data_1n4n_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 1n4n _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 12.5 m . . . . . 0 N--CA 1.455 -0.189 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 59.2 m -121.89 138.16 54.51 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.813 0.34 . . . . 0.0 111.167 -179.314 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.592 ' HD2' HD21 ' A' ' 42' ' ' LEU . 12.0 ttpp -131.11 139.47 49.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.674 -179.684 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -158.53 129.71 6.39 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 178.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.623 ' OE1' ' HG ' ' A' ' 42' ' ' LEU . 0.1 OUTLIER -69.26 141.72 54.32 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 -178.452 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.761 ' SG ' ' HB2' ' A' ' 10' ' ' TRP . 0.7 OUTLIER -46.4 122.52 6.73 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.177 0.923 . . . . 0.0 110.199 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -54.4 -45.09 43.62 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.988 2.458 . . . . 0.0 112.404 -178.359 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.9 p -89.52 44.5 1.21 Allowed 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.411 179.063 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . 0.761 ' HB2' ' SG ' ' A' ' 7' ' ' CYS . 23.5 t-105 -136.98 115.54 11.98 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-O 121.058 0.456 . . . . 0.0 111.236 -178.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -150.36 51.44 0.89 Allowed 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.905 0.86 . . . . 0.0 108.806 178.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.4 m -154.0 172.96 16.63 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.136 -0.938 . . . . 0.0 110.077 -179.049 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.468 HG12 ' HG2' ' A' ' 39' ' ' ARG . 85.7 t -78.57 122.86 34.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.133 -179.457 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.545 ' HB3' ' HG3' ' A' ' 39' ' ' ARG . 0.7 OUTLIER -74.24 128.06 34.57 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.806 -0.633 . . . . 0.0 111.025 179.372 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 62.3 mt -98.42 -35.6 5.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.457 179.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.621 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 18.6 t-20 -139.53 152.42 46.9 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.151 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.556 ' O ' HG21 ' A' ' 21' ' ' VAL . 57.6 tttm -64.34 -36.19 83.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.257 -0.429 . . . . 0.0 112.05 -178.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.625 ' HB2' ' HD3' ' A' ' 19' ' ' PRO . 55.5 mtmt -48.69 -56.82 13.08 Favored Pre-proline 0 N--CA 1.472 0.639 0 N-CA-C 112.748 0.647 . . . . 0.0 112.748 -178.826 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.625 ' HD3' ' HB2' ' A' ' 18' ' ' LYS . 91.9 Cg_exo -49.07 -45.47 29.2 Favored 'Trans proline' 0 C--N 1.358 1.058 0 C-N-CA 122.455 2.103 . . . . 0.0 112.087 179.307 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 43.5 t -63.5 -51.83 63.88 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.12 -0.945 . . . . 0.0 110.68 179.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.556 HG21 ' O ' ' A' ' 17' ' ' LYS . 46.8 t -57.14 -37.68 56.97 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.094 179.298 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.06 -48.14 82.67 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.151 178.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 23.1 t -63.02 -49.55 74.18 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-O 121.187 0.518 . . . . 0.0 110.303 179.021 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.661 ' SG ' ' HA3' ' A' ' 32' ' ' GLY . 85.3 m -56.66 -41.36 77.11 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.445 -179.269 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -63.81 -47.09 82.22 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 121.165 -0.214 . . . . 0.0 110.995 179.413 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.56 -12.33 61.31 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 120.615 -0.434 . . . . 0.0 110.832 179.444 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -95.8 -1.21 50.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.342 179.308 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 34.0 ttpt 72.52 49.46 0.2 Allowed 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.582 179.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -121.45 147.82 45.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.374 -0.83 . . . . 0.0 109.057 178.176 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.548 ' OG ' ' HA ' ' A' ' 45' ' ' LYS . 1.4 m -58.89 -47.7 84.01 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -178.393 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -164.19 151.36 11.81 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.779 0.323 . . . . 0.0 110.785 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.661 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -115.03 141.84 17.28 Favored Glycine 0 N--CA 1.446 -0.658 0 CA-C-N 115.959 -0.564 . . . . 0.0 112.342 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.513 ' CE1' HD22 ' A' ' 42' ' ' LEU . 21.1 p80 -133.35 129.88 38.05 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 121.314 0.578 . . . . 0.0 110.42 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 62.8 m -72.49 133.82 45.0 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.37 -179.279 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.937 ' HB2' HD12 ' A' ' 42' ' ' LEU . 28.6 t -70.74 162.96 28.17 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.595 -0.729 . . . . 0.0 111.063 -179.506 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 37.2 ttmt -89.36 -29.85 18.81 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.397 179.177 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.498 ' HB ' ' H ' ' A' ' 38' ' ' LEU . 8.6 mt -69.45 -100.64 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.816 -178.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.498 ' H ' ' HB ' ' A' ' 37' ' ' ILE . 21.4 tp -75.82 2.42 12.34 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-O 121.231 0.538 . . . . 0.0 111.177 -179.138 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.545 ' HG3' ' HB3' ' A' ' 14' ' ' CYS . 23.5 tpt180 63.49 29.75 15.34 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.165 -0.925 . . . . 0.0 111.43 179.115 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.441 ' NE ' HD21 ' A' ' 38' ' ' LEU . 84.3 mtt-85 -71.48 155.85 40.12 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.656 178.741 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.489 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 13.2 t -85.12 102.73 13.5 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.5 179.33 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.937 HD12 ' HB2' ' A' ' 35' ' ' SER . 10.1 mp -88.44 114.45 25.07 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 110.177 -0.305 . . . . 0.0 110.177 179.657 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.454 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 78.0 m -92.88 132.74 36.76 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 179.147 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -121.08 143.6 48.99 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.623 -179.776 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.548 ' HA ' ' OG ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -155.42 171.29 20.13 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.394 0.616 . . . . 0.0 111.379 -179.63 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.527 ' H ' ' CD ' ' A' ' 46' ' ' GLU . 0.4 OUTLIER -78.02 148.24 34.45 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 114.479 -1.237 . . . . 0.0 110.753 179.861 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 30.2 p . . . . . 0 C--O 1.244 0.81 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 179.719 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.4 m . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 52.1 m -96.07 129.97 43.22 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.429 -179.174 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.776 ' HD2' HD22 ' A' ' 42' ' ' LEU . 6.5 ttpp -114.4 135.63 53.88 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.147 179.216 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -160.29 132.65 6.29 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 179.129 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.583 ' HA ' ' O ' ' A' ' 41' ' ' CYS . 47.7 mp0 -66.72 137.68 56.85 Favored 'General case' 0 N--CA 1.443 -0.814 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 -179.686 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.411 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 31.0 t -51.56 125.59 28.28 Favored Pre-proline 0 C--N 1.322 -0.598 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.503 -178.731 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 7' ' ' CYS . 47.9 Cg_exo -56.47 -43.08 58.86 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.866 2.377 . . . . 0.0 112.406 -178.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 35.9 p -87.82 50.68 2.04 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.815 179.479 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . 0.794 ' HZ2' ' HB2' ' A' ' 14' ' ' CYS . 58.6 t-105 -135.58 115.7 13.32 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.601 -179.577 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 46.9 t0 -150.75 62.97 0.93 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.683 0.754 . . . . 0.0 109.134 179.414 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 56.4 m -158.92 161.94 36.82 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.0 -178.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 60.9 t -77.69 115.46 19.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 179.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.794 ' HB2' ' HZ2' ' A' ' 10' ' ' TRP . 15.9 t -86.55 144.53 27.17 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.613 -0.721 . . . . 0.0 112.399 -178.524 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 70.1 mt -130.76 -61.09 0.84 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.425 0 CA-C-N 115.348 -0.842 . . . . 0.0 108.934 178.384 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.45 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 16.9 t-20 -81.12 146.78 30.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.509 -0.769 . . . . 0.0 109.24 178.688 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.569 ' HD2' ' HB3' ' A' ' 34' ' ' CYS . 35.1 mmtt -77.75 -29.02 50.83 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -178.406 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.571 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 28.0 ttpp -51.27 -51.8 65.16 Favored Pre-proline 0 CA--C 1.539 0.557 0 N-CA-C 112.281 0.474 . . . . 0.0 112.281 -179.645 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.571 ' HD3' ' HB3' ' A' ' 18' ' ' LYS . 99.3 Cg_exo -49.5 -43.09 40.22 Favored 'Trans proline' 0 C--N 1.361 1.191 0 C-N-CA 122.56 2.173 . . . . 0.0 112.04 179.183 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 47.1 t -65.34 -51.8 58.12 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.232 -0.895 . . . . 0.0 111.016 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 85.6 t -53.99 -41.21 48.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.766 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.38 -44.15 95.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.978 0.418 . . . . 0.0 110.362 178.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.63 ' HA ' ' HE2' ' A' ' 26' ' ' LYS . 3.0 t -62.44 -44.15 97.11 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.874 179.114 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.764 ' SG ' ' HA3' ' A' ' 32' ' ' GLY . 74.9 m -66.04 -41.06 91.38 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.797 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.6 ' HE3' ' O ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -62.9 -46.4 87.98 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.607 -0.269 . . . . 0.0 111.283 -179.628 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.63 ' HE2' ' HA ' ' A' ' 23' ' ' CYS . 50.6 pttt -67.1 -29.15 68.82 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.197 178.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.42 ' HB1' ' CD1' ' A' ' 29' ' ' PHE . . . -78.98 4.48 14.19 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.435 179.507 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.403 ' HE3' ' HB2' ' A' ' 28' ' ' LYS . 33.2 ttmt 68.96 39.37 1.82 Allowed 'General case' 0 C--O 1.238 0.467 0 C-N-CA 123.243 0.617 . . . . 0.0 112.051 178.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.42 ' CD1' ' HB1' ' A' ' 27' ' ' ALA . 28.5 m-85 -107.31 148.49 28.95 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 177.86 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.623 ' OG ' ' HA ' ' A' ' 45' ' ' LYS . 1.6 m -55.6 -41.84 73.98 Favored 'General case' 0 C--N 1.329 -0.315 0 O-C-N 123.342 0.401 . . . . 0.0 111.057 -178.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -172.36 170.75 4.93 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 178.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.764 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -141.02 152.93 23.53 Favored Glycine 0 C--N 1.314 -0.664 0 C-N-CA 120.546 -0.835 . . . . 0.0 112.879 -178.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 22.9 p80 -135.67 128.75 31.62 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.864 0.84 . . . . 0.0 110.787 -179.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.569 ' HB3' ' HD2' ' A' ' 17' ' ' LYS . 53.6 t -69.07 126.41 29.71 Favored 'General case' 0 C--N 1.31 -1.111 0 CA-C-N 114.476 -1.238 . . . . 0.0 110.221 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.692 ' HB3' HD12 ' A' ' 42' ' ' LEU . 72.7 p -80.64 149.55 29.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.983 0.42 . . . . 0.0 111.059 -179.615 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -87.9 -27.54 22.11 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.83 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 51.9 mt -64.69 -82.59 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.903 -0.59 . . . . 0.0 112.565 -178.596 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.703 HD22 ' HD3' ' A' ' 40' ' ' ARG . 20.1 tp -93.19 3.32 55.87 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -178.133 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.62 ' HB3' ' H ' ' A' ' 14' ' ' CYS . 11.4 mpt_? 62.95 28.78 16.43 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.445 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.703 ' HD3' HD22 ' A' ' 38' ' ' LEU . 57.9 mtm180 -88.33 151.5 22.57 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 178.736 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.583 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 41.5 t -82.1 100.97 10.09 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.587 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.776 HD22 ' HD2' ' A' ' 4' ' ' LYS . 10.7 mp -86.06 113.0 21.78 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 110.266 -0.272 . . . . 0.0 110.266 179.604 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.444 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 66.3 m -97.04 141.6 29.99 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.429 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.9 p -125.75 139.32 53.62 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.247 179.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.623 ' HA ' ' OG ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -150.62 167.83 26.1 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 120.976 0.417 . . . . 0.0 110.529 -179.948 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.516 ' H ' ' CD ' ' A' ' 46' ' ' GLU . 0.4 OUTLIER -78.26 143.07 37.39 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.694 179.943 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 20.8 p . . . . . 0 C--O 1.242 0.674 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 -179.961 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.3 m . . . . . 0 N--CA 1.456 -0.17 0 N-CA-C 110.086 -0.339 . . . . 0.0 110.086 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 73.1 m -129.06 135.41 48.88 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.022 0.439 . . . . 0.0 111.598 -178.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.5 ' HD2' ' CD2' ' A' ' 42' ' ' LEU . 6.2 ttpp -139.59 138.46 36.21 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.25 179.63 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -162.39 132.42 4.62 Favored 'General case' 0 C--N 1.315 -0.896 0 N-CA-C 108.809 -0.812 . . . . 0.0 108.809 179.007 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.507 ' HG3' HD11 ' A' ' 42' ' ' LEU . 30.8 mp0 -64.45 138.38 58.38 Favored 'General case' 0 N--CA 1.443 -0.816 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 -179.812 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.407 ' HA ' ' HD2' ' A' ' 8' ' ' PRO . 31.5 t -48.52 122.09 10.2 Favored Pre-proline 0 C--N 1.322 -0.611 0 O-C-N 123.853 0.721 . . . . 0.0 110.417 -178.442 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 7' ' ' CYS . 9.5 Cg_endo -54.07 -34.92 79.77 Favored 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 123.326 2.684 . . . . 0.0 112.251 -178.816 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -98.31 47.26 0.99 Allowed 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.225 178.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . 0.479 ' HZ2' ' HA ' ' A' ' 14' ' ' CYS . 11.7 t-105 -156.99 132.68 9.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.97 -179.599 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -147.63 -20.78 0.37 Allowed 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.867 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.1 m -77.48 179.73 6.31 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.521 -0.763 . . . . 0.0 112.753 -177.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 98.2 t -79.27 132.3 32.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.058 -0.974 . . . . 0.0 111.14 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.726 ' H ' ' HB3' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -65.82 132.03 47.73 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.012 179.765 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 53.5 mt -98.53 -27.62 3.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.53 0.681 . . . . 0.0 109.637 179.311 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.577 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 18.3 t-20 -166.99 161.5 15.0 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.46 -0.791 . . . . 0.0 108.959 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 54.7 tttm -63.7 -37.37 87.1 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 111.551 0.204 . . . . 0.0 111.551 -178.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.604 ' HB2' ' HD3' ' A' ' 19' ' ' PRO . 38.6 mtmm -51.15 -57.39 14.1 Favored Pre-proline 0 N--CA 1.471 0.584 0 CA-C-O 119.257 -0.401 . . . . 0.0 112.027 -179.48 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.604 ' HD3' ' HB2' ' A' ' 18' ' ' LYS . 90.2 Cg_exo -48.53 -43.91 31.83 Favored 'Trans proline' 0 C--N 1.359 1.103 0 C-N-CA 122.452 2.101 . . . . 0.0 112.023 178.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 48.9 t -64.36 -50.81 66.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.796 179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.576 ' O ' ' HG2' ' A' ' 25' ' ' LYS . 70.8 t -55.82 -45.0 79.48 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.22 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.589 179.539 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.89 -44.05 91.1 Favored 'General case' 0 C--O 1.24 0.594 0 CA-C-O 121.173 0.511 . . . . 0.0 110.293 179.182 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 4.8 t -60.0 -46.97 87.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.151 178.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.62 ' SG ' ' HA3' ' A' ' 32' ' ' GLY . 78.1 m -66.21 -32.03 73.22 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.098 -0.955 . . . . 0.0 111.514 179.544 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.701 ' HE2' ' HA ' ' A' ' 25' ' ' LYS . 8.7 mmpt? -61.82 -52.06 65.73 Favored 'General case' 0 CA--C 1.518 -0.26 0 N-CA-C 110.182 -0.303 . . . . 0.0 110.182 179.778 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 24.1 pttm -68.96 -25.95 64.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.485 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -78.27 -3.26 41.96 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.925 178.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.42 ' HE3' ' HB2' ' A' ' 28' ' ' LYS . 33.0 ttmt 68.5 56.04 0.48 Allowed 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.639 179.419 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.706 ' HA ' ' HD3' ' A' ' 45' ' ' LYS . 34.1 m-85 -125.05 154.33 41.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.46 178.812 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.707 ' H ' ' HB3' ' A' ' 45' ' ' LYS . 19.9 m -62.84 -50.73 69.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.477 0.18 . . . . 0.0 111.354 -179.218 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -160.71 149.85 16.98 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.532 -0.303 . . . . 0.0 110.57 179.587 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.62 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -114.03 144.23 18.18 Favored Glycine 0 N--CA 1.445 -0.71 0 C-N-CA 121.057 -0.592 . . . . 0.0 112.015 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 24.0 p80 -136.26 129.27 31.27 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 121.316 0.579 . . . . 0.0 110.727 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 37.5 m -70.2 128.83 37.63 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.405 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.803 ' HB3' HD12 ' A' ' 42' ' ' LEU . 24.1 p -75.5 163.07 27.76 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.857 0.36 . . . . 0.0 110.786 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 39.8 ttpt -89.23 -34.74 16.53 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.011 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 69.6 mt -53.08 -56.94 5.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 112.937 0.717 . . . . 0.0 112.937 -178.509 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.414 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 19.7 tp -138.08 19.5 2.8 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.506 0.669 . . . . 0.0 110.902 -179.027 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.726 ' HB3' ' H ' ' A' ' 14' ' ' CYS . 0.6 OUTLIER 55.62 28.5 12.08 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 114.949 -1.023 . . . . 0.0 112.214 -179.922 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 75.3 mtt-85 -71.37 143.84 50.07 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 178.159 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.481 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 43.5 t -76.76 96.49 4.25 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.372 -179.216 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.803 HD12 ' HB3' ' A' ' 35' ' ' SER . 10.8 mp -84.4 114.97 22.28 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 179.117 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.44 ' HB3' ' CG ' ' A' ' 29' ' ' PHE . 81.7 m -92.81 133.59 35.9 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 179.361 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -123.78 140.23 53.19 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.279 0.562 . . . . 0.0 111.954 -179.065 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.707 ' HB3' ' H ' ' A' ' 30' ' ' SER . 61.3 pttt -161.52 -156.23 0.43 Allowed 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.118 -0.946 . . . . 0.0 108.675 178.706 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -129.46 143.48 50.85 Favored 'General case' 0 N--CA 1.444 -0.742 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 178.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 15.6 p . . . . . 0 C--O 1.245 0.851 0 CA-C-O 118.849 -0.596 . . . . 0.0 109.817 -179.215 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 17.9 m . . . . . 0 N--CA 1.453 -0.32 0 CA-C-O 121.093 0.473 . . . . 0.0 110.103 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 64.7 m -95.27 139.41 31.62 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.814 -179.261 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.507 ' HA ' ' O ' ' A' ' 43' ' ' CYS . 31.5 ttmt -132.6 132.19 42.24 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.5 -179.18 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -167.08 145.2 4.92 Favored 'General case' 0 C--N 1.322 -0.619 0 O-C-N 123.756 0.66 . . . . 0.0 109.226 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.459 ' HA ' ' O ' ' A' ' 41' ' ' CYS . 2.3 mp0 -64.08 146.4 54.25 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 -179.817 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 31.6 t -59.65 126.62 83.29 Favored Pre-proline 0 C--N 1.321 -0.669 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.062 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -54.17 -38.6 87.85 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 123.061 2.507 . . . . 0.0 112.229 -179.18 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 22.7 p -97.36 44.1 1.06 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.098 179.621 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . 0.606 ' HH2' ' HB2' ' A' ' 19' ' ' PRO . 25.1 t-105 -146.41 116.36 7.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.008 0.432 . . . . 0.0 111.451 -179.576 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -151.11 67.76 0.92 Allowed 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.912 0.863 . . . . 0.0 108.753 177.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 48.8 m -156.78 168.98 25.81 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 114.988 -1.005 . . . . 0.0 109.607 -178.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 58.0 t -77.92 126.07 37.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.08 0.467 . . . . 0.0 110.714 -179.627 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -74.42 133.39 42.42 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.78 -179.696 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 47.5 mm -100.71 -38.29 6.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.435 178.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.701 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 20.3 t-20 -144.67 160.72 40.74 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 179.128 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.576 ' HE3' ' CG2' ' A' ' 21' ' ' VAL . 8.5 ttpt -72.73 -30.18 63.96 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.44 0.533 . . . . 0.0 112.44 -178.588 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.725 ' CG ' ' HD3' ' A' ' 19' ' ' PRO . 14.4 ptmm? -53.19 -45.73 98.16 Favored Pre-proline 0 CA--C 1.548 0.869 0 N-CA-C 113.385 0.883 . . . . 0.0 113.385 -178.408 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.725 ' HD3' ' CG ' ' A' ' 18' ' ' LYS . 49.4 Cg_exo -58.96 -40.62 69.71 Favored 'Trans proline' 0 C--N 1.362 1.253 0 C-N-CA 121.746 1.631 . . . . 0.0 111.071 178.53 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.3 t -62.25 -48.65 79.02 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 114.942 -1.026 . . . . 0.0 109.974 179.371 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.576 ' CG2' ' HE3' ' A' ' 17' ' ' LYS . 61.1 t -57.58 -38.03 61.77 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.148 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.885 179.13 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.502 ' O ' ' HG2' ' A' ' 26' ' ' LYS . . . -63.04 -48.58 78.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.217 179.382 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.572 ' O ' ' HG3' ' A' ' 26' ' ' LYS . 