 109.229 177.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.715 ' O ' ' HA ' ' A' ' 27' ' ' PRO . 1.0 OUTLIER -123.63 143.64 50.11 Favored 'General case' 0 C--N 1.316 -0.854 0 C-N-CA 120.406 -0.518 . . . . 15.0 110.165 178.484 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.618 ' HD2' ' N ' ' A' ' 27' ' ' PRO . 0.2 OUTLIER -101.95 110.23 22.16 Favored 'General case' 0 C--N 1.311 -1.069 0 N-CA-C 107.846 -1.168 . . . . 15.0 107.846 -178.824 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.416 ' HB3' ' OD1' ' A' ' 24' ' ' ASN . . . -62.52 162.13 22.21 Favored Pre-proline 0 C--N 1.323 -0.558 0 N-CA-C 110.046 -0.353 . . . . 15.0 110.046 -179.802 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -57.97 -18.61 36.25 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.6 2.2 . . . . 15.0 113.381 -176.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.416 ' OD1' ' HB3' ' A' ' 22' ' ' ALA . 33.7 p-10 -80.38 -10.03 59.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.559 0.695 . . . . 15.0 109.477 177.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 88.72 29.6 18.03 Favored Glycine 0 N--CA 1.44 -1.048 0 CA-C-N 114.892 -1.049 . . . . 15.0 112.802 178.099 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.7 mmp_? -115.76 131.03 23.89 Favored Pre-proline 0 C--N 1.321 -0.668 0 N-CA-C 109.405 -0.591 . . . . 15.0 109.405 174.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.715 ' HA ' ' O ' ' A' ' 20' ' ' ARG . 95.3 Cg_endo -88.93 116.54 0.8 Allowed 'Trans proline' 0 N--CA 1.457 -0.649 0 C-N-CA 122.119 1.879 . . . . 15.0 112.411 176.664 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.583 ' HD1' ' H ' ' A' ' 28' ' ' PHE . 0.2 OUTLIER -104.4 123.31 47.21 Favored 'General case' 0 N--CA 1.442 -0.857 0 CA-C-N 113.957 -1.474 . . . . 15.0 109.066 177.894 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.53 ' CD2' HG22 ' A' ' 19' ' ' VAL . 9.3 m-85 -89.74 120.42 30.98 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.591 -0.731 . . . . 15.0 109.628 -174.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.771 HG21 ' HB3' ' B' ' 117' ' ' TYR . 16.9 mt -106.17 136.69 39.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.977 -0.556 . . . . 15.0 111.747 -174.834 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.842 ' HB3' ' HB ' ' A' ' 36' ' ' THR . 0.4 OUTLIER -90.04 110.72 21.7 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-N 114.957 -1.02 . . . . 15.0 108.753 168.867 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.624 ' CE1' ' HB2' ' B' ' 117' ' ' TYR . 12.1 m-70 -93.98 0.27 55.94 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.008 -0.996 . . . . 15.0 110.879 -174.375 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 15.1 m-80 -80.91 -34.22 33.59 Favored 'General case' 0 CA--C 1.512 -0.514 0 N-CA-C 108.996 -0.742 . . . . 15.0 108.996 177.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.408 ' O ' ' HG2' ' A' ' 35' ' ' LYS . 18.0 m -124.67 -87.6 0.62 Allowed 'General case' 0 N--CA 1.443 -0.798 0 CA-C-N 115.507 -0.77 . . . . 15.0 110.841 177.246 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.408 ' HG2' ' O ' ' A' ' 34' ' ' THR . 39.3 mmtm -172.4 21.62 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 122.739 0.416 . . . . 15.0 110.59 -170.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.842 ' HB ' ' HB3' ' A' ' 31' ' ' ASP . 1.9 m -90.16 150.71 21.9 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.461 -0.496 . . . . 15.0 110.967 -168.017 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 1.016 ' HB ' ' HB2' ' B' ' 114' ' ' PRO . 7.7 p -146.58 133.34 20.01 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-N 116.101 -0.5 . . . . 15.0 110.934 -178.615 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.475 ' OG1' ' HG3' ' A' ' 40' ' ' GLU . 10.2 t -150.16 150.15 31.24 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.145 -0.48 . . . . 15.0 110.168 179.512 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 66.7 m95 -88.46 -11.37 46.12 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 121.257 0.551 . . . . 15.0 110.158 178.712 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.475 ' HG3' ' OG1' ' A' ' 38' ' ' THR . 0.4 OUTLIER -108.01 162.55 13.94 Favored 'General case' 0 N--CA 1.44 -0.965 0 CA-C-N 115.623 -0.717 . . . . 15.0 110.372 -172.918 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -97.84 128.56 33.65 Favored Pre-proline 0 C--N 1.319 -0.726 0 CA-C-O 121.326 0.584 . . . . 15.0 112.23 -169.251 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -63.83 -10.1 21.3 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 123.727 2.951 . . . . 15.0 112.438 179.708 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 77.1 mtp180 -76.95 -41.03 44.85 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.777 -0.647 . . . . 15.0 110.178 179.681 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.9 -16.37 55.46 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.263 -0.88 . . . . 15.0 110.975 178.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 37.9 ttmt . . . . . 0 C--O 1.249 1.055 0 O-C-N 125.763 1.914 . . . . 15.0 113.356 178.772 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 27.5 mm-40 . . . . . 0 N--CA 1.482 1.151 0 CA-C-O 120.868 0.366 . . . . 15.0 110.52 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 6.1 tp -108.53 114.91 58.54 Favored Pre-proline 0 C--N 1.317 -0.844 0 CA-C-N 116.038 -0.528 . . . . 15.0 111.022 -176.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 114' ' ' PRO . . . . . 1.016 ' HB2' ' HB ' ' A' ' 37' ' ' THR . 13.8 Cg_exo -68.69 126.12 13.61 Favored 'Trans proline' 0 CA--C 1.53 0.284 0 C-N-CA 122.188 1.925 . . . . 15.0 111.617 173.634 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 115' ' ' PRO . . . . . 0.462 ' HA ' ' HD2' ' B' ' 116' ' ' PRO . 52.2 Cg_exo -57.71 126.75 22.78 Favored 'Trans proline' 0 C--N 1.343 0.26 0 C-N-CA 122.851 2.367 . . . . 15.0 112.775 174.77 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 116' ' ' PRO . . . . . 0.462 ' HD2' ' HA ' ' B' ' 115' ' ' PRO . 6.7 Cg_endo -48.81 -179.65 0.01 OUTLIER 'Trans proline' 0 N--CA 1.415 -3.114 0 C-N-CA 125.016 3.811 . . . . 15.0 115.326 170.495 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 117' ' ' TYR . . . . . 0.771 ' HB3' HG21 ' A' ' 30' ' ' ILE . 2.7 p90 -83.62 133.63 34.83 Favored 'General case' 0 C--N 1.244 -3.993 1 CA-C-N 105.9 -5.137 . . . . 15.0 110.542 -177.168 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 29.1 m -117.97 -7.36 11.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 121.359 0.599 . . . . 15.0 109.559 176.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 119' ' ' GLU . . . . . 0.412 ' HA ' ' HD3' ' B' ' 120' ' ' PRO . 0.4 OUTLIER -102.9 110.5 63.56 Favored Pre-proline 0 C--O 1.237 0.404 0 CA-C-N 115.211 -0.904 . . . . 15.0 109.886 179.159 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 120' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' B' ' 119' ' ' GLU . 4.8 Cg_exo . . . . . 0 C--O 1.247 0.965 0 C-N-CA 123.009 2.473 . . . . 15.0 111.728 178.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.473 ' CE2' ' HD2' ' A' ' 43' ' ' ARG . 28.9 p90 . . . . . 0 N--CA 1.483 1.207 0 CA-C-O 120.897 0.379 . . . . 15.0 111.34 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.4 pp -98.21 160.44 28.24 Favored Pre-proline 0 C--N 1.324 -0.527 0 N-CA-C 108.534 -0.913 . . . . 