5.9 t -60.29 -45.58 92.87 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 121.551 0.691 . . . . 0.0 109.538 178.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.547 ' SG ' ' HA3' ' A' ' 32' ' ' GLY . 71.8 m -64.88 -38.4 90.83 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.222 -0.899 . . . . 0.0 111.659 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -63.81 -46.52 84.75 Favored 'General case' 0 C--N 1.329 -0.319 0 O-C-N 122.477 -0.14 . . . . 0.0 111.059 -179.301 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.572 ' HG3' ' O ' ' A' ' 23' ' ' CYS . 10.4 ptmt -66.92 -27.83 67.81 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 120.816 0.341 . . . . 0.0 110.267 178.731 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -84.58 10.42 11.1 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-O 121.039 0.447 . . . . 0.0 110.674 179.059 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 29.3 tptt 64.29 61.96 0.86 Allowed 'General case' 0 CA--C 1.537 0.46 0 CA-C-O 122.172 0.987 . . . . 0.0 111.533 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.709 ' HA ' ' HB3' ' A' ' 45' ' ' LYS . 70.3 m-85 -132.39 147.56 52.39 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 177.747 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.443 ' OG ' ' HA ' ' A' ' 45' ' ' LYS . 4.3 m -64.45 -48.75 74.11 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 111.971 0.36 . . . . 0.0 111.971 -178.31 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -160.48 139.54 10.57 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.473 -178.611 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.547 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -105.62 141.74 15.43 Favored Glycine 0 N--CA 1.447 -0.628 0 CA-C-N 115.587 -0.733 . . . . 0.0 112.363 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 19.8 p-80 -125.61 131.26 52.72 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 120.933 0.397 . . . . 0.0 110.504 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 87.1 m -67.07 139.43 57.57 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.35 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.783 ' O ' ' HA ' ' A' ' 39' ' ' ARG . 34.6 t -72.69 148.74 44.45 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.487 179.372 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -89.46 -38.4 14.08 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.756 0.312 . . . . 0.0 110.961 -179.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 48.9 mt -67.62 -72.19 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.022 -0.535 . . . . 0.0 112.376 -178.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 18.1 tp -86.96 -9.85 54.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.153 0.501 . . . . 0.0 110.947 -178.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.783 ' HA ' ' O ' ' A' ' 35' ' ' SER . 10.8 tpt180 64.82 33.34 10.25 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.144 -0.934 . . . . 0.0 111.558 179.756 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.543 ' H ' ' HB3' ' A' ' 35' ' ' SER . 57.8 mtm180 -83.79 -145.54 0.08 Allowed 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.205 178.123 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.459 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 8.9 t -137.71 114.33 10.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.828 0.347 . . . . 0.0 111.202 -179.795 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.421 HD13 ' HB2' ' A' ' 35' ' ' SER . 10.2 mp -101.41 125.15 48.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.733 179.281 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.507 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 59.4 m -99.75 137.49 38.15 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-O 120.821 0.343 . . . . 0.0 111.825 -178.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -123.34 143.58 50.0 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.008 178.835 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.709 ' HB3' ' HA ' ' A' ' 29' ' ' PHE . 1.0 OUTLIER -160.61 178.32 9.62 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.618 0.723 . . . . 0.0 112.023 -179.888 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.461 ' OE1' ' HB2' ' A' ' 45' ' ' LYS . 5.0 pm0 -79.28 140.64 37.54 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 113.962 -1.472 . . . . 0.0 111.263 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 31.5 p . . . . . 0 C--O 1.242 0.684 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 178.927 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 16.9 m . . . . . 0 N--CA 1.454 -0.245 0 N-CA-C 110.275 -0.269 . . . . 0.0 110.275 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 16.8 m -103.88 132.83 49.75 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.583 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.563 ' HD2' ' N ' ' A' ' 5' ' ' ALA . 0.4 OUTLIER -133.29 132.31 41.23 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 -179.694 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.563 ' N ' ' HD2' ' A' ' 4' ' ' LYS . . . -161.57 135.75 6.88 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 179.187 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.476 ' HG3' HD13 ' A' ' 42' ' ' LEU . 8.9 mp0 -69.07 145.43 53.46 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 -179.821 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.766 ' SG ' ' HB2' ' A' ' 10' ' ' TRP . 0.5 OUTLIER -48.6 124.24 11.93 Favored Pre-proline 0 C--N 1.322 -0.622 0 O-C-N 123.841 0.713 . . . . 0.0 110.336 179.674 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_endo -55.35 -43.89 54.09 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.908 2.405 . . . . 0.0 111.962 -178.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.1 p -91.97 48.56 1.44 Allowed 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.225 178.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . 0.766 ' HB2' ' SG ' ' A' ' 7' ' ' CYS . 17.5 t-105 -137.69 116.74 12.49 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 121.308 0.575 . . . . 0.0 111.569 -178.837 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 47.9 p-10 -132.03 -4.18 3.54 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.134 179.497 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.6 t -100.6 -169.21 1.68 Allowed 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.79 -178.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 86.5 t -88.47 128.4 40.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.338 -0.846 . . . . 0.0 111.495 -179.464 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.46 ' HA ' ' HZ2' ' A' ' 10' ' ' TRP . 35.5 t -81.63 103.22 11.19 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 178.867 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 62.8 mt -98.4 -53.83 7.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-O 120.876 0.37 . . . . 0.0 110.705 -178.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.528 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 14.7 t-20 -101.7 144.74 30.03 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.075 179.795 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.527 ' HG2' HG22 ' A' ' 21' ' ' VAL . 64.6 tttp -67.14 -33.6 75.79 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.809 -179.538 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.681 ' HB2' ' HD3' ' A' ' 19' ' ' PRO . 35.1 mmtp -52.52 -57.33 16.1 Favored Pre-proline 0 CA--C 1.539 0.525 0 N-CA-C 112.429 0.529 . . . . 0.0 112.429 -179.234 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.681 ' HD3' ' HB2' ' A' ' 18' ' ' LYS . 82.7 Cg_exo -51.32 -44.15 44.93 Favored 'Trans proline' 0 C--N 1.357 0.992 0 C-N-CA 122.533 2.156 . . . . 0.0 112.296 179.505 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 37.0 t -63.96 -52.41 59.79 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.711 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.527 HG22 ' HG2' ' A' ' 17' ' ' LYS . 92.7 t -57.52 -37.02 55.87 Favored 'Isoleucine or valine' 0 C--O 1.232 0.184 0 CA-C-O 120.809 0.338 . . . . 0.0 110.457 179.28 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.02 -44.73 96.98 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.156 178.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.626 ' O ' ' HG3' ' A' ' 26' ' ' LYS . 14.1 t -67.95 -43.96 77.9 Favored 'General case' 0 CA--C 1.514 -0.419 0 CA-C-O 121.469 0.652 . . . . 0.0 110.285 178.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.485 ' SG ' ' HA3' ' A' ' 32' ' ' GLY . 75.2 m -59.64 -44.29 93.56 Favored 'General case' 0 C--N 1.311 -1.07 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.415 -179.164 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 17.9 ptpt -66.52 -38.39 87.09 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.52 -0.472 . . . . 0.0 111.287 179.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.626 ' HG3' ' O ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -69.2 -22.19 63.9 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 120.336 -0.546 . . . . 0.0 110.285 178.937 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -96.79 9.65 41.15 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 121.183 0.516 . . . . 0.0 110.547 179.092 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 78.1 tttt 64.68 54.26 1.43 Allowed 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 115.302 -0.863 . . . . 0.0 112.345 179.294 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.702 ' HA ' ' HD3' ' A' ' 45' ' ' LYS . 35.3 m-85 -122.23 146.74 46.98 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 177.716 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.627 ' H ' ' HB3' ' A' ' 45' ' ' LYS . 6.3 m -63.95 -45.7 88.01 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 112.977 0.732 . . . . 0.0 112.977 -178.054 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.491 ' CG ' ' HZ3' ' A' ' 17' ' ' LYS . 31.9 t70 -154.82 153.42 31.14 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.893 0.377 . . . . 0.0 111.854 -179.241 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.485 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -119.63 142.04 16.05 Favored Glycine 0 N--CA 1.447 -0.621 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.862 179.382 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 30.8 p80 -144.86 137.42 26.29 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.031 0.443 . . . . 0.0 111.277 -179.283 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 27.3 m -69.91 137.07 51.28 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.826 179.317 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.912 ' HB3' HD11 ' A' ' 42' ' ' LEU . 13.0 p -82.38 171.26 14.39 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.973 0.416 . . . . 0.0 111.292 -179.713 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -89.36 -31.32 17.83 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.43 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.429 ' HB ' ' H ' ' A' ' 38' ' ' LEU . 3.5 mt -67.72 -105.88 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 CA-C-O 121.25 0.548 . . . . 0.0 112.172 -178.347 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.429 ' H ' ' HB ' ' A' ' 37' ' ' ILE . 22.8 tp -73.0 4.03 4.71 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.223 -179.033 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.503 ' HD2' ' O ' ' A' ' 35' ' ' SER . 20.6 tpt180 62.37 32.64 16.82 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.191 -0.913 . . . . 0.0 110.695 179.818 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 68.9 mtt-85 -75.59 153.63 37.22 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.719 178.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.474 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 3.8 t -78.25 107.53 10.91 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 178.578 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.912 HD11 ' HB3' ' A' ' 35' ' ' SER . 9.8 mp -94.42 121.16 35.67 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.651 -0.249 . . . . 0.0 110.991 -179.824 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 72.7 m -96.13 134.42 39.22 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 178.345 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -129.02 141.72 51.14 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 120.967 0.413 . . . . 0.0 111.614 -178.781 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.702 ' HD3' ' HA ' ' A' ' 29' ' ' PHE . 59.9 pttt -160.72 157.26 26.67 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.715 179.459 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.6 pm0 -77.62 146.49 36.13 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-O 121.015 0.436 . . . . 0.0 110.555 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 28.1 p . . . . . 0 C--O 1.252 1.218 0 CA-C-O 117.581 -1.199 . . . . 0.0 109.212 -179.638 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 11.4 m . . . . . 0 N--CA 1.455 -0.222 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.431 ' O ' ' HA ' ' A' ' 44' ' ' THR . 34.6 m -116.87 132.97 56.56 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.019 0.438 . . . . 0.0 111.784 -178.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.545 ' HD2' ' N ' ' A' ' 5' ' ' ALA . 0.4 OUTLIER -113.29 128.35 56.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.518 -0.764 . . . . 0.0 109.607 179.611 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.545 ' N ' ' HD2' ' A' ' 4' ' ' LYS . . . -158.49 125.98 5.04 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 178.628 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.463 ' HG2' ' CD ' ' A' ' 40' ' ' ARG . 52.2 mp0 -63.25 143.44 57.79 Favored 'General case' 0 N--CA 1.446 -0.632 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 -179.656 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 35.8 t -51.89 128.08 36.35 Favored Pre-proline 0 C--N 1.324 -0.543 0 O-C-N 123.545 0.528 . . . . 0.0 110.54 -178.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_exo -52.47 -42.56 60.57 Favored 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 123.025 2.483 . . . . 0.0 112.413 -178.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 40.6 p -92.09 49.74 1.57 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.135 179.014 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 7.5 t-105 -154.28 135.98 14.41 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.478 -179.259 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -150.11 -29.84 0.22 Allowed 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.464 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 18.3 m -71.99 174.28 7.25 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.202 -0.908 . . . . 0.0 113.061 -177.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.444 HG12 ' HB3' ' A' ' 39' ' ' ARG . 69.0 t -78.1 130.23 36.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 114.868 -1.06 . . . . 0.0 110.91 -179.775 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -84.86 135.58 34.02 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.602 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.6 mp -99.82 -50.94 10.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.058 178.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.627 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 27.3 t30 -122.44 151.2 41.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.112 -179.452 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.455 ' HZ2' ' CG ' ' A' ' 31' ' ' ASP . 63.0 tttp -63.21 -33.91 76.52 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 -178.813 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.548 ' HB2' ' HD3' ' A' ' 19' ' ' PRO . 42.5 mmtm -50.52 -57.73 12.23 Favored Pre-proline 0 N--CA 1.474 0.732 0 N-CA-C 112.44 0.533 . . . . 0.0 112.44 -179.035 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.627 ' HD2' ' O ' ' A' ' 16' ' ' ASN . 85.8 Cg_exo -51.14 -42.3 53.95 Favored 'Trans proline' 0 C--N 1.358 1.026 0 C-N-CA 122.421 2.081 . . . . 0.0 112.136 179.225 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.7 t -62.81 -52.24 63.92 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.786 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.44 HG21 ' HG2' ' A' ' 17' ' ' LYS . 90.3 t -56.45 -41.43 72.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.836 179.619 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.46 -44.88 95.42 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 120.99 0.424 . . . . 0.0 110.539 179.327 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.616 ' HA ' ' HE2' ' A' ' 26' ' ' LYS . 2.9 t -63.44 -44.86 93.31 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 121.555 0.693 . . . . 0.0 109.791 179.16 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.461 ' SG ' ' HA3' ' A' ' 32' ' ' GLY . 79.0 m -65.44 -39.76 92.45 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.751 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.488 ' HD3' ' HA ' ' A' ' 25' ' ' LYS . 24.3 mmtp -64.92 -44.14 90.48 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 111.523 0.194 . . . . 0.0 111.523 -179.603 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.616 ' HE2' ' HA ' ' A' ' 23' ' ' CYS . 62.0 pttt -66.38 -31.43 72.19 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.605 -0.438 . . . . 0.0 110.173 179.213 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.455 ' HB3' ' CE1' ' A' ' 29' ' ' PHE . . . -84.94 4.79 31.9 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-O 120.899 0.381 . . . . 0.0 111.234 179.477 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.493 ' O ' ' HD3' ' A' ' 45' ' ' LYS . 7.8 tmtt? 66.55 70.84 0.4 Allowed 'General case' 0 C--O 1.233 0.201 0 C-N-CA 123.533 0.733 . . . . 0.0 111.386 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.561 ' HA ' ' HB3' ' A' ' 45' ' ' LYS . 60.2 m-85 -134.33 146.12 49.67 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.313 -0.858 . . . . 0.0 108.716 177.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.499 ' OG ' ' HA ' ' A' ' 45' ' ' LYS . 8.7 m -59.53 -46.49 88.7 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 111.841 0.312 . . . . 0.0 111.841 -178.577 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.455 ' CG ' ' HZ2' ' A' ' 17' ' ' LYS . 28.6 t70 -159.76 149.09 17.98 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.9 0.381 . . . . 0.0 110.874 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.461 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -108.38 134.14 12.06 Favored Glycine 0 N--CA 1.442 -0.909 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.927 179.596 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 18.4 p80 -134.42 125.49 27.61 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 121.692 0.758 . . . . 0.0 110.758 179.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 52.8 m -74.11 138.19 43.76 Favored 'General case' 0 C--N 1.307 -1.28 0 CA-C-N 115.093 -0.958 . . . . 0.0 109.982 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.781 ' HB3' HD12 ' A' ' 42' ' ' LEU . 6.4 p -74.18 -159.54 0.08 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.086 0.47 . . . . 0.0 111.779 -178.7 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.436 ' H ' ' HB2' ' A' ' 35' ' ' SER . 41.3 ttmt -125.3 -46.6 1.77 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.476 -179.558 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.7 mp -66.52 -69.76 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 120.734 0.302 . . . . 0.0 111.02 -179.017 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.61 HD21 ' HD3' ' A' ' 40' ' ' ARG . 16.3 tp -81.21 -19.67 42.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.432 0.634 . . . . 0.0 109.327 179.435 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.444 ' HB3' HG12 ' A' ' 13' ' ' VAL . 28.8 tpt180 62.34 23.6 13.99 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 114.715 -1.13 . . . . 0.0 111.443 179.214 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.61 ' HD3' HD21 ' A' ' 38' ' ' LEU . 37.8 ptt180 -82.29 161.91 22.47 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 178.29 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 35.8 t -76.57 107.17 8.66 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 112.916 0.709 . . . . 0.0 112.916 -178.423 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.781 HD12 ' HB3' ' A' ' 35' ' ' SER . 11.2 mp -92.01 123.96 35.75 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 177.672 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.453 ' HB3' ' CG ' ' A' ' 29' ' ' PHE . 70.9 m -102.54 136.55 42.17 Favored 'General case' 0 C--N 1.317 -0.837 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.618 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.431 ' HA ' ' O ' ' A' ' 3' ' ' CYS . 0.7 OUTLIER -122.31 141.04 51.95 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.126 179.414 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.561 ' HB3' ' HA ' ' A' ' 29' ' ' PHE . 50.7 pttt -154.55 -178.87 7.47 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.219 0.533 . . . . 0.0 111.75 -179.646 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.4 ' OE1' ' HB2' ' A' ' 45' ' ' LYS . 2.1 pm0 -79.54 148.85 31.63 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-N 114.612 -1.176 . . . . 0.0 111.286 -179.574 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 31.6 p . . . . . 0 C--O 1.245 0.828 0 CA-C-N 115.125 -0.943 . . . . 0.0 108.758 179.273 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.1 m . . . . . 0 N--CA 1.454 -0.251 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 28.0 m -114.8 137.81 51.5 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.818 0.342 . . . . 0.0 111.084 -179.49 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.541 ' HD2' ' N ' ' A' ' 5' ' ' ALA . 0.4 OUTLIER -133.33 129.54 37.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.75 -179.488 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.541 ' N ' ' HD2' ' A' ' 4' ' ' LYS . . . -159.72 135.37 8.46 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.16 -0.682 . . . . 0.0 109.16 178.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.646 ' OE2' ' HG ' ' A' ' 42' ' ' LEU . 8.5 mp0 -65.01 138.62 58.47 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 -179.742 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.412 ' HB3' ' HB2' ' A' ' 10' ' ' TRP . 40.3 t -52.4 126.3 37.53 Favored Pre-proline 0 C--N 1.321 -0.641 0 O-C-N 123.497 0.498 . . . . 0.0 110.577 -178.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -54.43 -42.5 67.34 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 123.032 2.488 . . . . 0.0 112.279 -179.218 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 23.9 p -90.63 46.02 1.3 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.636 179.222 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . 0.412 ' HB2' ' HB3' ' A' ' 7' ' ' CYS . 35.9 t-105 -144.83 119.29 9.65 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.558 -179.578 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -150.34 53.07 0.9 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.779 0.8 . . . . 0.0 109.108 179.364 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.0 p -152.17 171.37 18.02 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.366 -0.833 . . . . 0.0 110.731 -178.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 58.2 t -78.6 132.2 32.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.314 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.828 ' HB2' ' HG3' ' A' ' 39' ' ' ARG . 1.2 m -63.14 130.71 45.81 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.897 -0.592 . . . . 0.0 112.12 -179.702 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 45.2 mm -99.37 -27.67 3.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.602 -0.727 . . . . 0.0 109.213 178.601 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.596 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 20.2 t-20 -166.8 162.1 15.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.227 -0.897 . . . . 0.0 108.857 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.438 ' O ' HG23 ' A' ' 21' ' ' VAL . 55.9 tttm -67.5 -34.11 76.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.285 0.088 . . . . 0.0 110.905 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.561 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 0.1 OUTLIER -51.64 -56.7 18.75 Favored Pre-proline 0 CA--C 1.54 0.576 0 CA-C-N 116.592 -0.276 . . . . 0.0 111.284 -179.493 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.596 ' HD2' ' O ' ' A' ' 16' ' ' ASN . 80.1 Cg_exo -50.96 -44.49 41.68 Favored 'Trans proline' 0 C--N 1.36 1.133 0 C-N-CA 122.495 2.13 . . . . 0.0 111.834 178.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 51.3 t -62.05 -51.73 66.82 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.848 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.438 HG23 ' O ' ' A' ' 17' ' ' LYS . 98.9 t -57.16 -39.63 68.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.68 179.496 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.57 -44.16 97.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.91 0.385 . . . . 0.0 110.486 179.168 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.553 ' O ' ' HG3' ' A' ' 26' ' ' LYS . 4.9 t -63.26 -44.73 94.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.585 0.707 . . . . 0.0 109.394 178.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.593 ' SG ' ' HA3' ' A' ' 32' ' ' GLY . 71.6 m -64.9 -37.35 87.35 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.382 179.744 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.444 ' HD3' ' HA ' ' A' ' 25' ' ' LYS . 18.6 mmtp -65.03 -43.61 91.84 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 121.258 -0.177 . . . . 0.0 111.207 179.697 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.553 ' HG3' ' O ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -68.71 -25.68 64.89 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 178.686 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -84.05 -1.9 55.69 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.925 179.241 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 34.9 ttmt 72.39 45.71 0.34 Allowed 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 123.5 0.72 . . . . 0.0 111.925 179.303 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -115.13 147.79 39.79 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.843 -0.428 . . . . 0.0 109.843 178.462 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.512 ' OG ' ' HA ' ' A' ' 45' ' ' LYS . 1.7 m -57.47 -47.68 81.21 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.388 0.514 . . . . 0.0 112.388 -178.326 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -164.16 144.91 8.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.924 0.392 . . . . 0.0 110.987 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.593 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -107.98 141.16 15.69 Favored Glycine 0 N--CA 1.445 -0.738 0 CA-C-N 115.866 -0.607 . . . . 0.0 112.934 -179.519 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 43.5 p-80 -133.59 131.36 39.57 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.05 0.453 . . . . 0.0 110.153 179.164 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 67.3 m -74.52 140.83 44.77 Favored 'General case' 0 C--N 1.311 -1.089 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.71 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.751 ' HB3' HD11 ' A' ' 42' ' ' LEU . 12.1 p -77.97 -165.12 0.6 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.017 0.437 . . . . 0.0 111.599 -179.248 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.475 ' HA ' ' NH1' ' A' ' 39' ' ' ARG . 23.8 pttm -117.1 -19.06 9.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.745 -179.749 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 16.6 mt -77.99 -100.74 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.804 0.335 . . . . 0.0 110.512 -179.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.406 HD11 ' HA ' ' A' ' 38' ' ' LEU . 26.8 tp -73.44 -2.76 23.76 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.339 0.59 . . . . 0.0 110.367 179.532 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.828 ' HG3' ' HB2' ' A' ' 14' ' ' CYS . 12.9 tpp180 67.27 32.16 6.15 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 114.845 -1.07 . . . . 0.0 110.51 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 82.6 mtt-85 -69.12 152.47 45.12 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.208 178.475 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.409 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 24.9 t -82.19 104.55 12.6 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.787 179.607 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.751 HD11 ' HB3' ' A' ' 35' ' ' SER . 10.8 mp -86.94 117.39 25.63 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 179.158 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 76.6 m -94.51 131.62 40.04 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-O 120.966 0.412 . . . . 0.0 110.573 179.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -115.16 144.55 43.51 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.833 179.252 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.512 ' HA ' ' OG ' ' A' ' 30' ' ' SER . 10.5 ptmm? -157.3 165.01 37.0 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 120.971 0.415 . . . . 0.0 110.589 -179.712 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.499 ' H ' ' CD ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -79.56 145.62 33.04 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.524 179.372 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 28.6 p . . . . . 0 C--O 1.251 1.173 0 CA-C-O 117.395 -1.288 . . . . 0.0 109.048 179.995 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.5 m . . . . . 0 N--CA 1.455 -0.211 0 N-CA-C 110.206 -0.294 . . . . 0.0 110.206 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 33.5 m -114.77 138.73 50.39 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.788 0.327 . . . . 0.0 110.642 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.546 ' HB2' HG23 ' A' ' 44' ' ' THR . 13.9 ttpp -150.91 121.11 7.24 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.161 -179.117 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -160.48 152.45 20.11 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.232 179.377 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.607 ' HA ' ' O ' ' A' ' 41' ' ' CYS . 24.3 mt-10 -65.45 141.8 58.39 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.81 0.338 . . . . 0.0 110.809 -179.452 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 44.4 t -52.74 126.05 39.85 Favored Pre-proline 0 C--N 1.326 -0.452 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.939 -179.008 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_exo -57.26 -41.71 70.45 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.919 2.413 . . . . 0.0 112.369 -179.344 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 38.8 p -90.99 43.71 1.16 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.032 179.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . 0.532 ' HB2' ' SG ' ' A' ' 23' ' ' CYS . 23.2 t-105 -146.35 123.73 11.65 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.51 -179.716 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.578 ' HA ' ' HD2' ' A' ' 40' ' ' ARG . 11.5 t70 -151.2 59.85 0.9 Allowed 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.722 0.773 . . . . 0.0 108.99 178.822 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 22.5 t -146.66 170.61 16.58 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.171 -0.922 . . . . 0.0 109.466 -179.09 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 57.5 t -77.97 127.67 38.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 121.104 0.478 . . . . 0.0 110.972 -179.53 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.508 ' HB2' ' O ' ' A' ' 40' ' ' ARG . 3.8 t -66.8 119.83 12.52 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.787 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 48.4 mm -99.17 -34.37 4.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.203 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.538 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 5.7 t-20 -159.34 165.99 32.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.837 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 55.9 tttm -64.0 -41.86 97.35 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 -178.494 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.749 ' HG3' ' HD3' ' A' ' 19' ' ' PRO . 1.2 pttm -49.57 -55.33 23.3 Favored Pre-proline 0 N--CA 1.475 0.804 0 N-CA-C 113.539 0.94 . . . . 0.0 113.539 -178.293 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.749 ' HD3' ' HG3' ' A' ' 18' ' ' LYS . 57.9 Cg_exo -54.3 -44.79 46.15 Favored 'Trans proline' 0 C--N 1.356 0.953 0 C-N-CA 121.795 1.663 . . . . 0.0 111.78 179.595 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 41.5 t -61.56 -47.5 85.26 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.262 -0.881 . . . . 0.0 109.913 179.139 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.496 ' O ' ' HG2' ' A' ' 25' ' ' LYS . 71.5 t -56.66 -43.43 78.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.68 178.716 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.39 -45.46 84.5 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.741 179.591 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.532 ' SG ' ' HB2' ' A' ' 10' ' ' TRP . 4.5 t -63.8 -44.49 93.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.442 0.639 . . . . 0.0 109.808 179.055 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.705 ' SG ' ' HA3' ' A' ' 32' ' ' GLY . 70.3 m -63.69 -37.49 87.55 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.617 -0.719 . . . . 0.0 111.439 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.496 ' HG2' ' O ' ' A' ' 21' ' ' VAL . 0.5 OUTLIER -65.77 -45.43 82.55 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 121.277 -0.169 . . . . 0.0 111.104 179.925 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.523 ' HG3' ' O ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -67.31 -26.36 66.48 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 120.65 -0.42 . . . . 0.0 110.445 179.34 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -81.23 -1.48 45.05 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.883 179.462 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 29.0 ttmt 71.07 43.67 0.64 Allowed 'General case' 0 C--O 1.236 0.369 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.598 179.367 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -109.07 150.21 28.15 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 178.109 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.491 ' OG ' ' HA ' ' A' ' 45' ' ' LYS . 9.4 p -60.04 -43.33 95.43 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 120.709 0.29 . . . . 0.0 111.127 -179.168 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -169.55 159.25 8.29 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.686 178.479 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.705 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -121.42 157.65 16.26 Favored Glycine 0 N--CA 1.446 -0.654 0 CA-C-N 115.844 -0.616 . . . . 0.0 112.245 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 32.7 p80 -139.26 145.33 39.06 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.973 0.416 . . . . 0.0 110.692 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 8.2 t -59.29 143.78 48.31 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.17 179.586 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.729 ' HB3' HD12 ' A' ' 42' ' ' LEU . 2.7 p -99.19 -157.27 0.59 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.775 0.321 . . . . 0.0 111.144 -179.746 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.421 ' H ' ' HB2' ' A' ' 35' ' ' SER . 39.9 ttpt -150.32 -39.47 0.14 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.366 -179.778 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 27.6 mt -55.34 -76.93 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 CA-C-O 120.941 0.401 . . . . 0.0 111.034 -179.227 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.519 HD23 ' HD3' ' A' ' 40' ' ' ARG . 15.8 tp -91.44 -11.81 36.54 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 178.846 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.4 ' HA ' ' HD2' ' A' ' 39' ' ' ARG . 10.6 tpt180 64.08 35.53 10.38 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 113.886 -1.506 . . . . 0.0 111.229 179.428 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.578 ' HD2' ' HA ' ' A' ' 11' ' ' ASP . 69.3 mtm180 -87.46 -91.22 0.11 Allowed 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.535 -0.466 . . . . 0.0 111.131 178.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.607 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 4.0 t -176.23 106.76 0.07 Allowed 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 111.863 0.32 . . . . 0.0 111.863 -179.156 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.729 HD12 ' HB3' ' A' ' 35' ' ' SER . 5.6 mp -87.39 121.39 29.77 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 120.709 0.29 . . . . 0.0 110.951 178.369 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.487 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 67.8 m -98.9 140.55 32.9 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.238 178.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.546 HG23 ' HB2' ' A' ' 4' ' ' LYS . 1.2 p -118.27 143.9 46.22 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.017 179.608 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.491 ' HA ' ' OG ' ' A' ' 30' ' ' SER . 17.7 ptmt -160.92 166.77 27.86 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.118 0.485 . . . . 0.0 111.328 -179.74 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -79.46 150.79 31.14 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.008 -0.996 . . . . 0.0 110.324 178.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 29.4 p . . . . . 0 C--O 1.252 1.202 0 CA-C-O 117.469 -1.253 . . . . 0.0 109.016 179.631 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 5.8 m . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.435 ' O ' ' HA ' ' A' ' 44' ' ' THR . 64.5 m -116.84 134.59 54.59 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 112.497 0.554 . . . . 0.0 112.497 -177.678 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.528 ' HD2' ' N ' ' A' ' 5' ' ' ALA . 0.5 OUTLIER -130.09 128.94 42.9 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.576 179.792 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.528 ' N ' ' HD2' ' A' ' 4' ' ' LYS . . . -158.76 128.45 5.71 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 178.836 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.413 ' HA ' ' O ' ' A' ' 41' ' ' CYS . 41.8 mp0 -64.24 140.35 58.86 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 -179.831 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 49.5 t -51.31 125.11 24.9 Favored Pre-proline 0 C--N 1.322 -0.616 0 O-C-N 123.665 0.603 . . . . 0.0 110.448 -179.053 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -53.88 -41.6 73.43 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.914 2.409 . . . . 0.0 112.11 -179.035 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 21.9 p -90.86 43.56 1.15 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.587 179.023 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . 0.654 ' HZ2' ' HA ' ' A' ' 14' ' ' CYS . 10.0 t-105 -150.32 85.91 1.4 Allowed 'General case' 0 N--CA 1.45 -0.47 0 CA-C-O 121.666 0.746 . . . . 0.0 111.248 -179.52 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 1.043 ' HA ' HH12 ' A' ' 40' ' ' ARG . 12.3 p-10 -103.79 -9.62 18.9 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-N 115.326 -0.852 . . . . 0.0 109.814 178.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.1 t -82.21 -176.78 6.35 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.173 -0.922 . . . . 0.0 112.267 -178.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 88.3 t -85.13 130.04 36.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.046 -0.979 . . . . 0.0 111.416 -179.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.654 ' HA ' ' HZ2' ' A' ' 10' ' ' TRP . 1.9 t -80.1 126.47 31.12 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.363 178.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 56.4 mt -98.99 -39.59 8.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 120.916 0.389 . . . . 0.0 111.182 -179.478 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.609 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 19.6 t-20 -144.11 160.94 40.04 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.398 -178.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.497 ' HZ2' ' CG ' ' A' ' 31' ' ' ASP . 63.5 tttp -65.04 -36.31 83.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.286 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.732 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 22.6 tptp -51.47 -57.31 14.79 Favored Pre-proline 0 CA--C 1.54 0.595 0 CA-C-O 119.476 -0.297 . . . . 0.0 111.767 -179.464 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.732 ' HD3' ' HB3' ' A' ' 18' ' ' LYS . 65.9 Cg_exo -56.11 -42.12 69.71 Favored 'Trans proline' 0 C--N 1.356 0.954 0 C-N-CA 122.326 2.017 . . . . 0.0 111.267 178.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 38.9 t -60.58 -51.4 69.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.182 -0.917 . . . . 0.0 110.713 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.454 HG21 ' O ' ' A' ' 17' ' ' LYS . 95.3 t -57.16 -36.44 51.65 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.109 0 CA-C-N 116.57 -0.286 . . . . 0.0 110.612 179.272 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.46 -46.24 87.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.85 0.357 . . . . 0.0 110.463 178.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.59 ' O ' ' HG3' ' A' ' 26' ' ' LYS . 4.1 t -64.73 -44.37 90.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.551 0.691 . . . . 0.0 109.497 179.08 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.55 ' SG ' ' HA3' ' A' ' 32' ' ' GLY . 78.2 m -64.52 -36.04 82.93 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.996 179.477 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.6 tppt? -65.82 -44.69 84.83 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.618 -0.264 . . . . 0.0 110.835 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.59 ' HG3' ' O ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -66.9 -27.11 67.23 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-O 121.008 0.432 . . . . 0.0 109.962 178.927 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.466 ' HB1' ' CD1' ' A' ' 29' ' ' PHE . . . -81.07 -0.83 41.69 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.517 178.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.445 ' HB2' ' HE3' ' A' ' 28' ' ' LYS . 27.0 ttmt 71.55 35.98 1.36 Allowed 'General case' 0 C--O 1.237 0.405 0 CA-C-N 115.278 -0.874 . . . . 0.0 111.907 179.171 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.466 ' CD1' ' HB1' ' A' ' 27' ' ' ALA . 19.2 m-85 -102.12 148.67 25.11 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.8 178.207 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.5 ' OG ' ' HA ' ' A' ' 45' ' ' LYS . 0.9 OUTLIER -60.09 -49.45 77.62 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.958 -0.564 . . . . 0.0 112.129 -178.596 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.497 ' CG ' ' HZ2' ' A' ' 17' ' ' LYS . 4.9 t70 -158.09 145.96 18.51 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.862 0.363 . . . . 0.0 111.433 -179.584 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.55 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -109.6 141.2 16.03 Favored Glycine 0 N--CA 1.447 -0.608 0 CA-C-N 115.76 -0.655 . . . . 0.0 112.032 179.616 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.535 ' HE1' HG22 ' A' ' 44' ' ' THR . 30.5 p-80 -130.7 132.99 45.7 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.266 0.555 . . . . 0.0 111.356 -179.789 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 2.9 t -68.67 133.95 49.18 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.161 -0.927 . . . . 0.0 109.619 179.521 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.961 ' HB3' HD13 ' A' ' 42' ' ' LEU . 54.6 p -87.8 -156.08 0.33 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.383 0.611 . . . . 0.0 112.188 -178.666 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -133.58 -34.28 1.05 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.667 -179.364 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.505 ' HB ' ' H ' ' A' ' 38' ' ' LEU . 5.7 mt -61.28 -98.96 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 CA-C-O 121.447 0.641 . . . . 0.0 111.678 -178.788 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.505 ' H ' ' HB ' ' A' ' 37' ' ' ILE . 23.3 tp -79.93 2.76 22.2 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.59 0.71 . . . . 0.0 109.945 -179.844 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 23.8 tpt180 63.63 31.95 14.22 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 114.487 -1.233 . . . . 0.0 110.841 179.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 1.043 HH12 ' HA ' ' A' ' 11' ' ' ASP . 74.9 mtt-85 -75.52 156.86 34.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.497 178.596 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.413 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 11.3 t -85.32 100.12 11.6 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.368 -0.378 . . . . 0.0 109.987 178.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.961 HD13 ' HB3' ' A' ' 35' ' ' SER . 10.6 mp -81.68 122.15 27.27 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.3 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.401 ' HB2' ' O ' ' A' ' 5' ' ' ALA . 64.0 m -103.09 136.16 43.41 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 120.817 0.341 . . . . 0.0 110.418 179.718 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.535 HG22 ' HE1' ' A' ' 33' ' ' HIS . 0.2 OUTLIER -121.15 140.69 51.65 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.615 179.727 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.5 ' HA ' ' OG ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -160.94 165.29 30.23 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.271 179.549 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.518 ' H ' ' CD ' ' A' ' 46' ' ' GLU . 0.5 OUTLIER -80.16 124.55 28.88 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 114.999 -1.0 . . . . 0.0 110.446 179.414 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.245 0.864 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 178.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 13.4 m . . . . . 0 N--CA 1.455 -0.21 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 56.0 m -115.7 128.88 56.22 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.953 0.406 . . . . 0.0 111.249 -179.144 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.612 ' HD3' ' HG ' ' A' ' 42' ' ' LEU . 0.5 OUTLIER -119.85 134.82 55.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.536 -179.84 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.587 ' N ' ' HD2' ' A' ' 4' ' ' LYS . . . -163.03 136.16 5.7 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 179.06 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.565 ' HG3' HD13 ' A' ' 42' ' ' LEU . 9.7 mp0 -66.34 139.22 58.02 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 -179.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.413 ' HB2' ' SG ' ' A' ' 43' ' ' CYS . 48.4 t -54.17 123.63 42.39 Favored Pre-proline 0 C--N 1.322 -0.6 0 O-C-N 123.456 0.473 . . . . 0.0 110.245 -179.431 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_endo -56.2 -41.86 72.25 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.884 2.389 . . . . 0.0 111.833 -179.295 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 35.9 p -86.8 44.48 1.17 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.396 178.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 38.3 t-105 -148.34 122.0 9.23 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-O 121.077 0.465 . . . . 0.0 111.539 -178.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -151.22 66.66 0.9 Allowed 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 178.19 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 9.2 t -161.9 179.51 7.99 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.776 -179.049 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.481 HG12 ' HG2' ' A' ' 39' ' ' ARG . 60.6 t -78.84 117.84 25.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 121.226 0.536 . . . . 0.0 111.347 -179.456 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.563 ' SG ' ' HB2' ' A' ' 20' ' ' CYS . 49.2 t -80.23 106.59 12.37 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.749 -0.659 . . . . 0.0 109.787 179.278 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 63.3 mt -99.31 -57.64 4.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-O 121.076 0.465 . . . . 0.0 110.307 -179.699 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.52 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 18.7 t-20 -95.9 146.81 24.28 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.501 179.243 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 39.2 mtmm -69.9 -33.62 72.45 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 111.939 0.348 . . . . 0.0 111.939 -179.556 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.701 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 12.5 tmtt? -51.03 -56.09 22.68 Favored Pre-proline 0 CA--C 1.539 0.547 0 CA-C-O 119.592 -0.242 . . . . 0.0 111.378 -179.342 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.701 ' HD3' ' HB3' ' A' ' 18' ' ' LYS . 83.5 Cg_exo -52.29 -43.83 50.87 Favored 'Trans proline' 0 C--N 1.357 0.986 0 C-N-CA 122.562 2.175 . . . . 0.0 112.263 179.251 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.563 ' HB2' ' SG ' ' A' ' 14' ' ' CYS . 39.4 t -65.67 -55.67 16.25 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.399 -179.256 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.603 ' O ' ' HG2' ' A' ' 25' ' ' LYS . 99.8 t -53.93 -45.59 63.76 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.221 0 CA-C-O 120.604 0.24 . . . . 0.0 110.38 179.691 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.68 -43.14 89.83 Favored 'General case' 0 C--O 1.238 0.491 0 CA-C-O 120.981 0.419 . . . . 0.0 110.749 179.229 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.786 ' HA ' ' HZ1' ' A' ' 26' ' ' LYS . 6.3 t -61.18 -46.93 88.46 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 178.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 72.7 m -61.61 -40.23 94.07 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 114.949 -1.023 . . . . 0.0 111.641 179.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.603 ' HG2' ' O ' ' A' ' 21' ' ' VAL . 12.6 mmmm -61.7 -42.56 99.11 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.855 -0.338 . . . . 0.0 110.646 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.786 ' HZ1' ' HA ' ' A' ' 23' ' ' CYS . 6.1 ptpp? -68.12 -30.76 69.99 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 120.484 -0.487 . . . . 0.0 109.892 179.372 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -80.74 4.5 18.73 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.918 179.508 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.42 ' HE3' ' HB2' ' A' ' 28' ' ' LYS . 32.4 ttmt 68.65 47.44 0.87 Allowed 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.545 179.527 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.641 ' HA ' ' HD3' ' A' ' 45' ' ' LYS . 31.0 m-85 -122.05 147.24 46.33 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 178.11 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.527 ' H ' ' HB3' ' A' ' 45' ' ' LYS . 2.7 m -76.85 -42.33 40.53 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 112.546 0.573 . . . . 0.0 112.546 -178.261 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -120.71 155.64 33.47 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.539 0.57 . . . . 0.0 112.539 -177.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -146.17 127.27 2.72 Favored Glycine 0 N--CA 1.444 -0.824 0 N-CA-C 110.325 -1.11 . . . . 0.0 110.325 178.545 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 32.3 p80 -149.06 142.04 24.8 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.226 0.536 . . . . 0.0 111.925 -178.306 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 13.7 m -66.5 146.91 54.0 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.326 179.347 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.976 ' HB3' HD11 ' A' ' 42' ' ' LEU . 11.0 p -92.84 -159.0 0.64 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.076 0.465 . . . . 0.0 111.523 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -116.99 -35.16 4.18 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.652 -179.585 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 12.4 mt -67.43 -102.3 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 CA-C-O 120.88 0.371 . . . . 0.0 111.783 -178.471 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.433 ' HA ' HD11 ' A' ' 38' ' ' LEU . 26.0 tp -77.56 6.64 6.78 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.519 0.676 . . . . 0.0 110.719 -179.579 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.481 ' HG2' HG12 ' A' ' 13' ' ' VAL . 21.4 tpt180 60.79 30.09 19.44 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 114.923 -1.035 . . . . 0.0 110.824 179.723 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 84.6 mtt-85 -69.98 154.66 41.66 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.185 178.498 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.434 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 20.3 t -77.82 110.91 13.1 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.316 179.448 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.976 HD11 ' HB3' ' A' ' 35' ' ' SER . 9.4 mp -90.17 123.91 34.39 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.283 179.519 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.413 ' SG ' ' HB2' ' A' ' 7' ' ' CYS . 85.4 m -104.95 134.31 48.28 Favored 'General case' 0 C--N 1.313 -0.991 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 179.53 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.42 148.37 51.32 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-O 121.207 0.527 . . . . 0.0 110.86 -179.445 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.641 ' HD3' ' HA ' ' A' ' 29' ' ' PHE . 61.7 pttt -163.0 174.12 12.73 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.723 179.503 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.404 ' H ' ' HG2' ' A' ' 46' ' ' GLU . 13.8 pt-20 -79.21 151.47 31.2 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.642 179.445 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 28.7 p . . . . . 0 C--O 1.253 1.287 0 CA-C-O 117.551 -1.214 . . . . 0.0 109.079 -179.996 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 12.2 m . . . . . 0 N--CA 1.451 -0.401 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.422 ' O ' ' HA ' ' A' ' 44' ' ' THR . 59.2 m -91.86 136.95 32.76 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.024 -179.3 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.626 ' HD2' HD23 ' A' ' 42' ' ' LEU . 11.7 ttpp -131.49 121.45 24.53 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.834 -179.686 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -152.29 143.46 23.2 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.334 179.241 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.763 ' HG2' HD13 ' A' ' 42' ' ' LEU . 42.1 mt-10 -65.83 140.07 58.36 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 -179.489 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 15.1 t -53.93 126.14 50.05 Favored Pre-proline 0 C--N 1.325 -0.459 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.03 -179.171 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_exo -51.28 -39.8 62.08 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 123.141 2.561 . . . . 0.0 112.683 -178.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 40.2 p -92.83 50.64 1.59 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.132 179.166 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 9.0 t-105 -157.03 137.78 13.28 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.32 -179.15 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -150.54 -29.51 0.21 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.651 -179.647 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 17.4 m -72.8 175.66 6.3 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.238 -0.892 . . . . 0.0 113.079 -177.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.706 HG12 ' HB3' ' A' ' 39' ' ' ARG . 90.8 t -78.49 130.22 36.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 114.906 -1.043 . . . . 0.0 111.016 -179.719 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.482 ' HB3' ' HG3' ' A' ' 39' ' ' ARG . 0.1 OUTLIER -71.55 127.99 34.38 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.055 179.547 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 51.6 mt -99.35 -26.07 3.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.395 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.565 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 19.9 t-20 -153.72 153.69 32.