15.0 108.534 171.427 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.665 ' HB2' ' CD1' ' A' ' 17' ' ' TRP . 44.8 Cg_exo -49.55 150.66 8.3 Favored 'Trans proline' 0 CA--C 1.498 -1.288 0 C-N-CA 123.577 2.852 . . . . 15.0 115.882 -176.77 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -75.62 129.68 37.55 Favored 'General case' 0 C--N 1.288 -2.086 0 CA-C-N 111.241 -2.709 . . . . 15.0 110.687 -172.048 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 88.63 -0.17 82.53 Favored Glycine 0 N--CA 1.451 -0.346 0 CA-C-N 115.662 -0.699 . . . . 15.0 111.423 -176.656 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.665 ' CD1' ' HB2' ' A' ' 14' ' ' PRO . 26.2 m95 -90.92 117.12 29.27 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-O 121.338 0.589 . . . . 15.0 110.043 175.775 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.602 ' O ' ' HA ' ' A' ' 29' ' ' PHE . 11.8 mm-40 -105.03 149.45 25.79 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-N 115.25 -0.886 . . . . 15.0 111.039 -177.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.533 HG22 ' CD2' ' A' ' 29' ' ' PHE . 8.9 t -125.57 90.01 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.297 0 CA-C-N 114.758 -1.11 . . . . 15.0 108.988 178.215 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.677 ' O ' ' HA ' ' A' ' 27' ' ' PRO . 21.9 ttm180 -102.46 144.83 30.41 Favored 'General case' 0 C--N 1.318 -0.775 0 C-N-CA 120.635 -0.426 . . . . 15.0 109.914 -177.402 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.574 ' HD2' ' N ' ' A' ' 27' ' ' PRO . 0.2 OUTLIER -99.53 109.59 22.11 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 108.234 -1.024 . . . . 15.0 108.234 179.074 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.12 164.75 12.5 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-N 116.507 -0.315 . . . . 15.0 110.321 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -59.06 -18.36 43.03 Favored 'Trans proline' 0 C--N 1.35 0.626 0 C-N-CA 122.522 2.148 . . . . 15.0 113.25 -178.46 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 32.3 p-10 -80.41 -10.23 59.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.664 0.745 . . . . 15.0 109.263 177.49 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.3 38.24 7.86 Favored Glycine 0 N--CA 1.438 -1.169 0 CA-C-N 114.793 -1.094 . . . . 15.0 113.077 177.683 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.462 ' O ' ' HA ' ' A' ' 21' ' ' HIS . 6.5 mmp_? -123.25 142.0 37.44 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 122.735 -0.273 . . . . 15.0 110.678 175.404 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.677 ' HA ' ' O ' ' A' ' 20' ' ' ARG . 95.3 Cg_endo -87.76 113.54 0.87 Allowed 'Trans proline' 0 C--O 1.233 0.268 0 C-N-CA 122.329 2.02 . . . . 15.0 112.2 172.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.415 ' H ' ' HD1' ' A' ' 28' ' ' PHE . 0.8 OUTLIER -104.35 123.21 47.0 Favored 'General case' 0 N--CA 1.441 -0.918 0 CA-C-N 114.001 -1.454 . . . . 15.0 108.435 174.253 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.602 ' HA ' ' O ' ' A' ' 18' ' ' GLU . 8.2 m-85 -89.59 124.22 34.36 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.556 -0.747 . . . . 15.0 109.472 -174.781 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.863 HG21 ' HB3' ' B' ' 117' ' ' TYR . 21.3 mt -107.58 133.31 52.72 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.044 0 CA-C-N 115.396 -0.82 . . . . 15.0 110.529 -179.631 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.665 ' O ' ' HA ' ' A' ' 35' ' ' LYS . 13.0 t70 -89.95 114.85 26.74 Favored 'General case' 0 C--N 1.304 -1.384 0 N-CA-C 108.088 -1.079 . . . . 15.0 108.088 169.69 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.553 ' CE1' ' HB2' ' B' ' 117' ' ' TYR . 12.0 m170 -95.56 4.24 53.34 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 116.038 -0.528 . . . . 15.0 110.549 -174.725 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 24.5 m-80 -89.85 -64.01 1.2 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.024 -0.535 . . . . 15.0 110.319 179.389 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.441 ' O ' ' HB3' ' A' ' 35' ' ' LYS . 23.4 m -100.51 -21.67 15.25 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.728 -0.669 . . . . 15.0 109.947 -178.084 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.688 ' HD3' ' HE1' ' B' ' 117' ' ' TYR . 37.4 ttpt 82.6 98.47 0.05 OUTLIER 'General case' 0 CA--C 1.514 -0.412 0 CA-C-N 114.367 -1.288 . . . . 15.0 112.146 178.346 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -150.68 149.97 30.5 Favored 'General case' 0 C--N 1.309 -1.159 0 CA-C-N 113.337 -1.756 . . . . 15.0 108.827 174.478 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.611 ' HB ' ' HG2' ' B' ' 114' ' ' PRO . 4.8 p -126.45 131.46 51.67 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.155 0.502 . . . . 15.0 111.781 178.838 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.522 ' OG1' ' HG3' ' A' ' 40' ' ' GLU . 4.9 t -147.96 150.14 33.47 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.756 -0.656 . . . . 15.0 110.185 -177.362 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 57.7 m95 -90.18 -4.87 56.99 Favored 'General case' 0 CA--C 1.512 -0.514 0 CA-C-O 120.885 0.374 . . . . 15.0 110.844 -177.345 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.522 ' HG3' ' OG1' ' A' ' 38' ' ' THR . 0.7 OUTLIER -105.43 156.99 17.67 Favored 'General case' 0 N--CA 1.438 -1.035 0 CA-C-N 115.979 -0.555 . . . . 15.0 110.957 -173.524 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 1.011 ' HB3' HD13 ' A' ' 44' ' ' LEU . 5.1 t0 -93.49 130.42 35.42 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-N 115.606 -0.725 . . . . 15.0 111.961 -161.829 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -75.21 -12.01 21.1 Favored 'Trans proline' 0 C--N 1.351 0.706 0 C-N-CA 122.655 2.237 . . . . 15.0 113.269 178.043 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.473 ' HD2' ' CE2' ' A' ' 12' ' ' PHE . 64.1 mtm180 -74.17 -19.1 60.67 Favored 'General case' 0 CA--C 1.511 -0.539 0 CA-C-O 122.209 1.004 . . . . 15.0 109.536 177.522 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 1.011 HD13 ' HB3' ' A' ' 41' ' ' ASP . 4.7 mp -77.66 -9.46 58.98 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-N 113.611 -1.631 . . . . 15.0 110.364 -179.512 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.5 mptp? . . . . . 0 C--O 1.25 1.08 0 CA-C-N 114.759 -1.11 . . . . 15.0 110.507 -178.641 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 . . . . . 0 N--CA 1.479 1.006 0 N-CA-C 110.299 -0.26 . . . . 15.0 110.299 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 15.5 pt -54.9 115.23 8.44 Favored Pre-proline 0 CA--C 1.539 0.527 0 O-C-N 123.615 0.572 . . . . 15.0 112.43 -177.533 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 114' ' ' PRO . . . . . 0.611 ' HG2' ' HB ' ' A' ' 37' ' ' THR . 9.3 Cg_endo -78.0 138.35 16.37 Favored 'Trans proline' 0 CA--C 1.534 0.478 0 C-N-CA 122.529 2.153 . . . . 15.0 112.675 178.841 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 115' ' ' PRO . . . . . 0.45 ' HA ' ' HD2' ' B' ' 116' ' ' PRO . 81.1 Cg_exo -51.71 126.35 19.48 Favored 'Trans proline' 0 N--CA 1.477 0.537 0 C-N-CA 123.779 2.986 . . . . 15.0 114.243 174.249 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 116' ' ' PRO . . . . . 0.45 ' HD2' ' HA ' ' B' ' 115' ' ' PRO . 7.9 Cg_endo -49.84 -179.47 0.02 OUTLIER 'Trans proline' 0 N--CA 1.419 -2.909 1 C-N-CA 125.331 4.021 . . . . 15.0 115.193 166.769 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 117' ' ' TYR . . . . . 0.863 ' HB3' HG21 ' A' ' 30' ' ' ILE . 14.4 p90 -77.62 143.83 37.93 Favored 'General case' 0 C--N 1.248 -3.813 1 CA-C-N 105.876 -5.147 . . . . 15.0 110.67 -178.674 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 51.0 t -106.33 -38.52 4.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 108.9 -0.778 . . . . 15.0 108.9 175.357 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 119' ' ' GLU . . . . . 0.456 ' HA ' ' HD3' ' B' ' 120' ' ' PRO . 0.0 OUTLIER -95.98 128.36 37.58 Favored Pre-proline 0 C--N 1.32 -0.712 0 CA-C-N 114.647 -1.16 . . . . 15.0 109.429 177.194 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 120' ' ' PRO . . . . . 0.456 ' HD3' ' HA ' ' B' ' 119' ' ' GLU . 23.3 Cg_exo . . . . . 0 C--O 1.25 1.094 0 C-N-CA 122.615 2.21 . . . . 15.0 112.163 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 45.4 t80 . . . . . 0 N--CA 1.482 1.132 0 CA-C-O 121.41 0.624 . . . . 15.0 110.789 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.4 HD13 ' HA ' ' A' ' 13' ' ' LEU . 3.8 mm? -111.22 148.5 38.84 Favored Pre-proline 0 C--N 1.326 -0.447 0 CA-C-N 116.184 -0.462 . . . . 15.0 110.601 -179.471 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.742 ' HB2' ' CD1' ' A' ' 17' ' ' TRP . 13.0 Cg_exo -49.72 151.14 8.18 Favored 'Trans proline' 0 CA--C 1.496 -1.381 0 C-N-CA 124.193 3.262 . . . . 15.0 115.518 173.456 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 38.5 ttmt -63.01 124.81 22.05 Favored 'General case' 0 C--N 1.289 -2.065 0 CA-C-N 111.425 -2.625 . . . . 15.0 110.654 -173.362 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 87.25 -5.45 85.08 Favored Glycine 0 N--CA 1.451 -0.339 0 CA-C-N 116.042 -0.526 . . . . 15.0 112.146 -177.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.742 ' CD1' ' HB2' ' A' ' 14' ' ' PRO . 48.5 m95 -89.85 114.36 26.1 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.355 -0.609 . . . . 15.0 109.355 175.111 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.662 ' O ' ' HA ' ' A' ' 29' ' ' PHE . 5.7 mm-40 -106.99 144.88 32.98 Favored 'General case' 0 C--N 1.31 -1.141 0 CA-C-N 115.151 -0.931 . . . . 15.0 111.756 -174.589 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.501 HG22 ' CD2' ' A' ' 29' ' ' PHE . 10.2 t -118.93 96.0 4.08 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.176 0 CA-C-N 114.195 -1.366 . . . . 15.0 109.76 -177.477 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.617 ' O ' ' HA ' ' A' ' 27' ' ' PRO . 0.3 OUTLIER -113.07 130.28 56.22 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 120.615 -0.434 . . . . 15.0 110.211 -179.125 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.623 ' HD2' ' N ' ' A' ' 27' ' ' PRO . 0.2 OUTLIER -91.0 110.21 21.47 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.325 -0.991 . . . . 15.0 108.325 176.934 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.15 166.07 11.67 Favored Pre-proline 0 C--N 1.327 -0.401 0 O-C-N 123.215 0.322 . . . . 15.0 110.345 -179.199 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -60.33 -17.8 49.08 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.668 2.246 . . . . 15.0 113.107 177.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 30.3 p30 -80.05 -10.19 59.75 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.141 -0.688 . . . . 15.0 109.141 174.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 83.03 36.88 13.78 Favored Glycine 0 N--CA 1.439 -1.113 0 CA-C-N 114.972 -1.013 . . . . 15.0 112.546 178.428 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 8.7 mpt_? -114.3 129.62 24.71 Favored Pre-proline 0 C--N 1.319 -0.746 0 N-CA-C 109.659 -0.497 . . . . 15.0 109.659 173.207 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.623 ' N ' ' HD2' ' A' ' 21' ' ' HIS . 56.7 Cg_endo -88.91 99.94 0.37 Allowed 'Trans proline' 0 N--CA 1.447 -1.208 0 C-N-CA 121.802 1.668 . . . . 15.0 110.523 173.394 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.424 ' HD1' ' H ' ' A' ' 28' ' ' PHE . 1.2 p90 -94.27 121.88 36.24 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-N 114.259 -1.337 . . . . 15.0 109.357 -178.47 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.662 ' HA ' ' O ' ' A' ' 18' ' ' GLU . 16.2 m-85 -89.79 117.33 28.55 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 115.572 -0.74 . . . . 15.0 109.768 -174.078 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.949 HG21 ' HB3' ' B' ' 117' ' ' TYR . 20.7 mt -102.17 133.64 45.15 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.996 0 CA-C-N 115.425 -0.807 . . . . 15.0 110.173 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.411 ' O ' ' HA ' ' A' ' 35' ' ' LYS . 16.4 t70 -89.97 110.04 21.03 Favored 'General case' 0 C--N 1.302 -1.495 0 N-CA-C 108.27 -1.011 . . . . 15.0 108.27 171.653 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.504 ' NE2' ' HB ' ' A' ' 30' ' ' ILE . 12.3 m170 -90.48 6.21 44.43 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.42 -0.809 . . . . 15.0 110.284 -174.592 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 29.5 m-80 -90.08 -71.67 0.6 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.723 -0.671 . . . . 15.0 110.417 176.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.5 m -98.7 -8.35 26.28 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.62 -0.718 . . . . 15.0 110.16 -173.609 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.411 ' HA ' ' O ' ' A' ' 31' ' ' ASP . 63.4 mttt 76.71 97.44 0.07 Allowed 'General case' 0 CA--C 1.514 -0.42 0 CA-C-N 114.584 -1.189 . . . . 15.0 111.271 179.285 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -150.22 150.56 31.73 Favored 'General case' 0 C--N 1.311 -1.1 0 CA-C-N 113.801 -1.545 . . . . 15.0 109.148 -175.493 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.976 ' HB ' ' HB2' ' B' ' 114' ' ' PRO . 10.7 p -132.73 129.92 39.32 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-O 120.968 0.413 . . . . 15.0 111.375 178.545 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 12.6 t -150.34 149.94 30.77 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 116.014 -0.539 . . . . 15.0 109.726 -176.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 25.2 m95 -97.22 -25.68 15.2 Favored 'General case' 0 CA--C 1.509 -0.603 0 CA-C-O 121.902 0.858 . . . . 15.0 109.711 177.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.455 ' CD ' ' H ' ' A' ' 40' ' ' GLU . 2.3 pm0 -86.61 126.66 34.66 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 114.299 -1.319 . . . . 15.0 110.358 -173.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -53.79 128.43 54.21 Favored Pre-proline 0 C--N 1.317 -0.816 0 CA-C-N 114.504 -1.226 . . . . 15.0 111.851 -174.518 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -65.16 -10.2 24.8 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.793 2.328 . . . . 15.0 112.011 176.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 20.4 mmm180 -72.89 -9.83 59.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.86 -0.609 . . . . 