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.613 -179.499 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.551 ' O ' HG22 ' A' ' 21' ' ' VAL . 22.0 tptp -62.16 -40.22 95.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.883 -179.594 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.692 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 40.0 ttpt -51.96 -56.83 18.08 Favored Pre-proline 0 N--CA 1.47 0.552 0 N-CA-C 112.615 0.598 . . . . 0.0 112.615 -178.79 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.692 ' HD3' ' HB3' ' A' ' 18' ' ' LYS . 85.4 Cg_exo -50.53 -42.67 48.4 Favored 'Trans proline' 0 C--N 1.358 1.041 0 C-N-CA 122.383 2.055 . . . . 0.0 112.109 179.493 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 49.9 t -63.4 -50.69 68.84 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.381 179.593 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.551 HG22 ' O ' ' A' ' 17' ' ' LYS . 60.9 t -56.83 -40.24 69.85 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.207 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.716 179.238 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.14 -46.66 89.64 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-O 120.847 0.356 . . . . 0.0 110.897 179.589 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.574 ' HA ' ' HE3' ' A' ' 26' ' ' LYS . 5.3 t -62.08 -46.78 87.57 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-O 121.601 0.715 . . . . 0.0 109.745 179.345 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.597 ' SG ' ' HA3' ' A' ' 32' ' ' GLY . 82.8 m -65.08 -39.09 92.7 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 114.905 -1.043 . . . . 0.0 111.663 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.412 ' HD3' ' HA ' ' A' ' 25' ' ' LYS . 10.3 tppt? -63.29 -47.77 80.91 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.634 -0.257 . . . . 0.0 111.22 -178.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.574 ' HE3' ' HA ' ' A' ' 23' ' ' CYS . 19.9 pttp -66.62 -28.63 68.64 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.85 -0.34 . . . . 0.0 110.496 179.524 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.43 ' HB2' ' CE1' ' A' ' 29' ' ' PHE . . . -84.76 6.77 23.08 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-O 120.978 0.418 . . . . 0.0 111.173 179.168 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.436 ' O ' ' HD3' ' A' ' 45' ' ' LYS . 8.2 tmtt? 65.22 68.17 0.5 Allowed 'General case' 0 C--N 1.333 -0.115 0 C-N-CA 123.635 0.774 . . . . 0.0 111.215 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.52 ' HA ' ' HB3' ' A' ' 45' ' ' LYS . 55.0 m-85 -132.28 147.09 52.39 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 178.012 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.532 ' OG ' ' HA ' ' A' ' 45' ' ' LYS . 6.0 m -59.18 -48.66 80.79 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.741 0.305 . . . . 0.0 110.681 -179.13 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 47.2 t0 -162.91 153.12 16.22 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.02 178.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.597 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -113.56 142.81 17.65 Favored Glycine 0 N--CA 1.444 -0.783 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 179.277 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 28.1 p80 -137.49 132.9 33.97 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-O 121.468 0.652 . . . . 0.0 110.654 -179.378 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 9.2 m -72.88 134.03 44.65 Favored 'General case' 0 C--N 1.311 -1.095 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.257 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.792 ' HB3' HD11 ' A' ' 42' ' ' LEU . 18.7 p -73.97 -179.72 3.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.09 0.471 . . . . 0.0 111.903 -178.8 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 61.5 tttp -93.55 -31.44 14.53 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.749 -179.466 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 13.7 mt -69.96 -101.76 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 CA-C-O 120.898 0.38 . . . . 0.0 111.885 -178.386 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.781 HD21 ' HE ' ' A' ' 40' ' ' ARG . 24.5 tp -75.6 4.11 8.26 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 121.143 0.497 . . . . 0.0 111.228 -179.248 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.706 ' HB3' HG12 ' A' ' 13' ' ' VAL . 23.1 tpt180 62.09 32.22 17.58 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.249 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.781 ' HE ' HD21 ' A' ' 38' ' ' LEU . 97.6 mtt180 -68.81 156.18 38.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.904 179.38 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.459 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 44.3 t -83.0 96.8 8.44 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.385 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.792 HD11 ' HB3' ' A' ' 35' ' ' SER . 11.1 mp -86.97 116.8 25.27 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 178.868 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.524 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 61.4 m -94.13 136.29 34.58 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-O 120.873 0.368 . . . . 0.0 111.175 -179.527 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.493 HG23 ' HB2' ' A' ' 4' ' ' LYS . 0.3 OUTLIER -118.89 142.19 47.97 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.051 179.075 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.532 ' HA ' ' OG ' ' A' ' 30' ' ' SER . 53.6 pttt -159.85 175.75 12.72 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.248 0.547 . . . . 0.0 111.701 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -79.56 145.48 33.12 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 114.67 -1.15 . . . . 0.0 111.065 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 25.4 p . . . . . 0 C--O 1.242 0.675 0 N-CA-C 109.13 -0.692 . . . . 0.0 109.13 179.273 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 17.6 m . . . . . 0 N--CA 1.455 -0.218 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 57.7 m -112.17 137.82 49.72 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.92 0.391 . . . . 0.0 111.237 -179.106 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.599 ' HG2' ' CG2' ' A' ' 44' ' ' THR . 54.9 mtmt -124.5 135.05 52.89 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.169 179.717 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -161.74 139.02 8.64 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.825 179.654 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.484 ' OE1' ' HD2' ' A' ' 40' ' ' ARG . 7.4 mt-10 -64.31 141.98 58.58 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.602 ' HB3' ' HB2' ' A' ' 10' ' ' TRP . 45.8 t -56.88 126.36 72.04 Favored Pre-proline 0 C--N 1.322 -0.589 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.268 -179.396 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -54.04 -39.13 86.68 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 123.115 2.544 . . . . 0.0 112.585 -179.145 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 23.7 p -97.78 45.36 1.03 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.059 179.682 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . 0.602 ' HB2' ' HB3' ' A' ' 7' ' ' CYS . 45.2 t-105 -132.53 122.66 25.17 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.273 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -148.01 58.97 1.11 Allowed 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 179.482 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 64.6 m -160.79 169.51 22.58 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.218 -178.71 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 99.7 t -78.56 126.49 38.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 179.293 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.556 ' SG ' ' HB2' ' A' ' 20' ' ' CYS . 4.1 t -73.15 117.18 14.58 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.048 -179.449 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 63.7 mt -98.48 -53.21 8.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-O 120.952 0.406 . . . . 0.0 110.479 -179.477 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.578 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 18.1 t-20 -117.3 152.52 34.71 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.892 -0.594 . . . . 0.0 109.96 179.771 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.525 ' HZ3' ' CG ' ' A' ' 31' ' ' ASP . 63.2 tttp -64.79 -36.91 85.83 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.862 -179.546 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.668 ' HB2' ' HD3' ' A' ' 19' ' ' PRO . 57.7 mtpt -50.78 -57.08 14.67 Favored Pre-proline 0 N--CA 1.47 0.553 0 N-CA-C 112.45 0.537 . . . . 0.0 112.45 -179.134 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.668 ' HD3' ' HB2' ' A' ' 18' ' ' LYS . 85.4 Cg_exo -51.71 -43.29 52.05 Favored 'Trans proline' 0 C--N 1.358 1.04 0 C-N-CA 122.336 2.024 . . . . 0.0 112.147 179.453 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.556 ' HB2' ' SG ' ' A' ' 14' ' ' CYS . 42.8 t -64.7 -51.15 63.98 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.619 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.479 ' CG1' ' HE2' ' A' ' 25' ' ' LYS . 95.1 t -56.8 -42.15 77.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.952 179.566 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.553 ' O ' ' HG2' ' A' ' 26' ' ' LYS . . . -61.05 -46.64 89.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.246 179.203 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.452 ' O ' ' HG3' ' A' ' 26' ' ' LYS . 5.4 t -60.62 -42.26 96.49 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.603 0.716 . . . . 0.0 109.86 179.06 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.623 ' SG ' ' HA3' ' A' ' 32' ' ' GLY . 81.7 m -65.5 -46.5 79.45 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 115.275 -0.875 . . . . 0.0 112.151 -179.595 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.479 ' HE2' ' CG1' ' A' ' 21' ' ' VAL . 67.6 mttm -62.55 -40.74 97.79 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 111.887 0.329 . . . . 0.0 111.887 -179.192 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.553 ' HG2' ' O ' ' A' ' 22' ' ' ALA . 14.9 ptmt -67.62 -32.9 73.92 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.342 -0.543 . . . . 0.0 109.581 178.128 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -80.81 5.87 14.68 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.974 178.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.443 ' HD3' ' HA ' ' A' ' 28' ' ' LYS . 4.8 tppt? 71.4 56.83 0.19 Allowed 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.374 -0.83 . . . . 0.0 112.281 179.105 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.549 ' HA ' ' HD3' ' A' ' 45' ' ' LYS . 47.6 m-85 -130.53 148.01 52.28 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 178.136 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.501 ' H ' ' HB3' ' A' ' 45' ' ' LYS . 6.8 m -63.46 -48.22 78.62 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -178.572 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.525 ' CG ' ' HZ3' ' A' ' 17' ' ' LYS . 5.0 t70 -161.4 147.92 14.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.705 -0.225 . . . . 0.0 111.041 -179.09 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.623 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -114.76 153.29 17.72 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.921 -0.657 . . . . 0.0 112.85 -179.817 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.435 ' HE1' HG23 ' A' ' 44' ' ' THR . 39.4 p-80 -139.5 135.09 33.13 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.889 0.376 . . . . 0.0 110.817 -179.763 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.474 ' HB3' ' HB3' ' A' ' 14' ' ' CYS . 22.4 m -72.8 126.79 30.76 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 178.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.654 ' O ' ' HA ' ' A' ' 39' ' ' ARG . 15.6 p -70.93 158.56 36.25 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 179.597 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 40.1 ttpt -88.77 -35.48 16.64 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 -178.591 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 62.1 mt -67.16 -75.71 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 112.799 0.666 . . . . 0.0 112.799 -178.002 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.7 ' HB3' ' HG2' ' A' ' 40' ' ' ARG . 22.1 tp -87.31 -9.25 55.43 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.134 0.492 . . . . 0.0 110.974 -178.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.654 ' HA ' ' O ' ' A' ' 35' ' ' SER . 22.0 tpt180 63.72 32.02 13.96 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.251 -0.886 . . . . 0.0 111.369 179.673 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.7 ' HG2' ' HB3' ' A' ' 38' ' ' LEU . 9.7 ptt180 -91.33 155.18 18.7 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.712 178.014 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.402 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 31.3 t -75.51 106.94 7.32 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.227 0.454 . . . . 0.0 112.227 -178.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.508 HD13 ' HB3' ' A' ' 35' ' ' SER . 9.5 mp -97.38 121.98 39.9 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 177.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.494 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 75.2 m -93.55 142.61 27.15 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-O 120.999 0.428 . . . . 0.0 111.34 -179.22 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.599 ' CG2' ' HG2' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -125.11 141.67 51.97 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.713 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.549 ' HD3' ' HA ' ' A' ' 29' ' ' PHE . 61.2 pttt -162.37 169.96 19.65 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.934 178.623 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -78.54 151.08 32.68 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.033 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 28.6 p . . . . . 0 C--O 1.253 1.288 0 CA-C-O 117.563 -1.208 . . . . 0.0 109.007 -179.921 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 36.2 m . . . . . 0 N--CA 1.451 -0.385 0 CA-C-O 121.077 0.465 . . . . 0.0 109.88 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 61.7 m -95.32 137.78 33.91 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.479 -179.465 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.461 ' HA ' ' O ' ' A' ' 43' ' ' CYS . 37.1 ttpt -134.97 130.86 36.45 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.679 -179.378 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -168.46 146.19 4.08 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.294 179.677 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.501 ' HG2' ' HB3' ' A' ' 40' ' ' ARG . 3.4 mp0 -63.85 143.39 57.89 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.907 0.384 . . . . 0.0 110.64 -179.459 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.428 ' HB2' ' SG ' ' A' ' 43' ' ' CYS . 47.7 t -56.9 126.69 73.16 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.379 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_exo -57.8 -42.21 61.64 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.93 2.42 . . . . 0.0 112.467 -179.3 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 56.7 p -88.58 45.43 1.29 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.087 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . 0.45 ' HH2' ' HB2' ' A' ' 19' ' ' PRO . 58.1 t-105 -133.56 127.5 33.26 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.763 0.316 . . . . 0.0 110.785 -179.624 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -150.5 68.57 0.97 Allowed 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 179.328 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.7 t -170.27 171.57 6.67 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.062 -178.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 59.6 t -79.2 118.59 26.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.389 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.553 ' SG ' ' HB2' ' A' ' 20' ' ' CYS . 19.2 t -77.46 105.67 8.74 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 179.671 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 64.1 mt -98.88 -47.14 12.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 120.902 0.382 . . . . 0.0 110.597 -179.263 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.624 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 42.7 t30 -114.13 148.24 37.52 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.99 179.576 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.532 ' O ' HG22 ' A' ' 21' ' ' VAL . 7.4 mtpt -65.77 -35.58 81.11 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.79 0.663 . . . . 0.0 112.79 -178.737 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.662 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 10.3 tmtt? -47.13 -56.83 10.86 Favored Pre-proline 0 N--CA 1.473 0.706 0 N-CA-C 112.182 0.438 . . . . 0.0 112.182 -178.245 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.662 ' HD3' ' HB3' ' A' ' 18' ' ' LYS . 53.2 Cg_exo -56.2 -42.73 63.27 Favored 'Trans proline' 0 C--N 1.354 0.849 0 C-N-CA 122.142 1.894 . . . . 0.0 111.801 179.45 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.553 ' HB2' ' SG ' ' A' ' 14' ' ' CYS . 34.3 t -63.21 -49.68 73.24 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.703 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.532 HG22 ' O ' ' A' ' 17' ' ' LYS . 92.3 t -55.81 -42.85 72.03 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.96 179.513 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.15 -43.48 98.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.115 0.483 . . . . 0.0 110.366 179.3 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.982 ' HA ' ' HE3' ' A' ' 26' ' ' LYS . 4.8 t -65.63 -47.44 75.58 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.836 179.194 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.463 ' SG ' ' HA3' ' A' ' 32' ' ' GLY . 96.8 m -59.83 -47.61 85.02 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.313 -0.858 . . . . 0.0 112.193 -179.576 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -65.39 -33.6 76.34 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.966 -0.294 . . . . 0.0 111.664 -179.469 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.982 ' HE3' ' HA ' ' A' ' 23' ' ' CYS . 6.8 ptpt -66.52 -33.33 75.45 Favored 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 178.228 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -87.17 13.96 8.56 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.092 179.668 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 36.7 ttmt 66.88 57.57 0.63 Allowed 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 115.64 -0.709 . . . . 0.0 112.121 179.096 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.467 ' CD2' ' HG2' ' A' ' 45' ' ' LYS . 64.5 m-85 -128.74 146.07 51.0 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 108.928 -0.768 . . . . 0.0 108.928 178.142 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.476 ' OG ' ' HA ' ' A' ' 45' ' ' LYS . 0.4 OUTLIER -66.9 -45.41 78.1 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 112.24 0.459 . . . . 0.0 112.24 -178.32 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.485 ' CG ' ' HZ3' ' A' ' 17' ' ' LYS . 45.1 t0 -154.43 157.14 38.02 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.99 0.424 . . . . 0.0 110.827 -179.169 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.463 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -123.43 161.73 17.63 Favored Glycine 0 N--CA 1.446 -0.634 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.821 179.652 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.551 ' HE1' HG21 ' A' ' 44' ' ' THR . 33.5 p-80 -156.23 133.81 10.93 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.033 0.444 . . . . 0.0 111.183 -179.455 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.409 ' HB3' ' HB3' ' A' ' 14' ' ' CYS . 14.6 m -70.06 135.82 49.67 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.816 179.253 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.795 ' HB3' HD11 ' A' ' 42' ' ' LEU . 11.7 p -81.45 -155.06 0.12 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.918 0.389 . . . . 0.0 111.198 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.41 ' H ' ' HB2' ' A' ' 35' ' ' SER . 86.5 tttt -123.33 -39.89 2.42 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.265 -0.425 . . . . 0.0 112.104 -179.251 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.418 ' HB ' ' H ' ' A' ' 38' ' ' LEU . 30.4 mt -60.54 -89.63 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.367 0 CA-C-O 120.903 0.382 . . . . 0.0 111.824 -178.458 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.793 HD23 ' HE ' ' A' ' 40' ' ' ARG . 26.3 tp -87.56 5.8 37.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.638 0.732 . . . . 0.0 110.094 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 59.13 33.7 22.95 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 114.559 -1.201 . . . . 0.0 110.533 -179.523 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.793 ' HE ' HD23 ' A' ' 38' ' ' LEU . 99.6 mtt180 -68.21 152.27 45.71 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.721 179.114 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.451 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 7.5 t -82.26 95.36 7.55 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.191 -0.459 . . . . 0.0 109.86 178.609 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.795 HD11 ' HB3' ' A' ' 35' ' ' SER . 9.8 mp -81.19 124.54 29.36 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.474 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.461 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 65.7 m -102.69 143.41 32.39 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.821 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.551 HG21 ' HE1' ' A' ' 33' ' ' HIS . 0.5 OUTLIER -130.54 141.88 50.47 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.014 -179.687 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.476 ' HA ' ' OG ' ' A' ' 30' ' ' SER . 2.6 pttm -160.8 162.33 32.28 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.986 179.152 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.3 pm0 -77.66 145.77 36.48 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.154 179.595 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 22.8 p . . . . . 0 C--O 1.242 0.692 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 -179.727 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 11.7 m . . . . . 0 N--CA 1.455 -0.224 0 N-CA-C 110.013 -0.365 . . . . 0.0 110.013 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 78.0 m -110.26 141.3 43.41 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.68 -179.559 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.854 ' HB3' HG22 ' A' ' 44' ' ' THR . 24.2 pttm -150.44 142.26 23.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.024 0.44 . . . . 0.0 111.316 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -166.27 148.45 6.87 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.853 -1.067 . . . . 0.0 108.785 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.577 ' HG3' HD13 ' A' ' 42' ' ' LEU . 3.4 mp0 -60.63 139.57 57.77 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.701 0.286 . . . . 0.0 110.534 -179.331 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 22.3 t -55.88 124.43 58.03 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.355 179.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_exo -52.6 -39.82 74.52 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.967 2.445 . . . . 0.0 112.563 -178.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 26.7 p -92.71 47.3 1.28 Allowed 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.789 179.446 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . 0.437 ' HH2' ' HB2' ' A' ' 19' ' ' PRO . 37.2 t-105 -145.68 125.07 13.06 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.874 0.369 . . . . 0.0 111.176 -179.318 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -150.71 62.5 0.93 Allowed 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 178.616 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 51.0 m -153.95 170.78 20.23 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.208 -0.906 . . . . 0.0 110.257 -178.526 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.409 HG13 ' HG2' ' A' ' 39' ' ' ARG . 61.9 t -77.48 118.85 25.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.13 0.49 . . . . 0.0 110.697 -179.585 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.41 ' SG ' ' HB2' ' A' ' 20' ' ' CYS . 22.1 t -76.03 99.16 4.51 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.888 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 66.9 mt -97.98 -53.24 8.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 121.021 0.438 . . . . 0.0 109.831 -179.685 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.536 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 16.9 t-20 -100.4 140.69 34.29 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 178.733 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 51.2 tttm -67.84 -35.57 78.81 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 -178.328 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.672 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 39.9 ttpt -50.63 -55.87 23.28 Favored Pre-proline 0 N--CA 1.47 0.555 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 -178.701 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.672 ' HD3' ' HB3' ' A' ' 18' ' ' LYS . 75.4 Cg_exo -52.81 -43.72 53.85 Favored 'Trans proline' 0 C--N 1.357 0.98 0 C-N-CA 122.335 2.023 . . . . 0.0 112.072 179.663 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.41 ' HB2' ' SG ' ' A' ' 14' ' ' CYS . 42.1 t -62.68 -51.59 66.61 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.438 179.766 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.9 t -57.65 -38.18 63.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.692 179.308 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.29 -47.48 85.77 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.556 179.292 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.512 ' HA ' ' HE3' ' A' ' 26' ' ' LYS . 6.4 t -61.19 -45.87 92.8 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.33 0.586 . . . . 0.0 109.758 179.245 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.598 ' SG ' ' HA3' ' A' ' 32' ' ' GLY . 76.8 m -62.9 -47.45 83.24 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.104 -0.953 . . . . 0.0 112.428 -179.42 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 55.4 mtmt -59.87 -45.5 92.28 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 111.544 0.201 . . . . 0.0 111.544 -179.495 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.512 ' HE3' ' HA ' ' A' ' 23' ' ' CYS . 19.3 pttp -68.61 -25.34 64.81 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 120.518 -0.473 . . . . 0.0 110.558 179.733 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -88.41 9.85 22.08 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 121.087 0.47 . . . . 0.0 110.686 178.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 19.9 tptm 67.14 58.87 0.55 Allowed 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 115.33 -0.85 . . . . 0.0 112.266 179.367 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.489 ' HA ' ' HD3' ' A' ' 45' ' ' LYS . 56.2 m-85 -131.28 147.22 52.56 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 177.622 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.552 ' H ' ' HB3' ' A' ' 45' ' ' LYS . 10.4 m -63.25 -46.59 86.17 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.309 0.485 . . . . 0.0 112.309 -178.473 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -163.95 143.95 8.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.698 0.285 . . . . 0.0 111.271 -179.354 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.598 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -108.19 150.96 17.03 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 121.197 -0.525 . . . . 0.0 112.408 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 34.7 p80 -142.9 140.47 31.21 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.04 0.448 . . . . 0.0 111.269 -179.388 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 22.4 m -68.73 139.18 55.34 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.939 179.278 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.769 ' HB3' HD11 ' A' ' 42' ' ' LEU . 