15.0 111.293 179.546 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 88.7 mt -78.86 -9.96 59.65 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.607 0.718 . . . . 15.0 110.764 178.355 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.467 ' HA ' ' HD2' ' A' ' 45' ' ' LYS . 12.5 tptp . . . . . 0 C--N 1.31 -1.114 0 CA-C-N 114.874 -1.057 . . . . 15.0 110.705 179.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? . . . . . 0 N--CA 1.476 0.859 0 N-CA-C 109.771 -0.455 . . . . 15.0 109.771 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 70.7 mt 68.19 98.36 0.04 OUTLIER Pre-proline 0 N--CA 1.467 0.384 0 C-N-CA 123.274 0.63 . . . . 15.0 111.42 -178.457 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 114' ' ' PRO . . . . . 0.976 ' HB2' ' HB ' ' A' ' 37' ' ' THR . 3.1 Cg_exo -74.78 122.07 7.07 Favored 'Trans proline' 0 N--CA 1.461 -0.391 0 C-N-CA 122.62 2.213 . . . . 15.0 112.027 178.169 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 115' ' ' PRO . . . . . 0.411 ' HA ' ' HD2' ' B' ' 116' ' ' PRO . 35.6 Cg_exo -61.44 125.16 16.18 Favored 'Trans proline' 0 CA--C 1.53 0.304 0 C-N-CA 122.724 2.283 . . . . 15.0 113.114 174.256 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 116' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' B' ' 115' ' ' PRO . 8.2 Cg_endo -49.21 -179.55 0.01 OUTLIER 'Trans proline' 0 N--CA 1.415 -3.129 0 C-N-CA 125.15 3.9 . . . . 15.0 114.932 167.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 117' ' ' TYR . . . . . 0.949 ' HB3' HG21 ' A' ' 30' ' ' ILE . 2.4 p90 -96.96 137.06 36.62 Favored 'General case' 1 C--N 1.239 -4.214 1 CA-C-N 105.854 -5.157 . . . . 15.0 109.736 179.414 . . . . . . . . 4 3 . 1 . 016 nuclear nobuild full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 11.0 p -118.11 -13.2 10.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-O 121.776 0.798 . . . . 15.0 108.949 173.182 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 119' ' ' GLU . . . . . 0.483 ' CD ' HH22 ' A' ' 20' ' ' ARG . 2.4 pm0 -84.35 114.25 53.67 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 114.819 -1.082 . . . . 15.0 111.245 -179.789 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 120' ' ' PRO . . . . . . . . . . . . . 8.2 Cg_exo . . . . . 0 C--O 1.245 0.834 0 C-N-CA 123.481 2.787 . . . . 15.0 111.769 179.446 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 62.4 t80 . . . . . 0 N--CA 1.478 0.958 0 CA-C-O 121.254 0.549 . . . . 15.0 110.964 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.1 pp -120.11 153.44 55.39 Favored Pre-proline 0 C--N 1.32 -0.71 0 CA-C-N 116.328 -0.396 . . . . 15.0 109.992 -179.602 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.779 ' HB2' ' CD1' ' A' ' 17' ' ' TRP . 92.4 Cg_exo -50.0 151.29 8.86 Favored 'Trans proline' 0 CA--C 1.496 -1.394 0 C-N-CA 124.146 3.231 . . . . 15.0 116.043 -176.58 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 50.7 mtpt -70.72 142.94 51.44 Favored 'General case' 0 C--N 1.287 -2.109 0 CA-C-N 111.054 -2.794 . . . . 15.0 110.106 -175.548 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 71.35 3.69 54.16 Favored Glycine 0 C--N 1.322 -0.2 0 CA-C-N 116.181 -0.463 . . . . 15.0 112.652 -178.423 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.779 ' CD1' ' HB2' ' A' ' 14' ' ' PRO . 15.5 m95 -90.03 113.01 24.62 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.313 0.577 . . . . 15.0 110.247 177.63 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.544 ' O ' ' HA ' ' A' ' 29' ' ' PHE . 2.4 mm-40 -108.86 149.03 29.72 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.377 -0.829 . . . . 15.0 111.558 -176.649 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.528 HG22 ' CD2' ' A' ' 29' ' ' PHE . 12.9 t -117.38 97.96 6.07 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.185 0 CA-C-N 114.745 -1.116 . . . . 15.0 109.176 179.741 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.76 ' O ' ' HA ' ' A' ' 27' ' ' PRO . 5.6 tpp180 -111.61 146.04 38.11 Favored 'General case' 0 C--N 1.316 -0.85 0 C-N-CA 120.764 -0.374 . . . . 15.0 110.062 -179.06 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.642 ' HD2' ' N ' ' A' ' 27' ' ' PRO . 0.0 OUTLIER -101.49 112.8 25.45 Favored 'General case' 0 C--N 1.314 -0.975 0 N-CA-C 108.117 -1.068 . . . . 15.0 108.117 178.937 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.419 ' HB3' ' OD1' ' A' ' 24' ' ' ASN . . . -65.14 159.5 64.71 Favored Pre-proline 0 C--N 1.321 -0.633 0 N-CA-C 109.479 -0.563 . . . . 15.0 109.479 177.335 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -59.87 -13.28 21.85 Favored 'Trans proline' 0 CA--C 1.532 0.405 0 C-N-CA 122.531 2.154 . . . . 15.0 113.391 -177.424 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.419 ' OD1' ' HB3' ' A' ' 22' ' ' ALA . 29.8 p-10 -80.51 -11.31 59.69 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 109.316 -0.624 . . . . 15.0 109.316 176.351 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 95.75 26.24 12.05 Favored Glycine 0 N--CA 1.44 -1.054 0 CA-C-N 115.345 -0.843 . . . . 15.0 113.142 175.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.416 ' C ' ' HD2' ' A' ' 21' ' ' HIS . 26.9 mmm180 -122.13 139.36 30.37 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 122.651 -0.323 . . . . 15.0 111.291 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.76 ' HA ' ' O ' ' A' ' 20' ' ' ARG . 98.5 Cg_endo -88.26 117.17 1.0 Allowed 'Trans proline' 0 N--CA 1.46 -0.489 0 C-N-CA 122.601 2.201 . . . . 15.0 112.442 175.448 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.498 ' HD1' ' H ' ' A' ' 28' ' ' PHE . 0.3 OUTLIER -105.35 124.0 48.81 Favored 'General case' 0 N--CA 1.436 -1.147 0 CA-C-N 113.546 -1.661 . . . . 15.0 108.099 174.804 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.544 ' HA ' ' O ' ' A' ' 18' ' ' GLU . 11.5 m-85 -89.7 114.09 25.69 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 109.203 -0.665 . . . . 15.0 109.203 -174.573 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.716 HG21 ' HB3' ' B' ' 117' ' ' TYR . 21.6 mt -94.86 127.93 46.45 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.164 0 CA-C-N 115.308 -0.86 . . . . 15.0 110.596 -176.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -90.09 104.32 16.9 Favored 'General case' 0 C--N 1.303 -1.416 0 CA-C-N 114.626 -1.17 . . . . 15.0 108.259 170.77 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.439 ' NE2' ' HB ' ' A' ' 30' ' ' ILE . 11.4 m170 -84.63 2.44 41.53 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.485 -0.78 . . . . 15.0 110.583 -173.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 12.2 m-80 -90.08 -57.68 2.77 Favored 'General case' 0 C--O 1.23 0.071 0 CA-C-O 121.135 0.493 . . . . 15.0 110.562 179.203 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.419 ' O ' ' HB2' ' A' ' 35' ' ' LYS . 0.6 OUTLIER -102.03 1.06 36.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.884 -0.598 . . . . 15.0 110.678 -175.827 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.779 ' HG3' ' HE1' ' B' ' 117' ' ' TYR . 0.8 OUTLIER 69.72 31.57 3.52 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 115.66 -0.7 . . . . 15.0 110.562 179.651 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -92.77 150.49 20.61 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.948 -0.569 . . . . 15.0 110.293 -178.838 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.831 ' HB ' ' HB2' ' B' ' 114' ' ' PRO . 14.0 p -131.98 135.95 46.94 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 120.994 0.426 . . . . 15.0 111.395 178.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.525 ' OG1' ' HG3' ' A' ' 40' ' ' GLU . 9.9 t -150.12 150.14 31.25 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.087 -0.506 . . . . 15.0 110.236 -178.259 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.452 ' CZ3' ' HB3' ' A' ' 28' ' ' PHE . 62.8 m95 -91.25 -16.22 27.95 Favored 'General case' 0 CA--C 1.508 -0.671 0 CA-C-O 121.073 0.463 . . . . 15.0 110.441 178.536 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.525 ' HG3' ' OG1' ' A' ' 38' ' ' THR . 1.2 pp20? -91.53 158.07 16.66 Favored 'General case' 0 N--CA 1.438 -1.035 0 CA-C-N 115.775 -0.648 . . . . 15.0 110.859 -172.507 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -87.77 130.69 45.9 Favored Pre-proline 0 C--N 1.318 -0.776 0 CA-C-N 115.289 -0.869 . . . . 15.0 111.353 -165.163 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -63.64 -9.9 20.1 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.954 2.436 . . . . 15.0 112.008 175.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 21.1 mmm-85 -60.56 -24.38 65.37 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.069 0.462 . . . . 15.0 110.301 177.132 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 91.0 mt -80.42 -9.45 59.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.697 -0.683 . . . . 15.0 110.696 178.708 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 42.4 mttp . . . . . 0 C--N 1.309 -1.153 0 CA-C-N 114.638 -1.164 . . . . 15.0 109.965 -176.861 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.479 1.009 0 CA-C-O 120.56 0.219 . . . . 15.0 110.746 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 48.3 mm 62.4 102.62 0.04 OUTLIER Pre-proline 0 N--CA 1.468 0.43 0 CA-C-N 115.718 -0.673 . . . . 15.0 112.525 176.639 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 114' ' ' PRO . . . . . 0.831 ' HB2' ' HB ' ' A' ' 37' ' ' THR . 11.8 Cg_exo -70.63 131.47 20.06 Favored 'Trans proline' 0 CA--C 1.53 0.278 0 C-N-CA 123.004 2.47 . . . . 15.0 111.51 173.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 115' ' ' PRO . . . . . 0.467 ' HA ' ' HD2' ' B' ' 116' ' ' PRO . 50.6 Cg_exo -58.09 129.32 32.52 Favored 'Trans proline' 0 CA--C 1.531 0.343 0 C-N-CA 122.806 2.338 . . . . 15.0 112.988 173.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 116' ' ' PRO . . . . . 0.467 ' HD2' ' HA ' ' B' ' 115' ' ' PRO . 7.0 Cg_endo -49.15 -179.46 0.01 OUTLIER 'Trans proline' 0 N--CA 1.414 -3.162 0 C-N-CA 125.005 3.804 . . . . 15.0 114.579 167.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 117' ' ' TYR . . . . . 0.779 ' HE1' ' HG3' ' A' ' 35' ' ' LYS . 23.1 p90 -71.93 119.8 16.62 Favored 'General case' 1 C--N 1.24 -4.175 1 CA-C-N 106.002 -5.09 . . . . 15.0 110.274 -179.217 . . . . . . . . 4 3 . 1 . 017 nuclear nobuild full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 11.2 p -90.3 -8.29 10.67 Favored 'Isoleucine or valine' 0 C--O 1.234 0.273 0 CA-C-O 121.735 0.779 . . . . 15.0 109.595 178.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 119' ' ' GLU . . . . . 0.435 ' HA ' ' HD3' ' B' ' 120' ' ' PRO . 18.4 mt-10 -83.46 121.89 76.77 Favored Pre-proline 0 C--N 1.323 -0.557 0 CA-C-N 114.828 -1.078 . . . . 15.0 110.268 -179.367 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 120' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' B' ' 119' ' ' GLU . 2.8 Cg_endo . . . . . 0 C--O 1.249 1.072 0 C-N-CA 122.755 2.304 . . . . 15.0 111.316 177.02 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 53.1 p90 . . . . . 0 N--CA 1.484 1.255 0 CA-C-O 120.753 0.311 . . . . 15.0 111.197 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.731 HD12 ' HG2' ' A' ' 42' ' ' PRO . 3.2 mm? -74.07 154.42 88.61 Favored Pre-proline 0 C--N 1.329 -0.321 0 N-CA-C 109.966 -0.383 . . . . 15.0 109.966 179.166 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.726 ' HB2' ' CD1' ' A' ' 17' ' ' TRP . 16.2 Cg_exo -49.26 150.9 7.05 Favored 'Trans proline' 0 CA--C 1.491 -1.635 0 C-N-CA 123.995 3.13 . . . . 15.0 115.434 176.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.78 135.7 55.24 Favored 'General case' 0 C--N 1.285 -2.208 0 CA-C-N 111.74 -2.482 . . . . 15.0 110.233 -172.413 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 79.14 -8.67 44.15 Favored Glycine 0 CA--C 1.522 0.495 0 CA-C-N 115.311 -0.859 . . . . 15.0 112.685 -173.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.726 ' CD1' ' HB2' ' A' ' 14' ' ' PRO . 53.5 m95 -89.87 115.96 27.58 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.283 -0.636 . . . . 15.0 109.283 175.03 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.526 ' O ' ' HA ' ' A' ' 29' ' ' PHE . 33.7 mm-40 -114.15 145.79 41.18 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-O 121.62 0.724 . . . . 15.0 112.234 -176.551 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.456 HG22 ' CD2' ' A' ' 29' ' ' PHE . 8.2 t -109.68 94.6 3.21 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.055 0 CA-C-N 114.231 -1.35 . . . . 15.0 109.72 -179.644 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.682 ' O ' ' HA ' ' A' ' 27' ' ' PRO . 13.5 ttm180 -107.76 146.33 32.31 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.161 -0.681 . . . . 15.0 109.161 177.299 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.667 ' HD2' ' N ' ' A' ' 27' ' ' PRO . 1.0 OUTLIER -111.7 116.5 30.85 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.852 -0.795 . . . . 15.0 108.852 -173.765 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.07 165.29 13.78 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 116.308 -0.406 . . . . 15.0 110.957 -178.76 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_exo -60.33 -22.96 73.0 Favored 'Trans proline' 0 C--N 1.35 0.611 0 C-N-CA 122.758 2.305 . . . . 15.0 113.291 -178.674 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 28.2 p30 -80.21 -10.15 59.75 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.781 0.8 . . . . 15.0 109.419 176.655 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 83.82 46.9 5.81 Favored Glycine 0 N--CA 1.433 -1.509 0 CA-C-N 114.553 -1.203 . . . . 15.0 112.294 -179.429 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 33.1 mmt180 -120.01 127.3 26.44 Favored Pre-proline 0 C--N 1.322 -0.627 0 N-CA-C 109.277 -0.638 . . . . 15.0 109.277 171.402 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.682 ' HA ' ' O ' ' A' ' 20' ' ' ARG . 97.9 Cg_endo -88.38 106.62 0.51 Allowed 'Trans proline' 0 N--CA 1.451 -0.977 0 C-N-CA 121.768 1.645 . . . . 15.0 111.913 176.799 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.618 ' HD1' ' H ' ' A' ' 28' ' ' PHE . 0.3 OUTLIER -92.34 122.61 34.96 Favored 'General case' 0 N--CA 1.438 -1.028 0 CA-C-N 113.65 -1.614 . . . . 15.0 108.471 176.877 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.526 ' HA ' ' O ' ' A' ' 18' ' ' GLU . 39.1 m-85 -89.7 113.46 24.97 Favored 'General case' 0 CA--C 1.504 -0.813 0 N-CA-C 109.141 -0.689 . . . . 15.0 109.141 -174.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.453 HG21 ' HB3' ' B' ' 117' ' ' TYR . 36.2 mt -93.59 126.2 46.05 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.14 0 CA-C-N 114.856 -1.066 . . . . 