21.1 p -90.3 169.96 10.67 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.87 0.367 . . . . 0.0 110.945 179.845 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 23.7 ttpp -88.99 -26.73 21.32 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.809 -179.404 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.4 ' HB ' ' H ' ' A' ' 38' ' ' LEU . 16.8 mt -71.03 -106.17 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.914 -178.198 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.672 HD21 ' HE ' ' A' ' 40' ' ' ARG . 22.9 tp -77.66 12.21 1.76 Allowed 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 121.32 0.581 . . . . 0.0 111.166 -179.167 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.499 ' HD2' ' O ' ' A' ' 35' ' ' SER . 18.3 tpt180 58.87 30.66 20.42 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.652 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.672 ' HE ' HD21 ' A' ' 38' ' ' LEU . 99.4 mtt180 -69.7 151.8 45.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.547 179.026 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.545 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 10.1 t -82.3 98.45 8.8 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.292 178.843 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.769 HD11 ' HB3' ' A' ' 35' ' ' SER . 9.1 mp -84.98 117.33 23.9 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.714 179.652 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.596 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 73.3 m -91.21 129.65 37.18 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.503 179.785 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.854 HG22 ' HB3' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -115.31 146.43 41.52 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.166 -179.749 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.552 ' HB3' ' H ' ' A' ' 30' ' ' SER . 55.7 pttt -162.12 171.14 17.94 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.01 178.698 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -78.43 151.17 32.86 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.163 -0.926 . . . . 0.0 110.915 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 29.3 p . . . . . 0 C--O 1.244 0.776 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.027 -179.963 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 31.2 m . . . . . 0 N--CA 1.451 -0.375 0 CA-C-O 121.302 0.573 . . . . 0.0 110.326 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 61.3 m -91.1 138.18 31.8 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.248 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.509 ' NZ ' ' HB3' ' A' ' 4' ' ' LYS . 5.5 ttpm? -137.2 128.23 27.61 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.664 -179.215 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -162.72 142.9 9.49 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.36 -0.836 . . . . 0.0 108.966 179.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.544 ' HG2' HD13 ' A' ' 42' ' ' LEU . 50.4 mt-10 -66.34 143.61 57.07 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.845 0.355 . . . . 0.0 110.692 -179.205 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.412 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 34.3 t -58.77 126.79 81.47 Favored Pre-proline 0 C--N 1.321 -0.636 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.018 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 7' ' ' CYS . 36.6 Cg_exo -58.12 -40.6 75.47 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.82 2.347 . . . . 0.0 112.373 -179.258 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.1 p -87.28 50.08 1.94 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.204 179.678 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . 0.484 ' HH2' ' HB2' ' A' ' 19' ' ' PRO . 58.1 t-105 -140.02 116.8 10.92 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.505 -179.75 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 13.7 p-10 -143.58 29.27 1.41 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.592 0.711 . . . . 0.0 109.941 -179.637 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.2 m -131.02 164.28 25.73 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.125 -179.69 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 60.8 t -78.58 124.99 37.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.936 179.649 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.71 ' HB3' ' HB3' ' A' ' 39' ' ' ARG . 12.0 t -73.34 124.6 26.05 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.467 -179.559 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 43.4 mm -102.01 -24.46 4.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.05 179.561 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.722 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 19.5 t-20 -151.16 155.29 38.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.775 -179.635 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 57.2 tttm -63.71 -30.87 71.92 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.646 -0.252 . . . . 0.0 111.433 -179.494 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.811 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 23.8 tptm -48.36 -59.43 6.04 Favored Pre-proline 0 CA--C 1.543 0.695 0 N-CA-C 112.133 0.42 . . . . 0.0 112.133 -179.234 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.811 ' HD3' ' HB3' ' A' ' 18' ' ' LYS . 92.3 Cg_exo -50.99 -42.91 50.62 Favored 'Trans proline' 0 C--N 1.358 1.072 0 C-N-CA 122.756 2.304 . . . . 0.0 112.612 179.47 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.496 ' HB2' ' SG ' ' A' ' 34' ' ' CYS . 38.9 t -62.7 -50.17 72.2 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.091 -179.566 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 49.9 t -57.86 -38.98 69.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.812 0.339 . . . . 0.0 110.615 179.69 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.18 -47.45 84.43 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.456 179.227 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.429 ' O ' ' HG3' ' A' ' 26' ' ' LYS . 6.7 t -62.51 -47.71 82.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.097 179.357 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.706 ' SG ' ' HA3' ' A' ' 32' ' ' GLY . 88.8 m -59.47 -44.15 93.08 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.624 -0.716 . . . . 0.0 112.058 -179.62 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 55.2 mtmt -64.96 -41.51 95.4 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.782 -0.367 . . . . 0.0 111.199 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.429 ' HG3' ' O ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -70.59 -17.09 62.9 Favored 'General case' 0 C--O 1.232 0.172 0 C-N-CA 120.294 -0.562 . . . . 0.0 110.059 178.718 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -94.61 4.39 53.9 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.998 179.201 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.404 ' HE3' ' HB2' ' A' ' 28' ' ' LYS . 34.8 ttmt 70.51 57.4 0.25 Allowed 'General case' 0 C--O 1.236 0.361 0 CA-C-N 115.208 -0.906 . . . . 0.0 111.725 179.559 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.64 ' HA ' ' HD3' ' A' ' 45' ' ' LYS . 41.9 m-85 -131.48 148.65 52.66 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 178.525 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.593 ' H ' ' HB3' ' A' ' 45' ' ' LYS . 11.4 m -62.31 -48.27 80.6 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.054 0.39 . . . . 0.0 112.054 -178.795 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -159.37 151.7 21.18 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.746 0.308 . . . . 0.0 110.651 -179.688 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.706 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -119.04 146.62 18.36 Favored Glycine 0 N--CA 1.444 -0.807 0 C-N-CA 120.875 -0.678 . . . . 0.0 112.864 -179.702 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 29.2 p80 -134.55 129.24 34.75 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.464 0.649 . . . . 0.0 110.576 179.682 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.496 ' SG ' ' HB2' ' A' ' 20' ' ' CYS . 61.6 m -75.21 141.98 43.51 Favored 'General case' 0 C--N 1.311 -1.094 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.527 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 14.0 p -77.9 -162.59 0.34 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.733 0.302 . . . . 0.0 110.231 179.584 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -108.34 -43.76 4.27 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -179.33 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 38.2 mt -61.11 -88.64 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.358 0 N-CA-C 112.615 0.598 . . . . 0.0 112.615 -177.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.461 ' HB3' ' HG3' ' A' ' 40' ' ' ARG . 26.4 tp -87.2 7.16 29.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.17 0.51 . . . . 0.0 111.243 -178.72 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.71 ' HB3' ' HB3' ' A' ' 14' ' ' CYS . 35.6 mmt180 59.86 31.45 20.76 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.488 -179.189 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.483 ' HD3' ' OE2' ' A' ' 6' ' ' GLU . 66.9 mtt-85 -61.67 135.91 57.8 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.635 -0.712 . . . . 0.0 109.919 179.145 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.462 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 44.3 t -78.79 92.75 4.87 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.094 -0.503 . . . . 0.0 112.051 -178.38 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.544 HD13 ' HG2' ' A' ' 6' ' ' GLU . 10.3 mp -81.32 118.14 22.39 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 178.397 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.503 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 84.8 m -92.91 142.13 27.66 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 120.719 0.295 . . . . 0.0 110.719 -179.772 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -129.96 140.75 50.87 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.057 -179.778 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.64 ' HD3' ' HA ' ' A' ' 29' ' ' PHE . 62.1 pttt -161.12 162.86 31.62 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.399 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -78.31 146.9 34.5 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.158 179.237 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 21.5 p . . . . . 0 C--O 1.252 1.232 0 CA-C-O 117.463 -1.256 . . . . 0.0 109.375 -179.672 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.5 m . . . . . 0 C--O 1.234 0.249 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.485 ' O ' ' HA ' ' A' ' 44' ' ' THR . 56.7 m -89.81 143.82 26.47 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 120.991 0.424 . . . . 0.0 112.099 -178.446 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.842 ' HG2' HG23 ' A' ' 44' ' ' THR . 36.8 mtmm -129.18 136.34 50.03 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.097 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -163.82 131.18 3.38 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 179.313 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.579 ' HA ' ' O ' ' A' ' 41' ' ' CYS . 4.6 mp0 -63.99 141.21 58.85 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.049 0.452 . . . . 0.0 111.219 -178.658 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.688 ' SG ' ' HB2' ' A' ' 10' ' ' TRP . 0.1 OUTLIER -49.14 124.04 13.25 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 114.833 -1.076 . . . . 0.0 109.808 179.136 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -54.09 -42.08 70.07 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 123.051 2.5 . . . . 0.0 112.517 -178.547 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.2 p -90.44 41.02 1.03 Allowed 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.045 179.435 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . 0.688 ' HB2' ' SG ' ' A' ' 7' ' ' CYS . 23.5 t-105 -140.48 116.86 10.7 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-O 121.073 0.463 . . . . 0.0 111.283 -179.586 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -151.03 55.59 0.89 Allowed 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 178.355 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.1 m -154.62 178.41 10.13 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.07 -0.968 . . . . 0.0 110.144 -178.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.633 HG13 ' HG3' ' A' ' 39' ' ' ARG . 84.4 t -78.1 124.36 36.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.243 -179.529 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.872 ' H ' ' HB2' ' A' ' 39' ' ' ARG . 3.0 t -72.36 123.98 24.18 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.648 -0.705 . . . . 0.0 109.572 179.521 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 52.3 mt -99.13 -25.17 4.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 121.202 0.525 . . . . 0.0 110.729 -179.171 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.583 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 18.9 t-20 -155.1 153.58 31.07 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.874 -179.646 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.517 ' HG2' HG23 ' A' ' 21' ' ' VAL . 63.6 tttp -64.55 -34.64 78.72 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.605 -179.647 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.707 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 88.1 tttt -51.29 -57.94 12.36 Favored Pre-proline 0 CA--C 1.539 0.521 0 CA-C-O 119.246 -0.407 . . . . 0.0 111.965 -179.343 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.707 ' HD3' ' HB3' ' A' ' 18' ' ' LYS . 63.0 Cg_exo -47.12 -46.72 18.56 Favored 'Trans proline' 0 C--N 1.359 1.085 0 C-N-CA 122.779 2.319 . . . . 0.0 112.381 179.14 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 52.9 t -64.33 -52.21 59.54 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.133 -0.94 . . . . 0.0 110.856 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.517 HG23 ' HG2' ' A' ' 17' ' ' LYS . 80.2 t -56.49 -37.53 52.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.31 179.209 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.82 -47.4 85.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.335 178.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.424 ' O ' ' HG3' ' A' ' 26' ' ' LYS . 16.6 t -64.45 -49.59 70.87 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 121.495 0.664 . . . . 0.0 110.244 179.101 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.596 ' SG ' ' HA3' ' A' ' 32' ' ' GLY . 68.1 m -55.81 -43.95 77.38 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.902 -179.522 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.55 ' HE3' ' O ' ' A' ' 30' ' ' SER . 0.1 OUTLIER -63.96 -45.38 89.37 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.022 0.378 . . . . 0.0 112.022 -179.852 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.424 ' HG3' ' O ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -68.47 -16.06 63.76 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.984 179.714 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.434 ' HB2' ' CE1' ' A' ' 29' ' ' PHE . . . -102.5 11.23 38.21 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-O 120.898 0.38 . . . . 0.0 110.988 179.409 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.509 ' HZ2' ' CD ' ' A' ' 46' ' ' GLU . 46.5 tttp 65.37 51.66 1.53 Allowed 'General case' 0 CA--C 1.54 0.578 0 CA-C-O 121.674 0.75 . . . . 0.0 112.514 179.288 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.494 ' CD2' ' HB3' ' A' ' 45' ' ' LYS . 50.2 m-85 -117.14 145.18 43.98 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 177.471 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.55 ' O ' ' HE3' ' A' ' 25' ' ' LYS . 8.9 m -60.39 -45.62 92.89 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -178.605 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.488 ' CG ' ' HZ3' ' A' ' 17' ' ' LYS . 33.0 t70 -166.8 150.62 6.98 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.649 0.261 . . . . 0.0 110.897 -179.708 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.596 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -116.91 147.65 18.9 Favored Glycine 0 N--CA 1.445 -0.73 0 C-N-CA 120.954 -0.641 . . . . 0.0 112.83 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 20.7 p-80 -137.53 129.29 28.64 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.9 0.381 . . . . 0.0 110.211 179.629 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 4.7 m -69.67 135.96 50.51 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.098 -179.355 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.528 ' O ' ' HA ' ' A' ' 39' ' ' ARG . 22.6 t -69.15 174.09 4.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.206 179.496 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.423 ' HE2' ' HB2' ' A' ' 36' ' ' LYS . 15.4 tppt? -89.69 -41.19 12.06 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 -179.146 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 31.7 mt -71.65 -95.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 120.696 0.284 . . . . 0.0 111.233 -178.581 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 32.0 tp -73.34 -4.91 36.28 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 121.496 0.665 . . . . 0.0 110.266 179.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.872 ' HB2' ' H ' ' A' ' 14' ' ' CYS . 17.2 mmt85 64.1 33.94 11.59 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 114.822 -1.081 . . . . 0.0 110.459 -179.569 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.489 ' HB3' ' HG2' ' A' ' 6' ' ' GLU . 83.4 mtt-85 -58.42 140.25 54.1 Favored 'General case' 0 C--N 1.334 -0.104 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 179.004 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.579 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 24.6 t -74.48 93.43 2.46 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.372 -179.073 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.413 HD11 ' HG3' ' A' ' 6' ' ' GLU . 8.1 mp -78.94 113.94 17.47 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 178.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.43 ' HB3' ' CG ' ' A' ' 29' ' ' PHE . 73.2 m -96.22 131.08 43.08 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 121.012 0.434 . . . . 0.0 111.149 -179.687 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.842 HG23 ' HG2' ' A' ' 4' ' ' LYS . 0.1 OUTLIER -106.2 147.34 29.17 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 178.225 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.494 ' HB3' ' CD2' ' A' ' 29' ' ' PHE . 14.1 pttp -160.4 -168.68 2.23 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 113.633 0.975 . . . . 0.0 113.633 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.509 ' CD ' ' HZ2' ' A' ' 28' ' ' LYS . 10.2 pt-20 -77.44 138.46 39.27 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 113.171 -1.831 . . . . 0.0 112.624 -178.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 18.2 p . . . . . 0 C--O 1.249 1.079 0 CA-C-O 117.261 -1.352 . . . . 0.0 108.64 177.554 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 6.0 m . . . . . 0 N--CA 1.451 -0.41 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.528 ' O ' ' HA ' ' A' ' 44' ' ' THR . 64.1 m -117.51 135.19 54.1 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 112.768 0.655 . . . . 0.0 112.768 -177.024 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.725 ' HD3' ' HG ' ' A' ' 42' ' ' LEU . 0.5 OUTLIER -122.7 131.81 53.97 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.274 -0.875 . . . . 0.0 109.52 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.579 ' N ' ' HD2' ' A' ' 4' ' ' LYS . . . -159.92 127.55 4.67 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 178.763 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.49 ' HA ' ' O ' ' A' ' 41' ' ' CYS . 43.9 mp0 -63.94 136.34 57.26 Favored 'General case' 0 N--CA 1.446 -0.658 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 -179.637 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.438 ' HB2' ' SG ' ' A' ' 43' ' ' CYS . 23.4 t -54.07 124.5 45.5 Favored Pre-proline 0 C--N 1.32 -0.696 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.151 -179.098 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -55.79 -41.98 71.86 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.967 2.445 . . . . 0.0 112.146 -179.028 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.2 p -87.32 51.97 2.38 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.745 179.171 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 51.3 t-105 -147.02 126.22 12.98 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.769 -179.538 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -150.35 18.97 0.84 Allowed 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.314 179.625 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.9 t -114.21 -172.98 2.2 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.997 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 92.3 t -91.32 120.93 41.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.311 -179.711 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.562 ' SG ' ' HB2' ' A' ' 20' ' ' CYS . 20.2 t -79.63 118.91 21.9 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 179.036 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 64.8 mt -99.38 -48.93 11.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-O 120.968 0.413 . . . . 0.0 110.679 -179.312 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.657 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 37.4 t30 -125.19 164.88 19.31 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.015 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.433 ' HZ1' ' CG ' ' A' ' 31' ' ' ASP . 3.0 mmmp? -60.13 -36.93 78.59 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.014 0.375 . . . . 0.0 112.014 -179.56 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.694 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 22.4 tptm -47.93 -59.51 5.68 Favored Pre-proline 0 N--CA 1.472 0.626 0 N-CA-C 113.25 0.833 . . . . 0.0 113.25 -178.131 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.694 ' HD3' ' HB3' ' A' ' 18' ' ' LYS . 96.3 Cg_exo -50.14 -46.84 26.47 Favored 'Trans proline' 0 C--N 1.355 0.884 0 C-N-CA 122.272 1.981 . . . . 0.0 112.369 179.71 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.562 ' HB2' ' SG ' ' A' ' 14' ' ' CYS . 15.7 t -67.37 -51.37 52.85 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 114.952 -1.022 . . . . 0.0 111.038 -179.415 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.434 ' O ' ' HG2' ' A' ' 25' ' ' LYS . 76.7 t -55.44 -40.82 59.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.565 -0.289 . . . . 0.0 110.732 179.588 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.63 -49.14 78.73 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-O 120.782 0.325 . . . . 0.0 110.408 179.158 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 4.7 t -60.97 -46.86 89.01 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.593 0.711 . . . . 0.0 109.527 178.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.657 ' SG ' ' HA3' ' A' ' 32' ' ' GLY . 81.4 m -62.01 -36.24 80.94 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.021 179.385 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.732 ' HA ' ' HE3' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -60.63 -51.89 67.46 Favored 'General case' 0 CA--C 1.52 -0.179 0 CA-C-O 120.481 0.181 . . . . 0.0 110.751 179.602 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.28 -17.9 64.4 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.196 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.543 ' HB3' ' CD1' ' A' ' 29' ' ' PHE . . . -94.65 7.52 45.45 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.208 179.171 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.456 ' O ' ' HD2' ' A' ' 45' ' ' LYS . 12.6 tptp 66.71 37.44 4.28 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-O 121.908 0.861 . . . . 0.0 112.252 179.347 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.59 ' CG ' ' HB3' ' A' ' 43' ' ' CYS . 62.1 m-85 -107.72 145.7 33.1 Favored 'General case' 0 C--N 1.318 -0.765 0 O-C-N 121.237 -0.914 . . . . 0.0 109.744 177.51 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.3 m -58.85 -49.81 76.36 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.806 -178.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.433 ' CG ' ' HZ1' ' A' ' 17' ' ' LYS . 12.4 t70 -159.07 154.06 25.03 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.597 -0.274 . . . . 0.0 110.528 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.657 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -122.17 140.9 13.89 Favored Glycine 0 N--CA 1.442 -0.936 0 CA-C-N 115.926 -0.579 . . . . 0.0 112.237 -179.866 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.494 ' CE1' HD21 ' A' ' 42' ' ' LEU . 26.4 p80 -132.22 135.32 46.22 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.1 0.476 . . . . 0.0 110.86 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.497 ' HB3' ' HB3' ' A' ' 14' ' ' CYS . 3.6 m -65.88 138.28 57.76 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.467 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 1.038 ' HB3' HD12 ' A' ' 42' ' ' LEU . 14.0 p -87.31 -156.69 0.35 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.076 0.465 . . . . 0.0 110.87 179.528 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -125.26 -35.85 2.56 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.626 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 61.0 mt -54.63 -55.06 17.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -178.563 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.44 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 23.5 tp -140.76 23.03 2.29 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.758 0.79 . . . . 0.0 109.701 -179.756 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 26.1 mmm180 53.28 28.79 7.65 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 114.659 -1.155 . . . . 0.0 111.099 -179.123 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 63.1 mtt-85 -67.42 143.44 56.28 Favored 'General case' 0 N--CA 1.449 -0.475 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 179.073 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.49 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 39.6 t -72.86 99.57 2.69 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.579 -178.61 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 1.038 HD12 ' HB3' ' A' ' 35' ' ' SER . 10.4 mp -82.35 112.65 19.52 Favored 'General case' 0 CA--C 1.515 -0.386 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 178.388 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.59 ' HB3' ' CG ' ' A' ' 29' ' ' PHE . 88.7 m -95.77 135.9 36.88 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.603 -179.452 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.528 ' HA ' ' O ' ' A' ' 3' ' ' CYS . 7.1 p -117.2 138.36 51.74 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 109.754 -0.462 . . . . 0.0 109.754 178.839 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.456 ' HD2' ' O ' ' A' ' 28' ' ' LYS . 7.5 pttp -160.09 177.48 10.66 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.361 0.601 . . . . 0.0 110.838 -179.359 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.451 ' H ' ' CD ' ' A' ' 46' ' ' GLU . 0.4 OUTLIER -82.51 132.53 35.2 Favored 'General case' 0 C--N 1.312 -1.033 0 CA-C-N 114.384 -1.28 . . . . 0.0 112.488 -179.118 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.257 1.452 0 CA-C-O 117.592 -1.194 . . . . 0.0 109.008 177.319 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 25.8 m . . . . . 0 N--CA 1.454 -0.256 0 CA-C-O 121.37 0.605 . . . . 0.0 110.071 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 94.0 m -97.72 146.11 25.68 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.435 -179.52 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.596 ' HA ' ' O ' ' A' ' 43' ' ' CYS . 24.3 pttm -150.12 138.79 20.75 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.276 0.56 . . . . 0.0 111.399 179.65 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -161.44 149.99 15.76 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 114.631 -1.168 . . . . 0.0 108.473 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.643 ' OE1' ' HD3' ' A' ' 40' ' ' ARG . 7.5 mt-10 -62.55 143.32 57.36 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.705 0.288 . . . . 