15.0 110.164 -178.068 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -90.07 105.83 18.07 Favored 'General case' 0 C--N 1.304 -1.409 0 N-CA-C 108.174 -1.047 . . . . 15.0 108.174 170.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.402 ' HD2' ' O ' ' A' ' 30' ' ' ILE . 13.7 m-70 -83.9 0.04 49.37 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 114.957 -1.02 . . . . 15.0 110.153 -173.711 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 23.4 m-80 -90.1 -72.83 0.55 Allowed 'General case' 0 C--O 1.233 0.184 0 CA-C-N 115.899 -0.591 . . . . 15.0 110.749 179.658 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.0 m -94.67 -2.52 51.1 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.13 0.49 . . . . 15.0 110.648 -173.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.8 mppt? 67.82 83.19 0.17 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.381 -0.827 . . . . 15.0 110.516 -176.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -136.29 150.26 48.82 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 114.553 -1.203 . . . . 15.0 108.639 179.366 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 1.031 ' HB ' ' HB2' ' B' ' 114' ' ' PRO . 4.3 p -140.04 127.03 20.83 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 120.94 0.4 . . . . 15.0 111.618 -176.237 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.401 ' OG1' ' HG3' ' A' ' 40' ' ' GLU . 9.2 t -150.07 150.17 31.34 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.081 -0.509 . . . . 15.0 109.973 -178.475 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 60.9 m95 -89.1 -11.74 43.14 Favored 'General case' 0 CA--C 1.514 -0.41 0 CA-C-O 120.902 0.382 . . . . 15.0 110.585 -178.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.401 ' HG3' ' OG1' ' A' ' 38' ' ' THR . 0.2 OUTLIER -104.8 160.09 15.27 Favored 'General case' 0 N--CA 1.441 -0.885 0 CA-C-O 121.456 0.646 . . . . 15.0 111.596 -171.055 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.726 ' HB3' ' HG3' ' A' ' 43' ' ' ARG . 6.4 m-20 -83.6 128.2 64.82 Favored Pre-proline 0 C--N 1.318 -0.767 0 CA-C-N 114.825 -1.079 . . . . 15.0 112.41 -167.064 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.731 ' HG2' HD12 ' A' ' 13' ' ' LEU . 34.9 Cg_endo -65.37 -9.74 23.37 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 123.128 2.552 . . . . 15.0 112.223 175.601 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.726 ' HG3' ' HB3' ' A' ' 41' ' ' ASP . 15.8 mtt180 -63.2 -14.68 51.91 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 116.207 -0.451 . . . . 15.0 110.514 -179.101 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 60.0 mt -79.81 -9.73 59.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.72 0.772 . . . . 15.0 111.255 -176.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 22.7 tptp . . . . . 0 C--N 1.308 -1.198 0 CA-C-N 114.892 -1.049 . . . . 15.0 110.082 -179.123 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 93.2 mt-30 . . . . . 0 N--CA 1.477 0.894 0 CA-C-O 120.788 0.328 . . . . 15.0 110.735 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 43.1 mm -117.61 113.04 38.59 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 116.044 -0.525 . . . . 15.0 109.604 178.126 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 114' ' ' PRO . . . . . 1.031 ' HB2' ' HB ' ' A' ' 37' ' ' THR . 3.0 Cg_exo -70.46 122.14 8.64 Favored 'Trans proline' 0 N--CA 1.458 -0.569 0 C-N-CA 121.956 1.771 . . . . 15.0 111.727 177.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 115' ' ' PRO . . . . . 0.571 ' HD2' ' CD2' ' A' ' 28' ' ' PHE . 97.1 Cg_endo -82.4 128.88 5.65 Favored 'Trans proline' 0 N--CA 1.462 -0.339 0 C-N-CA 122.648 2.232 . . . . 15.0 113.007 178.03 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 116' ' ' PRO . . . . . 0.498 ' HD2' ' HA ' ' B' ' 115' ' ' PRO . 6.4 Cg_endo -48.92 -179.71 0.01 OUTLIER 'Trans proline' 0 N--CA 1.414 -3.153 0 C-N-CA 125.054 3.836 . . . . 15.0 115.284 172.601 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 117' ' ' TYR . . . . . 0.453 ' HB3' HG21 ' A' ' 30' ' ' ILE . 31.4 p90 -63.82 135.73 56.84 Favored 'General case' 0 C--N 1.246 -3.922 1 CA-C-N 105.706 -5.224 . . . . 15.0 110.797 -176.056 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 42.6 t -100.29 -24.53 4.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 108.923 -0.769 . . . . 15.0 108.923 177.085 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 119' ' ' GLU . . . . . 0.417 ' HA ' ' HD3' ' B' ' 120' ' ' PRO . 18.5 mp0 -65.33 115.95 26.39 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 114.588 -1.187 . . . . 15.0 111.03 -176.479 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 120' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' B' ' 119' ' ' GLU . 32.0 Cg_exo . . . . . 0 C--O 1.25 1.116 0 C-N-CA 123.343 2.695 . . . . 15.0 112.641 -178.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 35.5 p90 . . . . . 0 N--CA 1.48 1.066 0 CA-C-O 120.589 0.233 . . . . 15.0 111.407 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.9 mp -114.91 154.35 47.0 Favored Pre-proline 0 C--O 1.235 0.302 0 CA-C-O 121.055 0.455 . . . . 15.0 111.696 -178.343 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.731 ' HB2' ' CD1' ' A' ' 17' ' ' TRP . 13.4 Cg_exo -49.57 151.24 7.61 Favored 'Trans proline' 0 CA--C 1.495 -1.472 0 C-N-CA 124.564 3.51 . . . . 15.0 115.169 169.112 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.1 mptt -63.38 123.61 19.16 Favored 'General case' 0 C--N 1.287 -2.135 0 CA-C-N 111.522 -2.581 . . . . 15.0 110.732 -173.424 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 87.89 -3.85 85.82 Favored Glycine 0 C--O 1.227 -0.301 0 CA-C-N 115.387 -0.824 . . . . 15.0 112.578 -178.427 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.731 ' CD1' ' HB2' ' A' ' 14' ' ' PRO . 40.9 m95 -89.89 113.62 25.27 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.137 0.494 . . . . 15.0 109.873 176.711 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.639 ' O ' ' HA ' ' A' ' 29' ' ' PHE . 12.7 mm-40 -113.26 148.68 35.09 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.421 -0.809 . . . . 15.0 112.137 -175.208 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.534 HG22 ' CD2' ' A' ' 29' ' ' PHE . 5.6 t -118.35 109.38 26.92 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.061 0 CA-C-N 114.583 -1.19 . . . . 15.0 109.8 178.644 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.774 ' O ' ' HA ' ' A' ' 27' ' ' PRO . 33.2 ttm180 -127.15 149.96 49.72 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.964 -0.384 . . . . 15.0 109.964 176.5 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.672 ' HD2' ' N ' ' A' ' 27' ' ' PRO . 0.1 OUTLIER -103.09 110.67 22.7 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 108.929 -0.767 . . . . 15.0 108.929 -175.618 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.01 159.06 58.8 Favored Pre-proline 0 C--N 1.321 -0.641 0 N-CA-C 110.001 -0.37 . . . . 15.0 110.001 177.305 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -56.45 -15.84 16.56 Favored 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 123.032 2.488 . . . . 15.0 114.191 -176.342 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 29.8 p-10 -80.18 -14.87 58.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.344 0.592 . . . . 15.0 109.734 177.535 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 97.52 29.37 7.87 Favored Glycine 0 N--CA 1.439 -1.163 0 CA-C-N 115.265 -0.88 . . . . 15.0 112.67 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.446 HH11 ' HD3' ' A' ' 26' ' ' ARG . 23.8 mmt180 -119.31 134.16 23.75 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 122.62 -0.341 . . . . 15.0 111.361 177.718 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.774 ' HA ' ' O ' ' A' ' 20' ' ' ARG . 82.0 Cg_endo -88.55 111.27 0.62 Allowed 'Trans proline' 0 N--CA 1.456 -0.686 0 C-N-CA 122.56 2.173 . . . . 15.0 111.806 175.302 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.534 ' HD1' ' H ' ' A' ' 28' ' ' PHE . 0.4 OUTLIER -96.05 122.26 38.69 Favored 'General case' 0 N--CA 1.437 -1.075 0 CA-C-N 113.931 -1.486 . . . . 15.0 108.784 177.295 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.639 ' HA ' ' O ' ' A' ' 18' ' ' GLU . 15.6 m-85 -89.62 109.39 20.35 Favored 'General case' 0 N--CA 1.44 -0.932 0 N-CA-C 108.674 -0.862 . . . . 15.0 108.674 -176.277 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.718 HG21 ' HB3' ' B' ' 117' ' ' TYR . 32.5 mt -93.82 130.26 43.02 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.083 0 CA-C-N 115.185 -0.916 . . . . 15.0 110.314 -176.369 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -90.02 102.69 15.4 Favored 'General case' 0 C--N 1.306 -1.294 0 N-CA-C 108.262 -1.014 . . . . 15.0 108.262 170.318 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.497 ' NE2' ' HB ' ' A' ' 30' ' ' ILE . 12.0 m170 -80.84 2.99 24.08 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.1 -0.955 . . . . 15.0 110.703 -173.077 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 30.5 m-80 -89.7 -61.77 1.62 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.231 -0.44 . . . . 15.0 110.249 177.061 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.2 m -94.26 3.66 54.93 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-N 116.042 -0.526 . . . . 15.0 111.07 -175.331 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.577 ' HG3' ' CE1' ' B' ' 117' ' ' TYR . 12.8 mptt 67.61 25.5 8.26 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 115.928 -0.578 . . . . 15.0 111.065 176.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 59.9 p -103.6 150.08 24.3 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.195 -0.457 . . . . 15.0 110.596 -175.508 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.521 ' HB ' ' HB2' ' B' ' 114' ' ' PRO . 1.2 p -127.57 148.66 50.35 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 112.355 0.502 . . . . 15.0 112.355 -176.5 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 9.0 t -150.21 150.13 31.15 Favored 'General case' 0 C--O 1.222 -0.368 0 CA-C-N 115.857 -0.611 . . . . 15.0 109.681 177.278 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.443 ' CZ2' ' HG3' ' B' ' 112' ' ' GLN . 81.8 m95 -88.55 -13.85 39.09 Favored 'General case' 0 CA--C 1.508 -0.655 0 CA-C-O 121.039 0.447 . . . . 15.0 110.547 178.826 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -104.49 157.42 17.17 Favored 'General case' 0 N--CA 1.436 -1.138 0 CA-C-O 121.458 0.647 . . . . 15.0 111.202 -169.697 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -79.49 136.18 56.29 Favored Pre-proline 0 C--N 1.317 -0.828 0 CA-C-N 115.01 -0.996 . . . . 15.0 111.809 -166.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_endo -64.97 -9.83 23.02 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.493 2.129 . . . . 15.0 111.857 175.452 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.463 ' HD3' ' HA ' ' A' ' 43' ' ' ARG . 29.4 mmt180 -80.37 -9.57 59.75 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.644 -0.707 . . . . 15.0 110.98 177.67 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 88.9 mt -74.28 -9.89 59.05 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-O 121.679 0.752 . . . . 15.0 110.617 176.71 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 9.2 mptt . . . . . 0 C--N 1.311 -1.073 0 CA-C-N 114.66 -1.154 . . . . 15.0 109.592 176.195 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 112' ' ' GLN . . . . . 0.443 ' HG3' ' CZ2' ' A' ' 39' ' ' TRP . 27.6 tp60 . . . . . 0 N--CA 1.477 0.882 0 N-CA-C 109.808 -0.441 . . . . 15.0 109.808 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 113' ' ' ILE . . . . . 0.853 HD13 ' H ' ' B' ' 113' ' ' ILE . 0.2 OUTLIER -76.76 128.49 81.6 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-N 116.265 -0.425 . . . . 15.0 111.001 179.521 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 114' ' ' PRO . . . . . 0.521 ' HB2' ' HB ' ' A' ' 37' ' ' THR . 57.4 Cg_endo -84.02 122.89 3.03 Favored 'Trans proline' 0 N--CA 1.458 -0.595 0 C-N-CA 122.753 2.302 . . . . 15.0 112.518 175.651 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 115' ' ' PRO . . . . . 0.448 ' HA ' ' HD2' ' B' ' 116' ' ' PRO . 51.5 Cg_exo -58.96 126.41 21.0 Favored 'Trans proline' 0 N--CA 1.475 0.422 0 C-N-CA 123.191 2.594 . . . . 15.0 113.555 175.464 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 116' ' ' PRO . . . . . 0.448 ' HD2' ' HA ' ' B' ' 115' ' ' PRO . 7.9 Cg_endo -49.47 -179.41 0.01 OUTLIER 'Trans proline' 0 N--CA 1.413 -3.222 0 C-N-CA 124.868 3.712 . . . . 15.0 114.602 165.483 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 117' ' ' TYR . . . . . 0.718 ' HB3' HG21 ' A' ' 30' ' ' ILE . 11.2 p90 -74.48 119.89 19.29 Favored 'General case' 1 C--N 1.242 -4.092 1 CA-C-N 106.153 -5.021 . . . . 15.0 109.951 179.927 . . . . . . . . 4 3 . 1 . 019 nuclear nobuild full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 8.9 t -90.5 -0.17 8.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 122.024 0.916 . . . . 15.0 109.14 178.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 119' ' ' GLU . . . . . 0.469 ' CD ' HH22 ' A' ' 20' ' ' ARG . 5.3 mm-40 -73.22 122.3 87.3 Favored Pre-proline 0 C--N 1.324 -0.523 0 CA-C-N 114.619 -1.173 . . . . 15.0 110.57 -177.794 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 120' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' B' ' 119' ' ' GLU . 14.7 Cg_exo . . . . . 0 C--O 1.25 1.117 0 C-N-CA 123.166 2.577 . . . . 15.0 111.975 177.266 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 63.2 t80 . . . . . 0 N--CA 1.483 1.19 0 CA-C-O 121.486 0.66 . . . . 15.0 110.847 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.2 mp -109.36 158.55 34.22 Favored Pre-proline 0 C--N 1.316 -0.859 0 CA-C-N 116.223 -0.444 . . . . 15.0 110.464 -179.716 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.737 ' HB2' ' CD1' ' A' ' 17' ' ' TRP . 7.3 Cg_exo -49.54 151.19 7.6 Favored 'Trans proline' 0 CA--C 1.492 -1.599 0 C-N-CA 123.939 3.093 . . . . 15.0 114.943 171.465 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 19.9 pttm -57.06 133.72 55.21 Favored 'General case' 0 C--N 1.289 -2.045 0 CA-C-N 111.489 -2.596 . . . . 15.0 110.941 -172.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 74.22 1.0 59.17 Favored Glycine 0 C--N 1.319 -0.41 0 CA-C-N 115.571 -0.74 . . . . 15.0 113.644 -179.717 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.737 ' CD1' ' HB2' ' A' ' 14' ' ' PRO . 49.1 m95 -89.89 114.58 26.39 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 117.571 0.686 . . . . 15.0 110.236 178.062 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.549 ' O ' ' HA ' ' A' ' 29' ' ' PHE . 