0.0 110.582 -179.04 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 34.9 t -56.11 129.35 73.24 Favored Pre-proline 0 C--N 1.325 -0.475 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.073 -179.491 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -52.71 -41.49 69.03 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 123.154 2.569 . . . . 0.0 112.489 -179.036 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 37.7 p -93.66 50.52 1.47 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.584 179.335 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 6.4 t-105 -155.9 135.02 12.11 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.03 0.443 . . . . 0.0 110.562 -179.502 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -150.96 -28.18 0.2 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.63 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.3 m -72.64 175.31 6.49 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.327 -0.852 . . . . 0.0 112.626 -178.119 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.437 HG13 ' HB3' ' A' ' 39' ' ' ARG . 86.2 t -78.18 126.53 38.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.202 -0.908 . . . . 0.0 111.088 -179.657 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.417 ' HB3' ' HG3' ' A' ' 39' ' ' ARG . 0.1 OUTLIER -75.54 137.75 41.06 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.442 179.742 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 61.6 mt -98.67 -38.71 7.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.507 179.447 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.654 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 46.2 t30 -144.63 157.25 44.29 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.394 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 58.7 tttm -63.82 -33.56 75.96 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 -178.62 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.721 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 88.4 tttt -51.39 -57.58 13.73 Favored Pre-proline 0 N--CA 1.472 0.637 0 N-CA-C 112.2 0.444 . . . . 0.0 112.2 -178.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.721 ' HD3' ' HB3' ' A' ' 18' ' ' LYS . 72.3 Cg_exo -52.33 -40.51 70.35 Favored 'Trans proline' 0 C--N 1.359 1.093 0 C-N-CA 122.335 2.023 . . . . 0.0 111.984 179.297 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 46.0 t -62.94 -49.45 74.7 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.363 179.557 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 89.2 t -57.9 -38.48 66.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.769 179.281 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.74 -46.32 88.61 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.84 0.352 . . . . 0.0 110.441 179.269 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.599 ' HA ' ' HE2' ' A' ' 26' ' ' LYS . 4.6 t -62.07 -44.52 96.51 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.636 0.732 . . . . 0.0 109.772 179.174 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 71.2 m -66.17 -42.3 89.13 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.17 -0.923 . . . . 0.0 112.004 -179.647 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -62.23 -45.76 91.88 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.824 -0.171 . . . . 0.0 111.012 -179.366 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.599 ' HE2' ' HA ' ' A' ' 23' ' ' CYS . 52.9 pttt -66.64 -29.04 68.97 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.87 0.367 . . . . 0.0 110.228 178.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -80.66 7.39 10.27 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.508 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.9 ttpt 72.72 36.08 0.99 Allowed 'General case' 0 CA--C 1.54 0.595 0 CA-C-O 121.369 0.604 . . . . 0.0 111.886 178.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 42.5 m-85 -113.46 146.63 39.26 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 177.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -71.77 -43.73 65.23 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 112.67 0.619 . . . . 0.0 112.67 -178.132 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -132.71 163.73 28.34 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.26 0.553 . . . . 0.0 111.589 -178.31 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -145.07 127.36 2.85 Favored Glycine 0 N--CA 1.44 -1.057 0 N-CA-C 109.97 -1.252 . . . . 0.0 109.97 178.129 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 33.1 p-80 -135.47 132.23 37.11 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.162 0.506 . . . . 0.0 110.968 -178.651 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 36.0 m -74.1 129.54 38.05 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.839 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.852 ' HB2' HD13 ' A' ' 42' ' ' LEU . 28.3 t -66.28 166.25 12.47 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.373 -179.376 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -88.82 -24.82 22.48 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.575 179.672 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.428 ' C ' ' H ' ' A' ' 39' ' ' ARG . 9.2 mt -69.98 -104.5 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.535 -178.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.447 HD23 ' HE ' ' A' ' 40' ' ' ARG . 22.3 tp -79.05 13.34 1.82 Allowed 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 121.461 0.648 . . . . 0.0 110.775 -179.658 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.448 ' HA ' ' O ' ' A' ' 35' ' ' SER . 21.9 tpt180 59.44 29.11 18.63 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.012 -0.994 . . . . 0.0 110.688 179.682 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.643 ' HD3' ' OE1' ' A' ' 6' ' ' GLU . 44.3 mtt-85 -71.72 146.77 47.96 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.866 179.557 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.566 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 35.9 t -78.57 108.1 11.72 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -178.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.852 HD13 ' HB2' ' A' ' 35' ' ' SER . 9.8 mp -93.55 122.18 35.72 Favored 'General case' 0 CA--C 1.52 -0.178 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 178.28 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.596 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 82.1 m -97.16 129.35 44.54 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.661 -179.24 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.476 HG23 ' HB3' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -110.65 146.27 36.49 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.513 179.227 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.438 ' HZ3' ' HB2' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -161.5 169.39 21.91 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.081 0.467 . . . . 0.0 110.806 179.606 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.64 152.47 29.98 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.68 177.648 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 24.5 p . . . . . 0 C--O 1.252 1.223 0 CA-C-O 117.421 -1.276 . . . . 0.0 109.042 179.847 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.0 m . . . . . 0 N--CA 1.451 -0.405 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.421 ' O ' ' HA ' ' A' ' 44' ' ' THR . 29.5 m -89.98 132.84 35.14 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.016 0.436 . . . . 0.0 111.217 -179.373 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.55 ' HD2' ' N ' ' A' ' 5' ' ' ALA . 0.4 OUTLIER -122.2 131.27 53.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.738 -179.666 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.55 ' N ' ' HD2' ' A' ' 4' ' ' LYS . . . -160.77 134.52 6.88 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 178.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.531 ' OE2' ' HG ' ' A' ' 42' ' ' LEU . 10.0 mp0 -65.52 139.78 58.51 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 -179.62 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 36.8 t -52.85 124.67 36.75 Favored Pre-proline 0 C--N 1.323 -0.554 0 O-C-N 123.511 0.507 . . . . 0.0 110.216 -179.306 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -54.77 -42.78 65.41 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.947 2.432 . . . . 0.0 112.35 -178.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 23.0 p -91.14 46.32 1.31 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.722 179.368 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 37.4 t-105 -142.59 121.56 12.82 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.13 0.491 . . . . 0.0 111.141 -179.589 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -150.63 57.27 0.93 Allowed 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 178.729 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 46.1 m -151.23 176.7 10.96 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.542 -178.716 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.453 HG11 ' HG2' ' A' ' 39' ' ' ARG . 76.0 t -78.65 117.07 23.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.409 -179.44 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.712 ' SG ' ' HB2' ' A' ' 20' ' ' CYS . 10.9 t -89.36 116.54 27.63 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.817 -0.628 . . . . 0.0 109.465 179.325 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 63.7 mt -113.83 -52.56 5.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 121.053 0.454 . . . . 0.0 110.318 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.553 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 51.2 t30 -91.23 143.69 26.39 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.437 179.666 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 25.1 tptp -61.47 -42.47 98.83 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.693 -0.685 . . . . 0.0 112.445 -178.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.623 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 88.6 tttt -51.23 -55.5 28.05 Favored Pre-proline 0 CA--C 1.542 0.662 0 N-CA-C 113.625 0.972 . . . . 0.0 113.625 -178.055 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.623 ' HD3' ' HB3' ' A' ' 18' ' ' LYS . 92.4 Cg_exo -49.15 -45.48 29.43 Favored 'Trans proline' 0 C--N 1.357 0.99 0 C-N-CA 122.469 2.112 . . . . 0.0 112.766 -179.696 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.712 ' HB2' ' SG ' ' A' ' 14' ' ' CYS . 21.2 t -65.65 -49.24 69.36 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.718 -0.673 . . . . 0.0 110.648 -179.835 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.405 HG21 ' OD1' ' A' ' 31' ' ' ASP . 65.1 t -57.07 -39.05 63.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.692 179.386 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.496 ' O ' ' HG2' ' A' ' 26' ' ' LYS . . . -62.98 -49.56 74.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.538 179.386 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.521 ' O ' ' HG3' ' A' ' 26' ' ' LYS . 4.9 t -60.6 -44.43 96.29 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-O 121.505 0.669 . . . . 0.0 109.896 179.335 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.547 ' SG ' ' HA3' ' A' ' 32' ' ' GLY . 83.3 m -66.6 -37.93 85.92 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.865 -179.84 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.42 -45.4 87.71 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 121.221 -0.192 . . . . 0.0 110.835 -179.239 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.521 ' HG3' ' O ' ' A' ' 23' ' ' CYS . 13.4 ptmt -67.11 -30.39 70.4 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 121.063 0.459 . . . . 0.0 109.763 178.151 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.26 -6.29 47.03 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.844 179.058 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.611 ' HB2' ' NZ ' ' A' ' 28' ' ' LYS . 1.6 ttmp? 78.93 36.02 0.18 Allowed 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 123.902 0.881 . . . . 0.0 111.718 179.21 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.408 ' CG ' ' HB3' ' A' ' 43' ' ' CYS . 25.1 m-85 -109.28 149.04 30.04 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 178.231 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 23.7 t -61.18 -48.51 81.2 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.076 0.399 . . . . 0.0 112.076 -178.454 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.405 ' OD1' HG21 ' A' ' 21' ' ' VAL . 34.9 t70 -156.11 153.56 29.54 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.794 0.331 . . . . 0.0 111.52 -179.119 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.547 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -121.51 144.38 16.49 Favored Glycine 0 N--CA 1.447 -0.623 0 CA-C-N 115.753 -0.658 . . . . 0.0 112.211 179.723 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.466 ' HE1' HG23 ' A' ' 44' ' ' THR . 24.0 p-80 -135.64 133.67 38.43 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.762 0.315 . . . . 0.0 110.734 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.434 ' HB3' ' HB3' ' A' ' 14' ' ' CYS . 43.2 m -66.79 132.9 49.03 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.323 -179.632 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.954 ' HB2' HD12 ' A' ' 42' ' ' LEU . 37.3 t -77.02 156.13 32.06 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.572 179.583 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 48.7 tttm -88.07 -25.86 22.84 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.305 179.207 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.453 ' HB ' ' H ' ' A' ' 38' ' ' LEU . 10.3 mt -68.85 -102.16 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.06 -179.267 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.453 ' H ' ' HB ' ' A' ' 37' ' ' ILE . 21.4 tp -82.98 13.81 3.73 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.46 0.647 . . . . 0.0 110.723 -179.742 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.555 ' HA ' ' O ' ' A' ' 35' ' ' SER . 0.2 OUTLIER 58.26 29.06 17.5 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.048 -0.978 . . . . 0.0 111.911 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 80.2 mtt-85 -72.85 150.57 42.56 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.985 -0.286 . . . . 0.0 110.446 178.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.434 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 26.0 t -80.72 106.31 12.63 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.559 -0.291 . . . . 0.0 110.308 179.75 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.954 HD12 ' HB2' ' A' ' 35' ' ' SER . 10.7 mp -87.21 119.57 27.59 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.119 179.668 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.408 ' HB3' ' CG ' ' A' ' 29' ' ' PHE . 82.6 m -98.69 135.72 39.78 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-O 120.928 0.394 . . . . 0.0 110.428 179.703 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.466 HG23 ' HE1' ' A' ' 33' ' ' HIS . 0.5 OUTLIER -123.17 141.04 52.39 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.23 179.579 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.881 ' HB2' ' HZ2' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -155.83 173.62 16.49 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.629 0.728 . . . . 0.0 111.143 -179.335 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 11.0 pm0 -78.35 147.25 34.25 Favored 'General case' 0 C--N 1.31 -1.14 0 CA-C-N 113.906 -1.497 . . . . 0.0 110.878 -179.5 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 30.0 p . . . . . 0 C--O 1.254 1.316 0 CA-C-O 117.731 -1.128 . . . . 0.0 108.422 179.583 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.0 m . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 121.078 0.466 . . . . 0.0 109.977 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 58.2 m -90.07 133.46 34.83 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.734 -0.667 . . . . 0.0 111.589 -178.42 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.54 ' HD2' ' N ' ' A' ' 5' ' ' ALA . 0.5 OUTLIER -134.93 131.02 36.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.885 -179.461 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.54 ' N ' ' HD2' ' A' ' 4' ' ' LYS . . . -156.88 141.61 16.89 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.427 179.314 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.403 ' OE1' HD12 ' A' ' 42' ' ' LEU . 2.8 mm-40 -64.75 139.53 58.77 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 -179.835 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.454 ' HB2' ' SG ' ' A' ' 43' ' ' CYS . 34.6 t -57.13 123.16 58.66 Favored Pre-proline 0 C--N 1.322 -0.603 0 O-C-N 123.253 0.346 . . . . 0.0 110.313 -179.5 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -58.39 -41.77 62.35 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.831 2.354 . . . . 0.0 111.904 -179.395 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 40.8 p -87.19 46.27 1.36 Allowed 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.543 179.396 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 50.6 t-105 -144.43 124.54 13.65 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.672 -178.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -150.31 60.06 0.96 Allowed 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 179.208 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 57.7 m -160.45 162.51 33.2 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.349 -178.626 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 95.2 t -78.93 127.35 39.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 178.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.406 ' HB3' ' HG3' ' A' ' 39' ' ' ARG . 5.3 t -68.55 135.19 51.16 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.258 0.551 . . . . 0.0 112.082 -178.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 51.2 mm -105.01 -40.08 5.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.676 178.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.646 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 20.5 t-20 -140.69 156.02 46.33 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.467 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 57.8 tttm -63.71 -34.56 78.13 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 111.97 0.359 . . . . 0.0 111.97 -179.14 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.689 ' HB2' ' HD3' ' A' ' 19' ' ' PRO . 57.9 mtpt -50.27 -57.97 11.21 Favored Pre-proline 0 N--CA 1.472 0.642 0 N-CA-C 112.252 0.464 . . . . 0.0 112.252 -179.16 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.689 ' HD3' ' HB2' ' A' ' 18' ' ' LYS . 81.3 Cg_exo -50.55 -41.13 53.93 Favored 'Trans proline' 0 C--N 1.359 1.091 0 C-N-CA 122.392 2.061 . . . . 0.0 112.177 179.222 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 47.8 t -64.46 -50.09 68.88 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.627 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 60.7 t -58.15 -41.2 80.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.47 179.326 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.04 -42.92 99.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.13 0.491 . . . . 0.0 110.169 179.242 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.878 ' HA ' ' HZ3' ' A' ' 26' ' ' LYS . 8.0 t -63.56 -51.57 64.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.647 179.045 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.501 ' SG ' ' HA3' ' A' ' 32' ' ' GLY . 84.3 m -60.5 -39.95 89.6 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.114 -0.948 . . . . 0.0 111.759 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.92 -40.36 96.29 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.738 -179.493 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.878 ' HZ3' ' HA ' ' A' ' 23' ' ' CYS . 6.1 ptpp? -68.34 -29.32 68.03 Favored 'General case' 0 CA--C 1.529 0.166 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 178.883 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -82.81 7.81 14.11 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.096 179.414 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 75.1 tttt 67.7 36.12 3.74 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 115.569 -0.741 . . . . 0.0 112.303 179.081 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -104.21 146.58 28.57 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.257 -0.645 . . . . 0.0 109.257 177.659 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.2 m -57.96 -49.28 77.33 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.254 -0.43 . . . . 0.0 112.114 -178.461 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -157.98 150.42 22.39 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.882 0.372 . . . . 0.0 111.24 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.501 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -113.06 141.39 16.89 Favored Glycine 0 N--CA 1.445 -0.711 0 CA-C-N 115.852 -0.613 . . . . 0.0 112.657 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.559 ' HE1' HG23 ' A' ' 44' ' ' THR . 40.4 p-80 -133.62 129.23 36.64 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.202 0.525 . . . . 0.0 110.22 179.292 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 61.8 m -75.04 142.27 43.8 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.895 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.894 ' HB3' HD13 ' A' ' 42' ' ' LEU . 5.6 p -79.39 -157.03 0.12 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.811 0.339 . . . . 0.0 110.701 179.651 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -129.02 -46.75 1.23 Allowed 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 111.891 0.33 . . . . 0.0 111.891 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.414 HG21 HD11 ' A' ' 37' ' ' ILE . 62.7 mt -61.3 -66.85 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 CA-C-O 120.738 0.304 . . . . 0.0 111.754 -178.812 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.559 ' HB3' ' HG2' ' A' ' 40' ' ' ARG . 28.6 tp -91.78 -12.49 33.67 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.362 0.601 . . . . 0.0 109.779 179.82 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.406 ' HG3' ' HB3' ' A' ' 14' ' ' CYS . 8.2 tpt180 61.08 32.75 19.72 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 114.949 -1.023 . . . . 0.0 110.982 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.559 ' HG2' ' HB3' ' A' ' 38' ' ' LEU . 10.7 ptt85 -83.08 163.23 21.04 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.791 178.321 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 40.3 t -85.2 107.21 17.15 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 -178.482 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.894 HD13 ' HB3' ' A' ' 35' ' ' SER . 10.0 mp -89.98 119.86 30.7 Favored 'General case' 0 C--N 1.334 -0.1 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 177.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.492 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 86.3 m -96.53 136.77 36.58 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-O 120.888 0.375 . . . . 0.0 110.956 -179.814 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.559 HG23 ' HE1' ' A' ' 33' ' ' HIS . 0.1 OUTLIER -123.05 137.79 54.85 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.436 179.241 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 14.4 pttp -162.37 164.14 27.47 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.939 179.506 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -80.67 136.4 36.19 Favored 'General case' 0 C--N 1.313 -0.978 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.872 179.153 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.244 0.766 0 CA-C-O 118.671 -0.681 . . . . 0.0 109.258 178.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.637 ' HA ' ' OXT' ' A' ' 47' ' ' CYS . . . . . . . . 0 N--CA 1.477 0.904 0 CA-C-O 121.095 0.474 . . . . 0.0 110.637 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 12.5 m -152.77 123.8 7.49 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 59.2 m -121.89 138.16 54.51 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.813 0.34 . . . . 0.0 111.167 -179.314 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.592 ' HD2' HD21 ' A' ' 42' ' ' LEU . 12.0 ttpp -131.11 139.47 49.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.674 -179.684 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -158.53 129.71 6.39 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 178.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.623 ' OE1' ' HG ' ' A' ' 42' ' ' LEU . 0.1 OUTLIER -69.26 141.72 54.32 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 -178.452 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.761 ' SG ' ' HB2' ' A' ' 10' ' ' TRP . 0.7 OUTLIER -46.4 122.52 6.73 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.177 0.923 . . . . 0.0 110.199 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -54.4 -45.09 43.62 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.988 2.458 . . . . 0.0 112.404 -178.359 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.9 p -89.52 44.5 1.21 Allowed 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.411 179.063 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.761 ' HB2' ' SG ' ' A' ' 7' ' ' CYS . 23.5 t-105 -136.98 115.54 11.98 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-O 121.058 0.456 . . . . 0.0 111.236 -178.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -150.36 51.44 0.89 Allowed 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.905 0.86 . . . . 0.0 108.806 178.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.4 m -154.0 172.96 16.63 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.136 -0.938 . . . . 0.0 110.077 -179.049 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.468 HG12 ' HG2' ' A' ' 39' ' ' ARG . 85.7 t -78.57 122.86 34.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.133 -179.457 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.545 ' HB3' ' HG3' ' A' ' 39' ' ' ARG . 0.7 OUTLIER -74.24 128.06 34.57 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.806 -0.633 . . . . 0.0 111.025 179.372 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 62.3 mt -98.42 -35.6 5.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.457 179.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.621 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 18.6 t-20 -139.53 152.42 46.9 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.151 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.556 ' O ' HG21 ' A' ' 21' ' ' VAL . 57.6 tttm -64.34 -36.19 83.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.257 -0.429 . . . . 0.0 112.05 -178.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.625 ' HB2' ' HD3' ' A' ' 19' ' ' PRO . 55.5 mtmt -48.69 -56.82 13.08 Favored Pre-proline 0 N--CA 1.472 0.639 0 N-CA-C 112.748 0.647 . . . . 0.0 112.748 -178.826 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.625 ' HD3' ' HB2' ' A' ' 18' ' ' LYS . 91.9 Cg_exo -49.07 -45.47 29.2 Favored 'Trans proline' 0 C--N 1.358 1.058 0 C-N-CA 122.455 2.103 . . . . 0.0 112.087 179.307 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 43.5 t -63.5 -51.83 63.88 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.12 -0.945 . . . . 0.0 110.68 179.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.556 HG21 ' O ' ' A' ' 17' ' ' LYS . 46.8 t -57.14 -37.68 56.97 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.094 179.298 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.06 -48.14 82.67 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.151 178.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 23.1 t -63.02 -49.55 74.18 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-O 121.187 0.518 . . . . 0.0 110.303 179.021 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.661 ' SG ' ' HA3' ' A' ' 32' ' ' GLY . 85.3 m -56.66 -41.36 77.11 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.445 -179.269 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -63.81 -47.09 82.22 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 121.165 -0.214 . . . . 0.0 110.995 179.413 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.56 -12.33 61.31 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 120.615 -0.434 . . . . 0.0 110.832 179.444 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -95.8 -1.21 50.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.342 179.308 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 34.0 ttpt 72.52 49.46 0.2 Allowed 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.582 179.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -121.45 147.82 45.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.374 -0.83 . . . . 0.0 109.057 178.176 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.548 ' OG ' ' HA ' ' A' ' 45' ' ' LYS . 1.4 m -58.89 -47.7 84.01 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -178.393 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -164.19 151.36 11.81 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.779 0.323 . . . . 0.0 110.785 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.661 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -115.03 141.84 17.28 Favored Glycine 0 N--CA 1.446 -0.658 0 CA-C-N 115.959 -0.564 . . . . 0.0 112.342 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.513 ' CE1' HD22 ' A' ' 42' ' ' LEU . 21.1 p80 -133.35 129.88 38.05 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 121.314 0.578 . . . . 0.0 110.42 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 62.8 m -72.49 133.82 45.0 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.37 -179.279 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.937 ' HB2' HD12 ' A' ' 42' ' ' LEU . 28.6 t -70.74 162.96 28.17 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.595 -0.729 . . . . 0.0 111.063 -179.506 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 37.2 ttmt -89.36 -29.85 18.81 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.397 179.177 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.498 ' HB ' ' H ' ' A' ' 38' ' ' LEU . 8.6 mt -69.45 -100.64 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.816 -178.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.498 ' H ' ' HB ' ' A' ' 37' ' ' ILE . 21.4 tp -75.82 2.42 12.34 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-O 121.231 0.538 . . . . 0.0 111.177 -179.138 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.545 ' HG3' ' HB3' ' A' ' 14' ' ' CYS . 23.5 tpt180 63.49 29.75 15.34 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.165 -0.925 . . . . 0.0 111.43 179.115 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.441 ' NE ' HD21 ' A' ' 38' ' ' LEU . 84.3 mtt-85 -71.48 155.85 40.12 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.656 178.741 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.489 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 13.2 t -85.12 102.73 13.5 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.5 179.33 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.937 HD12 ' HB2' ' A' ' 35' ' ' SER . 10.1 mp -88.44 114.45 25.07 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 110.177 -0.305 . . . . 0.0 110.177 179.657 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.454 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 78.0 m -92.88 132.74 36.76 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 179.147 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -121.08 143.6 48.99 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.623 -179.776 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.548 ' HA ' ' OG ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -155.42 171.29 20.13 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.394 0.616 . . . . 0.0 111.379 -179.63 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.527 ' H ' ' CD ' ' A' ' 46' ' ' GLU . 0.4 OUTLIER -78.02 148.24 34.45 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 114.479 -1.237 . . . . 0.0 110.753 179.861 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.637 ' OXT' ' HA ' ' A' ' 1' ' ' ALA . 30.2 p . . . . . 0 C--O 1.244 0.81 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.99 0 N-CA-C 110.195 -0.298 . . . . 0.0 110.195 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.4 m -115.58 110.57 19.41 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 52.1 m -96.07 129.97 43.22 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.429 -179.174 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.776 ' HD2' HD22 ' A' ' 42' ' ' LEU . 6.5 ttpp -114.4 135.63 53.88 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.147 179.216 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -160.29 132.65 6.29 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 179.129 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.583 ' HA ' ' O ' ' A' ' 41' ' ' CYS . 47.7 mp0 -66.72 137.68 56.85 Favored 'General case' 0 N--CA 1.443 -0.814 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 -179.686 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.411 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 31.0 t -51.56 125.59 28.28 Favored Pre-proline 0 C--N 1.322 -0.598 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.503 -178.731 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 7' ' ' CYS . 47.9 Cg_exo -56.47 -43.08 58.86 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.866 2.377 . . . . 0.0 112.406 -178.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 35.9 p -87.82 50.68 2.04 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.815 179.479 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.794 ' HZ2' ' HB2' ' A' ' 14' ' ' CYS . 58.6 t-105 -135.58 115.7 13.32 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.601 -179.577 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 46.9 t0 -150.75 62.97 0.93 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.683 0.754 . . . . 0.0 109.134 179.414 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 56.4 m -158.92 161.94 36.82 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.0 -178.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 60.9 t -77.69 115.46 19.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 179.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.794 ' HB2' ' HZ2' ' A' ' 10' ' ' TRP . 15.9 t -86.55 144.53 27.17 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.613 -0.721 . . . . 0.0 112.399 -178.524 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 70.1 mt -130.76 -61.09 0.84 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.425 0 CA-C-N 115.348 -0.842 . . . . 0.0 108.934 178.384 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.45 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 16.9 t-20 -81.12 146.78 30.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.509 -0.769 . . . . 0.0 109.24 178.688 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.569 ' HD2' ' HB3' ' A' ' 34' ' ' CYS . 35.1 mmtt -77.75 -29.02 50.83 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -178.406 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.571 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 28.0 ttpp -51.27 -51.8 65.16 Favored Pre-proline 0 CA--C 1.539 0.557 0 N-CA-C 112.281 0.474 . . . . 0.0 112.281 -179.645 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.571 ' HD3' ' HB3' ' A' ' 18' ' ' LYS . 99.3 Cg_exo -49.5 -43.09 40.22 Favored 'Trans proline' 0 C--N 1.361 1.191 0 C-N-CA 122.56 2.173 . . . . 0.0 112.04 179.183 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 47.1 t -65.34 -51.8 58.12 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.232 -0.895 . . . . 0.0 111.016 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 85.6 t -53.99 -41.21 48.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.766 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.38 -44.15 95.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.978 0.418 . . . . 0.0 110.362 178.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.63 ' HA ' ' HE2' ' A' ' 26' ' ' LYS . 3.0 t -62.44 -44.15 97.11 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.874 179.114 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.764 ' SG ' ' HA3' ' A' ' 32' ' ' GLY . 74.9 m -66.04 -41.06 91.38 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.797 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.6 ' HE3' ' O ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -62.9 -46.4 87.98 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.607 -0.269 . . . . 0.0 111.283 -179.628 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.63 ' HE2' ' HA ' ' A' ' 23' ' ' CYS . 50.6 pttt -67.1 -29.15 68.82 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.197 178.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.42 ' HB1' ' CD1' ' A' ' 29' ' ' PHE . . . -78.98 4.48 14.19 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.435 179.507 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.403 ' HE3' ' HB2' ' A' ' 28' ' ' LYS . 33.2 ttmt 68.96 39.37 1.82 Allowed 'General case' 0 C--O 1.238 0.467 0 C-N-CA 123.243 0.617 . . . . 0.0 112.051 178.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.42 ' CD1' ' HB1' ' A' ' 27' ' ' ALA . 28.5 m-85 -107.31 148.49 28.95 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 177.86 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.623 ' OG ' ' HA ' ' A' ' 45' ' ' LYS . 1.6 m -55.6 -41.84 73.98 Favored 'General case' 0 C--N 1.329 -0.315 0 O-C-N 123.342 0.401 . . . . 0.0 111.057 -178.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -172.36 170.75 4.93 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 178.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.764 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -141.02 152.93 23.53 Favored Glycine 0 C--N 1.314 -0.664 0 C-N-CA 120.546 -0.835 . . . . 0.0 112.879 -178.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 22.9 p80 -135.67 128.75 31.62 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.864 0.84 . . . . 0.0 110.787 -179.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.569 ' HB3' ' HD2' ' A' ' 17' ' ' LYS . 53.6 t -69.07 126.41 29.71 Favored 'General case' 0 C--N 1.31 -1.111 0 CA-C-N 114.476 -1.238 . . . . 0.0 110.221 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.692 ' HB3' HD12 ' A' ' 42' ' ' LEU . 72.7 p -80.64 149.55 29.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.983 0.42 . . . . 0.0 111.059 -179.615 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -87.9 -27.54 22.11 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.83 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 51.9 mt -64.69 -82.59 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.903 -0.59 . . . . 0.0 112.565 -178.596 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.703 HD22 ' HD3' ' A' ' 40' ' ' ARG . 20.1 tp -93.19 3.32 55.87 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -178.133 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.62 ' HB3' ' H ' ' A' ' 14' ' ' CYS . 11.4 mpt_? 62.95 28.78 16.43 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.445 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.703 ' HD3' HD22 ' A' ' 38' ' ' LEU . 57.9 mtm180 -88.33 151.5 22.57 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 178.736 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.583 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 41.5 t -82.1 100.97 10.09 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.587 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.776 HD22 ' HD2' ' A' ' 4' ' ' LYS . 10.7 mp -86.06 113.0 21.78 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 110.266 -0.272 . . . . 0.0 110.266 179.604 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.444 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 66.3 m -97.04 141.6 29.99 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.429 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.9 p -125.75 139.32 53.62 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.247 179.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.623 ' HA ' ' OG ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -150.62 167.83 26.1 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 120.976 0.417 . . . . 0.0 110.529 -179.948 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.516 ' H ' ' CD ' ' A' ' 46' ' ' GLU . 0.4 OUTLIER -78.26 143.07 37.39 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.694 179.943 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 20.8 p . . . . . 0 C--O 1.242 0.674 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 -179.961 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.507 ' O ' ' HA ' ' A' ' 46' ' ' GLU . . . . . . . . 0 N--CA 1.484 1.227 0 N-CA-C 110.302 -0.259 . . . . 0.0 110.302 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.3 m -88.28 122.69 32.09 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 110.086 -0.339 . . . . 0.0 110.086 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 73.1 m -129.06 135.41 48.88 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.022 0.439 . . . . 0.0 111.598 -178.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.5 ' HD2' ' CD2' ' A' ' 42' ' ' LEU . 6.2 ttpp -139.59 138.46 36.21 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.25 179.63 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -162.39 132.42 4.62 Favored 'General case' 0 C--N 1.315 -0.896 0 N-CA-C 108.809 -0.812 . . . . 0.0 108.809 179.007 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.507 ' HG3' HD11 ' A' ' 42' ' ' LEU . 30.8 mp0 -64.45 138.38 58.38 Favored 'General case' 0 N--CA 1.443 -0.816 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 -179.812 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.407 ' HA ' ' HD2' ' A' ' 8' ' ' PRO . 31.5 t -48.52 122.09 10.2 Favored Pre-proline 0 C--N 1.322 -0.611 0 O-C-N 123.853 0.721 . . . . 0.0 110.417 -178.442 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 7' ' ' CYS . 9.5 Cg_endo -54.07 -34.92 79.77 Favored 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 123.326 2.684 . . . . 0.0 112.251 -178.816 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -98.31 47.26 0.99 Allowed 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.225 178.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.479 ' HZ2' ' HA ' ' A' ' 14' ' ' CYS . 11.7 t-105 -156.99 132.68 9.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.97 -179.599 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -147.63 -20.78 0.37 Allowed 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.867 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.1 m -77.48 179.73 6.31 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.521 -0.763 . . . . 0.0 112.753 -177.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 98.2 t -79.27 132.3 32.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.058 -0.974 . . . . 0.0 111.14 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.726 ' H ' ' HB3' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -65.82 132.03 47.73 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.012 179.765 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 53.5 mt -98.53 -27.62 3.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.53 0.681 . . . . 0.0 109.637 179.311 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.577 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 18.3 t-20 -166.99 161.5 15.0 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.46 -0.791 . . . . 0.0 108.959 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 54.7 tttm -63.7 -37.37 87.1 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 111.551 0.204 . . . . 0.0 111.551 -178.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.604 ' HB2' ' HD3' ' A' ' 19' ' ' PRO . 38.6 mtmm -51.15 -57.39 14.1 Favored Pre-proline 0 N--CA 1.471 0.584 0 CA-C-O 119.257 -0.401 . . . . 0.0 112.027 -179.48 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.604 ' HD3' ' HB2' ' A' ' 18' ' ' LYS . 90.2 Cg_exo -48.53 -43.91 31.83 Favored 'Trans proline' 0 C--N 1.359 1.103 0 C-N-CA 122.452 2.101 . . . . 0.0 112.023 178.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 48.9 t -64.36 -50.81 66.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.796 179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.576 ' O ' ' HG2' ' A' ' 25' ' ' LYS . 70.8 t -55.82 -45.0 79.48 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.22 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.589 179.539 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.89 -44.05 91.1 Favored 'General case' 0 C--O 1.24 0.594 0 CA-C-O 121.173 0.511 . . . . 0.0 110.293 179.182 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 4.8 t -60.0 -46.97 87.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.151 178.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.62 ' SG ' ' HA3' ' A' ' 32' ' ' GLY . 78.1 m -66.21 -32.03 73.22 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.098 -0.955 . . . . 0.0 111.514 179.544 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.701 ' HE2' ' HA ' ' A' ' 25' ' ' LYS . 8.7 mmpt? -61.82 -52.06 65.73 Favored 'General case' 0 CA--C 1.518 -0.26 0 N-CA-C 110.182 -0.303 . . . . 0.0 110.182 179.778 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 24.1 pttm -68.96 -25.95 64.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.485 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -78.27 -3.26 41.96 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.925 178.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.42 ' HE3' ' HB2' ' A' ' 28' ' ' LYS . 33.0 ttmt 68.5 56.04 0.48 Allowed 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.639 179.419 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.706 ' HA ' ' HD3' ' A' ' 45' ' ' LYS . 34.1 m-85 -125.05 154.33 41.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.46 178.812 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.707 ' H ' ' HB3' ' A' ' 45' ' ' LYS . 19.9 m -62.84 -50.73 69.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.477 0.18 . . . . 0.0 111.354 -179.218 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -160.71 149.85 16.98 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.532 -0.303 . . . . 0.0 110.57 179.587 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.62 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -114.03 144.23 18.18 Favored Glycine 0 N--CA 1.445 -0.71 0 C-N-CA 121.057 -0.592 . . . . 0.0 112.015 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 24.0 p80 -136.26 129.27 31.27 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 121.316 0.579 . . . . 0.0 110.727 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 37.5 m -70.2 128.83 37.63 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.405 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.803 ' HB3' HD12 ' A' ' 42' ' ' LEU . 24.1 p -75.5 163.07 27.76 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.857 0.36 . . . . 0.0 110.786 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 39.8 ttpt -89.23 -34.74 16.53 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.011 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 69.6 mt -53.08 -56.94 5.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 112.937 0.717 . . . . 0.0 112.937 -178.509 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.414 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 19.7 tp -138.08 19.5 2.8 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.506 0.669 . . . . 0.0 110.902 -179.027 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.726 ' HB3' ' H ' ' A' ' 14' ' ' CYS . 0.6 OUTLIER 55.62 28.5 12.08 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 114.949 -1.023 . . . . 0.0 112.214 -179.922 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 75.3 mtt-85 -71.37 143.84 50.07 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 178.159 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.481 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 43.5 t -76.76 96.49 4.25 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.372 -179.216 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.803 HD12 ' HB3' ' A' ' 35' ' ' SER . 10.8 mp -84.4 114.97 22.28 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 179.117 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.44 ' HB3' ' CG ' ' A' ' 29' ' ' PHE . 81.7 m -92.81 133.59 35.9 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 179.361 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -123.78 140.23 53.19 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.279 0.562 . . . . 0.0 111.954 -179.065 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.707 ' HB3' ' H ' ' A' ' 30' ' ' SER . 61.3 pttt -161.52 -156.23 0.43 Allowed 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.118 -0.946 . . . . 0.0 108.675 178.706 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.507 ' HA ' ' O ' ' A' ' 1' ' ' ALA . 0.4 OUTLIER -129.46 143.48 50.85 Favored 'General case' 0 N--CA 1.444 -0.742 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 178.894 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 15.6 p . . . . . 0 C--O 1.245 0.851 0 CA-C-O 118.849 -0.596 . . . . 0.0 109.817 -179.215 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.406 ' HB3' ' H ' ' A' ' 2' ' ' THR . . . . . . . . 0 N--CA 1.477 0.918 0 N-CA-C 110.482 -0.192 . . . . 0.0 110.482 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.406 ' H ' ' HB3' ' A' ' 1' ' ' ALA . 17.9 m -145.36 114.21 6.88 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.093 0.473 . . . . 0.0 110.103 -179.831 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 64.7 m -95.27 139.41 31.62 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.814 -179.261 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.507 ' HA ' ' O ' ' A' ' 43' ' ' CYS . 31.5 ttmt -132.6 132.19 42.24 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.5 -179.18 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -167.08 145.2 4.92 Favored 'General case' 0 C--N 1.322 -0.619 0 O-C-N 123.756 0.66 . . . . 0.0 109.226 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.459 ' HA ' ' O ' ' A' ' 41' ' ' CYS . 2.3 mp0 -64.08 146.4 54.25 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 -179.817 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 31.6 t -59.65 126.62 83.29 Favored Pre-proline 0 C--N 1.321 -0.669 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.062 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -54.17 -38.6 87.85 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 123.061 2.507 . . . . 0.0 112.229 -179.18 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 22.7 p -97.36 44.1 1.06 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.098 179.621 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.606 ' HH2' ' HB2' ' A' ' 19' ' ' PRO . 25.1 t-105 -146.41 116.36 7.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.008 0.432 . . . . 0.0 111.451 -179.576 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -151.11 67.76 0.92 Allowed 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.912 0.863 . . . . 0.0 108.753 177.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 48.8 m -156.78 168.98 25.81 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 114.988 -1.005 . . . . 0.0 109.607 -178.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 58.0 t -77.92 126.07 37.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.08 0.467 . . . . 0.0 110.714 -179.627 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -74.42 133.39 42.42 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.78 -179.696 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 47.5 mm -100.71 -38.29 6.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.435 178.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.701 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 20.3 t-20 -144.67 160.72 40.74 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 179.128 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.576 ' HE3' ' CG2' ' A' ' 21' ' ' VAL . 8.5 ttpt -72.73 -30.18 63.96 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.44 0.533 . . . . 0.0 112.44 -178.588 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.725 ' CG ' ' HD3' ' A' ' 19' ' ' PRO . 14.4 ptmm? -53.19 -45.73 98.16 Favored Pre-proline 0 CA--C 1.548 0.869 0 N-CA-C 113.385 0.883 . . . . 0.0 113.385 -178.408 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.725 ' HD3' ' CG ' ' A' ' 18' ' ' LYS . 49.4 Cg_exo -58.96 -40.62 69.71 Favored 'Trans proline' 0 C--N 1.362 1.253 0 C-N-CA 121.746 1.631 . . . . 0.0 111.071 178.53 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.3 t -62.25 -48.65 79.02 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 114.942 -1.026 . . . . 0.0 109.974 179.371 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.576 ' CG2' ' HE3' ' A' ' 17' ' ' LYS . 61.1 t -57.58 -38.03 61.77 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.148 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.885 179.13 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.502 ' O ' ' HG2' ' A' ' 26' ' ' LYS . . . -63.04 -48.58 78.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.217 179.382 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.572 ' O ' ' HG3' ' A' ' 26' ' ' LYS . 5.9 t -60.29 -45.58 92.87 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 121.551 0.691 . . . . 0.0 109.538 178.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.547 ' SG ' ' HA3' ' A' ' 32' ' ' GLY . 71.8 m -64.88 -38.4 90.83 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.222 -0.899 . . . . 0.0 111.659 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -63.81 -46.52 84.75 Favored 'General case' 0 C--N 1.329 -0.319 0 O-C-N 122.477 -0.14 . . . . 0.0 111.059 -179.301 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.572 ' HG3' ' O ' ' A' ' 23' ' ' CYS . 10.4 ptmt -66.92 -27.83 67.81 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 120.816 0.341 . . . . 0.0 110.267 178.731 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -84.58 10.42 11.1 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-O 121.039 0.447 . . . . 0.0 110.674 179.059 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 29.3 tptt 64.29 61.96 0.86 Allowed 'General case' 0 CA--C 1.537 0.46 0 CA-C-O 122.172 0.987 . . . . 0.0 111.533 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.709 ' HA ' ' HB3' ' A' ' 45' ' ' LYS . 70.3 m-85 -132.39 147.56 52.39 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 177.747 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.443 ' OG ' ' HA ' ' A' ' 45' ' ' LYS . 4.3 m -64.45 -48.75 74.11 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 111.971 0.36 . . . . 0.0 111.971 -178.31 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -160.48 139.54 10.57 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.473 -178.611 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.547 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -105.62 141.74 15.43 Favored Glycine 0 N--CA 1.447 -0.628 0 CA-C-N 115.587 -0.733 . . . . 0.0 112.363 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 19.8 p-80 -125.61 131.26 52.72 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 120.933 0.397 . . . . 0.0 110.504 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 87.1 m -67.07 139.43 57.57 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.35 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.783 ' O ' ' HA ' ' A' ' 39' ' ' ARG . 34.6 t -72.69 148.74 44.45 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.487 179.372 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -89.46 -38.4 14.08 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.756 0.312 . . . . 0.0 110.961 -179.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 48.9 mt -67.62 -72.19 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.022 -0.535 . . . . 0.0 112.376 -178.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 18.1 tp -86.96 -9.85 54.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.153 0.501 . . . . 0.0 110.947 -178.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.783 ' HA ' ' O ' ' A' ' 35' ' ' SER . 10.8 tpt180 64.82 33.34 10.25 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.144 -0.934 . . . . 0.0 111.558 179.756 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.543 ' H ' ' HB3' ' A' ' 35' ' ' SER . 57.8 mtm180 -83.79 -145.54 0.08 Allowed 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.205 178.123 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.459 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 8.9 t -137.71 114.33 10.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.828 0.347 . . . . 0.0 111.202 -179.795 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.421 HD13 ' HB2' ' A' ' 35' ' ' SER . 10.2 mp -101.41 125.15 48.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.733 179.281 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.507 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 59.4 m -99.75 137.49 38.15 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-O 120.821 0.343 . . . . 0.0 111.825 -178.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -123.34 143.58 50.0 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.008 178.835 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.709 ' HB3' ' HA ' ' A' ' 29' ' ' PHE . 1.0 OUTLIER -160.61 178.32 9.62 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.618 0.723 . . . . 0.0 112.023 -179.888 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.461 ' OE1' ' HB2' ' A' ' 45' ' ' LYS . 5.0 pm0 -79.28 140.64 37.54 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 113.962 -1.472 . . . . 0.0 111.263 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 31.5 p . . . . . 