2.8 mm-40 -113.86 149.98 34.27 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.275 -0.875 . . . . 15.0 112.096 -175.114 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.484 HG22 ' CD2' ' A' ' 29' ' ' PHE . 12.7 t -118.02 112.74 39.75 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.941 0 CA-C-N 114.489 -1.232 . . . . 15.0 109.574 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.723 ' O ' ' HA ' ' A' ' 27' ' ' PRO . 8.8 ttm180 -128.76 140.41 51.74 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 120.794 -0.362 . . . . 15.0 110.202 177.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.686 ' HD2' ' N ' ' A' ' 27' ' ' PRO . 0.0 OUTLIER -89.97 114.84 26.74 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.324 -0.621 . . . . 15.0 109.324 175.918 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.47 163.66 56.73 Favored Pre-proline 0 C--N 1.322 -0.595 0 N-CA-C 109.462 -0.57 . . . . 15.0 109.462 175.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_exo -57.63 -13.1 13.0 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.766 2.311 . . . . 15.0 113.598 -178.317 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 35.0 p-10 -80.56 -18.16 49.21 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-O 121.198 0.523 . . . . 15.0 110.041 -179.413 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 104.33 10.92 32.72 Favored Glycine 0 N--CA 1.441 -0.996 0 C-N-CA 120.75 -0.738 . . . . 15.0 112.872 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.452 ' C ' ' HD2' ' A' ' 21' ' ' HIS . 10.7 mmm180 -111.5 141.56 24.78 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-O 120.84 0.353 . . . . 15.0 111.497 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.723 ' HA ' ' O ' ' A' ' 20' ' ' ARG . 81.3 Cg_endo -88.66 120.11 1.15 Allowed 'Trans proline' 0 N--CA 1.454 -0.798 0 C-N-CA 122.544 2.162 . . . . 15.0 111.585 171.154 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.478 ' HD1' ' H ' ' A' ' 28' ' ' PHE . 0.3 OUTLIER -105.38 122.88 46.89 Favored 'General case' 0 C--N 1.313 -0.998 0 CA-C-N 114.195 -1.366 . . . . 15.0 108.383 176.284 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.549 ' HA ' ' O ' ' A' ' 18' ' ' GLU . 4.0 m-85 -89.86 118.68 29.62 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.606 -0.725 . . . . 15.0 109.386 -174.463 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.693 HG21 ' HB3' ' B' ' 117' ' ' TYR . 22.0 mt -102.9 133.91 45.39 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.905 0 CA-C-N 115.396 -0.82 . . . . 15.0 111.02 -176.052 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -89.92 109.85 20.84 Favored 'General case' 0 C--N 1.31 -1.116 0 N-CA-C 108.002 -1.111 . . . . 15.0 108.002 169.238 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.465 ' NE2' ' HB ' ' A' ' 30' ' ' ILE . 11.9 m170 -89.27 6.57 39.72 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.826 -0.625 . . . . 15.0 110.706 -174.302 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 28.2 m-80 -90.06 -61.0 1.78 Allowed 'General case' 0 N--CA 1.462 0.173 0 CA-C-O 120.998 0.427 . . . . 15.0 110.853 179.433 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 21.5 m -107.13 -8.55 16.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.506 0.669 . . . . 15.0 110.332 -176.216 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.534 ' NZ ' ' HB3' ' A' ' 35' ' ' LYS . 0.0 OUTLIER 72.46 82.84 0.13 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 114.864 -1.062 . . . . 15.0 110.446 179.422 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 7.6 p -141.87 150.11 41.13 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.789 -1.096 . . . . 15.0 108.622 173.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.929 ' HB ' ' HB2' ' B' ' 114' ' ' PRO . 3.5 p -130.55 138.37 50.15 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.171 0.51 . . . . 15.0 112.359 -173.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 7.0 t -150.11 147.0 27.24 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 115.672 -0.695 . . . . 15.0 109.228 179.111 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 31.4 m95 -88.76 -28.69 20.33 Favored 'General case' 0 CA--C 1.508 -0.656 0 CA-C-O 121.73 0.776 . . . . 15.0 110.241 -179.249 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.468 ' CD ' ' H ' ' A' ' 40' ' ' GLU . 2.3 pm0 -84.64 126.83 33.7 Favored 'General case' 0 C--N 1.31 -1.122 0 CA-C-N 114.162 -1.381 . . . . 15.0 110.701 -173.487 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -52.03 133.27 39.93 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 114.234 -1.348 . . . . 15.0 111.531 -174.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_endo -63.93 -11.52 27.5 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.795 2.33 . . . . 15.0 112.69 179.506 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 39.1 mmt180 -80.02 -9.91 59.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.317 -0.401 . . . . 15.0 110.91 178.161 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 90.6 mt -76.68 -9.73 58.87 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.412 0.625 . . . . 15.0 111.54 -178.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 56.3 tttm . . . . . 0 C--N 1.309 -1.173 0 CA-C-N 115.245 -0.889 . . . . 15.0 110.147 -178.383 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 10.6 tp60 . . . . . 0 N--CA 1.478 0.938 0 N-CA-C 109.711 -0.477 . . . . 15.0 109.711 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 113' ' ' ILE . . . . . . . . . . . . . 70.2 mt -81.19 112.13 30.36 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 116.618 -0.265 . . . . 15.0 110.471 178.443 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 114' ' ' PRO . . . . . 0.929 ' HB2' ' HB ' ' A' ' 37' ' ' THR . 6.3 Cg_exo -72.13 129.48 15.18 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 122.196 1.931 . . . . 15.0 112.321 177.481 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 115' ' ' PRO . . . . . 0.475 ' HA ' ' HD2' ' B' ' 116' ' ' PRO . 53.2 Cg_exo -57.36 130.21 38.05 Favored 'Trans proline' 0 CA--C 1.53 0.306 0 C-N-CA 122.907 2.405 . . . . 15.0 113.046 173.301 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 116' ' ' PRO . . . . . 0.475 ' HD2' ' HA ' ' B' ' 115' ' ' PRO . 6.6 Cg_endo -48.92 -179.47 0.01 OUTLIER 'Trans proline' 0 N--CA 1.415 -3.137 0 C-N-CA 124.764 3.643 . . . . 15.0 114.835 167.6 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 117' ' ' TYR . . . . . 0.693 ' HB3' HG21 ' A' ' 30' ' ' ILE . 30.8 p90 -71.32 148.37 47.15 Favored 'General case' 0 C--N 1.244 -3.987 1 CA-C-N 105.997 -5.092 . . . . 15.0 110.558 -177.66 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 39.2 t -110.74 -28.18 2.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-O 121.594 0.711 . . . . 15.0 109.289 175.287 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 119' ' ' GLU . . . . . 0.458 ' HA ' ' HD3' ' B' ' 120' ' ' PRO . 1.6 mp0 -76.62 119.21 76.41 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-N 114.935 -1.029 . . . . 15.0 110.359 -179.664 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 120' ' ' PRO . . . . . 0.458 ' HD3' ' HA ' ' B' ' 119' ' ' GLU . 2.9 Cg_exo . . . . . 0 C--O 1.251 1.166 0 C-N-CA 123.128 2.552 . . . . 15.0 111.968 -179.641 . . . . . . . . 1 1 . 1 stop_ 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