0 C--O 1.242 0.684 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 178.927 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.567 ' HA ' ' O ' ' A' ' 47' ' ' CYS . . . . . . . . 0 N--CA 1.478 0.97 0 CA-C-O 121.04 0.448 . . . . 0.0 110.482 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 16.9 m -152.09 124.99 8.52 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.275 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 16.8 m -103.88 132.83 49.75 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.583 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.563 ' HD2' ' N ' ' A' ' 5' ' ' ALA . 0.4 OUTLIER -133.29 132.31 41.23 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 -179.694 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.563 ' N ' ' HD2' ' A' ' 4' ' ' LYS . . . -161.57 135.75 6.88 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 179.187 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.476 ' HG3' HD13 ' A' ' 42' ' ' LEU . 8.9 mp0 -69.07 145.43 53.46 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 -179.821 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.766 ' SG ' ' HB2' ' A' ' 10' ' ' TRP . 0.5 OUTLIER -48.6 124.24 11.93 Favored Pre-proline 0 C--N 1.322 -0.622 0 O-C-N 123.841 0.713 . . . . 0.0 110.336 179.674 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_endo -55.35 -43.89 54.09 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.908 2.405 . . . . 0.0 111.962 -178.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.1 p -91.97 48.56 1.44 Allowed 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.225 178.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.766 ' HB2' ' SG ' ' A' ' 7' ' ' CYS . 17.5 t-105 -137.69 116.74 12.49 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 121.308 0.575 . . . . 0.0 111.569 -178.837 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 47.9 p-10 -132.03 -4.18 3.54 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.134 179.497 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.6 t -100.6 -169.21 1.68 Allowed 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.79 -178.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 86.5 t -88.47 128.4 40.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.338 -0.846 . . . . 0.0 111.495 -179.464 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.46 ' HA ' ' HZ2' ' A' ' 10' ' ' TRP . 35.5 t -81.63 103.22 11.19 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 178.867 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 62.8 mt -98.4 -53.83 7.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-O 120.876 0.37 . . . . 0.0 110.705 -178.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.528 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 14.7 t-20 -101.7 144.74 30.03 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.075 179.795 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.527 ' HG2' HG22 ' A' ' 21' ' ' VAL . 64.6 tttp -67.14 -33.6 75.79 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.809 -179.538 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.681 ' HB2' ' HD3' ' A' ' 19' ' ' PRO . 35.1 mmtp -52.52 -57.33 16.1 Favored Pre-proline 0 CA--C 1.539 0.525 0 N-CA-C 112.429 0.529 . . . . 0.0 112.429 -179.234 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.681 ' HD3' ' HB2' ' A' ' 18' ' ' LYS . 82.7 Cg_exo -51.32 -44.15 44.93 Favored 'Trans proline' 0 C--N 1.357 0.992 0 C-N-CA 122.533 2.156 . . . . 0.0 112.296 179.505 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 37.0 t -63.96 -52.41 59.79 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.711 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.527 HG22 ' HG2' ' A' ' 17' ' ' LYS . 92.7 t -57.52 -37.02 55.87 Favored 'Isoleucine or valine' 0 C--O 1.232 0.184 0 CA-C-O 120.809 0.338 . . . . 0.0 110.457 179.28 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.02 -44.73 96.98 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.156 178.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.626 ' O ' ' HG3' ' A' ' 26' ' ' LYS . 14.1 t -67.95 -43.96 77.9 Favored 'General case' 0 CA--C 1.514 -0.419 0 CA-C-O 121.469 0.652 . . . . 0.0 110.285 178.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.485 ' SG ' ' HA3' ' A' ' 32' ' ' GLY . 75.2 m -59.64 -44.29 93.56 Favored 'General case' 0 C--N 1.311 -1.07 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.415 -179.164 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 17.9 ptpt -66.52 -38.39 87.09 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.52 -0.472 . . . . 0.0 111.287 179.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.626 ' HG3' ' O ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -69.2 -22.19 63.9 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 120.336 -0.546 . . . . 0.0 110.285 178.937 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -96.79 9.65 41.15 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 121.183 0.516 . . . . 0.0 110.547 179.092 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 78.1 tttt 64.68 54.26 1.43 Allowed 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 115.302 -0.863 . . . . 0.0 112.345 179.294 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.702 ' HA ' ' HD3' ' A' ' 45' ' ' LYS . 35.3 m-85 -122.23 146.74 46.98 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 177.716 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.627 ' H ' ' HB3' ' A' ' 45' ' ' LYS . 6.3 m -63.95 -45.7 88.01 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 112.977 0.732 . . . . 0.0 112.977 -178.054 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.491 ' CG ' ' HZ3' ' A' ' 17' ' ' LYS . 31.9 t70 -154.82 153.42 31.14 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.893 0.377 . . . . 0.0 111.854 -179.241 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.485 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -119.63 142.04 16.05 Favored Glycine 0 N--CA 1.447 -0.621 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.862 179.382 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 30.8 p80 -144.86 137.42 26.29 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.031 0.443 . . . . 0.0 111.277 -179.283 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 27.3 m -69.91 137.07 51.28 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.826 179.317 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.912 ' HB3' HD11 ' A' ' 42' ' ' LEU . 13.0 p -82.38 171.26 14.39 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.973 0.416 . . . . 0.0 111.292 -179.713 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -89.36 -31.32 17.83 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.43 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.429 ' HB ' ' H ' ' A' ' 38' ' ' LEU . 3.5 mt -67.72 -105.88 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 CA-C-O 121.25 0.548 . . . . 0.0 112.172 -178.347 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.429 ' H ' ' HB ' ' A' ' 37' ' ' ILE . 22.8 tp -73.0 4.03 4.71 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.223 -179.033 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.503 ' HD2' ' O ' ' A' ' 35' ' ' SER . 20.6 tpt180 62.37 32.64 16.82 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.191 -0.913 . . . . 0.0 110.695 179.818 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 68.9 mtt-85 -75.59 153.63 37.22 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.719 178.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.474 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 3.8 t -78.25 107.53 10.91 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 178.578 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.912 HD11 ' HB3' ' A' ' 35' ' ' SER . 9.8 mp -94.42 121.16 35.67 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.651 -0.249 . . . . 0.0 110.991 -179.824 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 72.7 m -96.13 134.42 39.22 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 178.345 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -129.02 141.72 51.14 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 120.967 0.413 . . . . 0.0 111.614 -178.781 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.702 ' HD3' ' HA ' ' A' ' 29' ' ' PHE . 59.9 pttt -160.72 157.26 26.67 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.715 179.459 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.6 pm0 -77.62 146.49 36.13 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-O 121.015 0.436 . . . . 0.0 110.555 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.567 ' O ' ' HA ' ' A' ' 1' ' ' ALA . 28.1 p . . . . . 0 C--O 1.252 1.218 0 CA-C-O 117.581 -1.199 . . . . 0.0 109.212 -179.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.627 ' HA ' ' OXT' ' A' ' 47' ' ' CYS . . . . . . . . 0 N--CA 1.479 0.995 0 CA-C-O 121.081 0.467 . . . . 0.0 110.518 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 11.4 m -152.23 125.14 8.51 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.431 ' O ' ' HA ' ' A' ' 44' ' ' THR . 34.6 m -116.87 132.97 56.56 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.019 0.438 . . . . 0.0 111.784 -178.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.545 ' HD2' ' N ' ' A' ' 5' ' ' ALA . 0.4 OUTLIER -113.29 128.35 56.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.518 -0.764 . . . . 0.0 109.607 179.611 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.545 ' N ' ' HD2' ' A' ' 4' ' ' LYS . . . -158.49 125.98 5.04 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 178.628 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.463 ' HG2' ' CD ' ' A' ' 40' ' ' ARG . 52.2 mp0 -63.25 143.44 57.79 Favored 'General case' 0 N--CA 1.446 -0.632 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 -179.656 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 35.8 t -51.89 128.08 36.35 Favored Pre-proline 0 C--N 1.324 -0.543 0 O-C-N 123.545 0.528 . . . . 0.0 110.54 -178.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_exo -52.47 -42.56 60.57 Favored 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 123.025 2.483 . . . . 0.0 112.413 -178.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 40.6 p -92.09 49.74 1.57 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.135 179.014 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 7.5 t-105 -154.28 135.98 14.41 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.478 -179.259 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -150.11 -29.84 0.22 Allowed 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.464 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 18.3 m -71.99 174.28 7.25 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.202 -0.908 . . . . 0.0 113.061 -177.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.444 HG12 ' HB3' ' A' ' 39' ' ' ARG . 69.0 t -78.1 130.23 36.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 114.868 -1.06 . . . . 0.0 110.91 -179.775 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -84.86 135.58 34.02 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.602 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.6 mp -99.82 -50.94 10.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.058 178.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.627 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 27.3 t30 -122.44 151.2 41.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.112 -179.452 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.455 ' HZ2' ' CG ' ' A' ' 31' ' ' ASP . 63.0 tttp -63.21 -33.91 76.52 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 -178.813 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.548 ' HB2' ' HD3' ' A' ' 19' ' ' PRO . 42.5 mmtm -50.52 -57.73 12.23 Favored Pre-proline 0 N--CA 1.474 0.732 0 N-CA-C 112.44 0.533 . . . . 0.0 112.44 -179.035 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.627 ' HD2' ' O ' ' A' ' 16' ' ' ASN . 85.8 Cg_exo -51.14 -42.3 53.95 Favored 'Trans proline' 0 C--N 1.358 1.026 0 C-N-CA 122.421 2.081 . . . . 0.0 112.136 179.225 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.7 t -62.81 -52.24 63.92 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.786 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.44 HG21 ' HG2' ' A' ' 17' ' ' LYS . 90.3 t -56.45 -41.43 72.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.836 179.619 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.46 -44.88 95.42 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 120.99 0.424 . . . . 0.0 110.539 179.327 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.616 ' HA ' ' HE2' ' A' ' 26' ' ' LYS . 2.9 t -63.44 -44.86 93.31 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 121.555 0.693 . . . . 0.0 109.791 179.16 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.461 ' SG ' ' HA3' ' A' ' 32' ' ' GLY . 79.0 m -65.44 -39.76 92.45 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.751 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.488 ' HD3' ' HA ' ' A' ' 25' ' ' LYS . 24.3 mmtp -64.92 -44.14 90.48 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 111.523 0.194 . . . . 0.0 111.523 -179.603 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.616 ' HE2' ' HA ' ' A' ' 23' ' ' CYS . 62.0 pttt -66.38 -31.43 72.19 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.605 -0.438 . . . . 0.0 110.173 179.213 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.455 ' HB3' ' CE1' ' A' ' 29' ' ' PHE . . . -84.94 4.79 31.9 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-O 120.899 0.381 . . . . 0.0 111.234 179.477 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.493 ' O ' ' HD3' ' A' ' 45' ' ' LYS . 7.8 tmtt? 66.55 70.84 0.4 Allowed 'General case' 0 C--O 1.233 0.201 0 C-N-CA 123.533 0.733 . . . . 0.0 111.386 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.561 ' HA ' ' HB3' ' A' ' 45' ' ' LYS . 60.2 m-85 -134.33 146.12 49.67 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.313 -0.858 . . . . 0.0 108.716 177.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.499 ' OG ' ' HA ' ' A' ' 45' ' ' LYS . 8.7 m -59.53 -46.49 88.7 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 111.841 0.312 . . . . 0.0 111.841 -178.577 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.455 ' CG ' ' HZ2' ' A' ' 17' ' ' LYS . 28.6 t70 -159.76 149.09 17.98 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.9 0.381 . . . . 0.0 110.874 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.461 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -108.38 134.14 12.06 Favored Glycine 0 N--CA 1.442 -0.909 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.927 179.596 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 18.4 p80 -134.42 125.49 27.61 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 121.692 0.758 . . . . 0.0 110.758 179.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 52.8 m -74.11 138.19 43.76 Favored 'General case' 0 C--N 1.307 -1.28 0 CA-C-N 115.093 -0.958 . . . . 0.0 109.982 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.781 ' HB3' HD12 ' A' ' 42' ' ' LEU . 6.4 p -74.18 -159.54 0.08 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.086 0.47 . . . . 0.0 111.779 -178.7 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.436 ' H ' ' HB2' ' A' ' 35' ' ' SER . 41.3 ttmt -125.3 -46.6 1.77 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.476 -179.558 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.7 mp -66.52 -69.76 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 120.734 0.302 . . . . 0.0 111.02 -179.017 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.61 HD21 ' HD3' ' A' ' 40' ' ' ARG . 16.3 tp -81.21 -19.67 42.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.432 0.634 . . . . 0.0 109.327 179.435 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.444 ' HB3' HG12 ' A' ' 13' ' ' VAL . 28.8 tpt180 62.34 23.6 13.99 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 114.715 -1.13 . . . . 0.0 111.443 179.214 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.61 ' HD3' HD21 ' A' ' 38' ' ' LEU . 37.8 ptt180 -82.29 161.91 22.47 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 178.29 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 35.8 t -76.57 107.17 8.66 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 112.916 0.709 . . . . 0.0 112.916 -178.423 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.781 HD12 ' HB3' ' A' ' 35' ' ' SER . 11.2 mp -92.01 123.96 35.75 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 177.672 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.453 ' HB3' ' CG ' ' A' ' 29' ' ' PHE . 70.9 m -102.54 136.55 42.17 Favored 'General case' 0 C--N 1.317 -0.837 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.618 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.431 ' HA ' ' O ' ' A' ' 3' ' ' CYS . 0.7 OUTLIER -122.31 141.04 51.95 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.126 179.414 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.561 ' HB3' ' HA ' ' A' ' 29' ' ' PHE . 50.7 pttt -154.55 -178.87 7.47 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.219 0.533 . . . . 0.0 111.75 -179.646 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.4 ' OE1' ' HB2' ' A' ' 45' ' ' LYS . 2.1 pm0 -79.54 148.85 31.63 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-N 114.612 -1.176 . . . . 0.0 111.286 -179.574 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.627 ' OXT' ' HA ' ' A' ' 1' ' ' ALA . 31.6 p . . . . . 0 C--O 1.245 0.828 0 CA-C-N 115.125 -0.943 . . . . 0.0 108.758 179.273 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.631 ' HA ' ' O ' ' A' ' 47' ' ' CYS . . . . . . . . 0 N--CA 1.478 0.932 0 CA-C-O 121.105 0.478 . . . . 0.0 110.605 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.1 m -152.57 125.7 8.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.264 -0.425 . . . . 0.0 109.905 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 28.0 m -114.8 137.81 51.5 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.818 0.342 . . . . 0.0 111.084 -179.49 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.541 ' HD2' ' N ' ' A' ' 5' ' ' ALA . 0.4 OUTLIER -133.33 129.54 37.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.75 -179.488 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.541 ' N ' ' HD2' ' A' ' 4' ' ' LYS . . . -159.72 135.37 8.46 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.16 -0.682 . . . . 0.0 109.16 178.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.646 ' OE2' ' HG ' ' A' ' 42' ' ' LEU . 8.5 mp0 -65.01 138.62 58.47 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 -179.742 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.412 ' HB3' ' HB2' ' A' ' 10' ' ' TRP . 40.3 t -52.4 126.3 37.53 Favored Pre-proline 0 C--N 1.321 -0.641 0 O-C-N 123.497 0.498 . . . . 0.0 110.577 -178.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -54.43 -42.5 67.34 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 123.032 2.488 . . . . 0.0 112.279 -179.218 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 23.9 p -90.63 46.02 1.3 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.636 179.222 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.412 ' HB2' ' HB3' ' A' ' 7' ' ' CYS . 35.9 t-105 -144.83 119.29 9.65 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.558 -179.578 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -150.34 53.07 0.9 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.779 0.8 . . . . 0.0 109.108 179.364 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.0 p -152.17 171.37 18.02 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.366 -0.833 . . . . 0.0 110.731 -178.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 58.2 t -78.6 132.2 32.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.314 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.828 ' HB2' ' HG3' ' A' ' 39' ' ' ARG . 1.2 m -63.14 130.71 45.81 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.897 -0.592 . . . . 0.0 112.12 -179.702 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 45.2 mm -99.37 -27.67 3.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.602 -0.727 . . . . 0.0 109.213 178.601 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.596 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 20.2 t-20 -166.8 162.1 15.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.227 -0.897 . . . . 0.0 108.857 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.438 ' O ' HG23 ' A' ' 21' ' ' VAL . 55.9 tttm -67.5 -34.11 76.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.285 0.088 . . . . 0.0 110.905 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.561 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 0.1 OUTLIER -51.64 -56.7 18.75 Favored Pre-proline 0 CA--C 1.54 0.576 0 CA-C-N 116.592 -0.276 . . . . 0.0 111.284 -179.493 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.596 ' HD2' ' O ' ' A' ' 16' ' ' ASN . 80.1 Cg_exo -50.96 -44.49 41.68 Favored 'Trans proline' 0 C--N 1.36 1.133 0 C-N-CA 122.495 2.13 . . . . 0.0 111.834 178.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 51.3 t -62.05 -51.73 66.82 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.848 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.438 HG23 ' O ' ' A' ' 17' ' ' LYS . 98.9 t -57.16 -39.63 68.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.68 179.496 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.57 -44.16 97.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.91 0.385 . . . . 0.0 110.486 179.168 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.553 ' O ' ' HG3' ' A' ' 26' ' ' LYS . 4.9 t -63.26 -44.73 94.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.585 0.707 . . . . 0.0 109.394 178.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.593 ' SG ' ' HA3' ' A' ' 32' ' ' GLY . 71.6 m -64.9 -37.35 87.35 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.382 179.744 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.444 ' HD3' ' HA ' ' A' ' 25' ' ' LYS . 18.6 mmtp -65.03 -43.61 91.84 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 121.258 -0.177 . . . . 0.0 111.207 179.697 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.553 ' HG3' ' O ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -68.71 -25.68 64.89 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 178.686 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -84.05 -1.9 55.69 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.925 179.241 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 34.9 ttmt 72.39 45.71 0.34 Allowed 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 123.5 0.72 . . . . 0.0 111.925 179.303 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -115.13 147.79 39.79 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.843 -0.428 . . . . 0.0 109.843 178.462 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.512 ' OG ' ' HA ' ' A' ' 45' ' ' LYS . 1.7 m -57.47 -47.68 81.21 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.388 0.514 . . . . 0.0 112.388 -178.326 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -164.16 144.91 8.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.924 0.392 . . . . 0.0 110.987 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.593 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -107.98 141.16 15.69 Favored Glycine 0 N--CA 1.445 -0.738 0 CA-C-N 115.866 -0.607 . . . . 0.0 112.934 -179.519 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 43.5 p-80 -133.59 131.36 39.57 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.05 0.453 . . . . 0.0 110.153 179.164 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 67.3 m -74.52 140.83 44.77 Favored 'General case' 0 C--N 1.311 -1.089 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.71 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.751 ' HB3' HD11 ' A' ' 42' ' ' LEU . 12.1 p -77.97 -165.12 0.6 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.017 0.437 . . . . 0.0 111.599 -179.248 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.475 ' HA ' ' NH1' ' A' ' 39' ' ' ARG . 23.8 pttm -117.1 -19.06 9.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.745 -179.749 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 16.6 mt -77.99 -100.74 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.804 0.335 . . . . 0.0 110.512 -179.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.406 HD11 ' HA ' ' A' ' 38' ' ' LEU . 26.8 tp -73.44 -2.76 23.76 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.339 0.59 . . . . 0.0 110.367 179.532 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.828 ' HG3' ' HB2' ' A' ' 14' ' ' CYS . 12.9 tpp180 67.27 32.16 6.15 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 114.845 -1.07 . . . . 0.0 110.51 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 82.6 mtt-85 -69.12 152.47 45.12 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.208 178.475 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.409 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 24.9 t -82.19 104.55 12.6 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.787 179.607 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.751 HD11 ' HB3' ' A' ' 35' ' ' SER . 10.8 mp -86.94 117.39 25.63 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 179.158 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 76.6 m -94.51 131.62 40.04 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-O 120.966 0.412 . . . . 0.0 110.573 179.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -115.16 144.55 43.51 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.833 179.252 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.512 ' HA ' ' OG ' ' A' ' 30' ' ' SER . 10.5 ptmm? -157.3 165.01 37.0 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 120.971 0.415 . . . . 0.0 110.589 -179.712 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.499 ' H ' ' CD ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -79.56 145.62 33.04 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.524 179.372 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.631 ' O ' ' HA ' ' A' ' 1' ' ' ALA . 28.6 p . . . . . 0 C--O 1.251 1.173 0 CA-C-O 117.395 -1.288 . . . . 0.0 109.048 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.665 ' HA ' ' O ' ' A' ' 47' ' ' CYS . . . . . . . . 0 N--CA 1.48 1.032 0 CA-C-O 121.023 0.439 . . . . 0.0 110.661 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.5 m -152.65 122.49 6.96 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.206 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 33.5 m -114.77 138.73 50.39 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.788 0.327 . . . . 0.0 110.642 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.546 ' HB2' HG23 ' A' ' 44' ' ' THR . 13.9 ttpp -150.91 121.11 7.24 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.161 -179.117 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -160.48 152.45 20.11 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.232 179.377 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.607 ' HA ' ' O ' ' A' ' 41' ' ' CYS . 24.3 mt-10 -65.45 141.8 58.39 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.81 0.338 . . . . 0.0 110.809 -179.452 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 44.4 t -52.74 126.05 39.85 Favored Pre-proline 0 C--N 1.326 -0.452 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.939 -179.008 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_exo -57.26 -41.71 70.45 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.919 2.413 . . . . 0.0 112.369 -179.344 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 38.8 p -90.99 43.71 1.16 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.032 179.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.532 ' HB2' ' SG ' ' A' ' 23' ' ' CYS . 23.2 t-105 -146.35 123.73 11.65 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.51 -179.716 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.578 ' HA ' ' HD2' ' A' ' 40' ' ' ARG . 11.5 t70 -151.2 59.85 0.9 Allowed 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.722 0.773 . . . . 0.0 108.99 178.822 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 22.5 t -146.66 170.61 16.58 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.171 -0.922 . . . . 0.0 109.466 -179.09 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 57.5 t -77.97 127.67 38.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 121.104 0.478 . . . . 0.0 110.972 -179.53 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.508 ' HB2' ' O ' ' A' ' 40' ' ' ARG . 3.8 t -66.8 119.83 12.52 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.787 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 48.4 mm -99.17 -34.37 4.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.203 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.538 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 5.7 t-20 -159.34 165.99 32.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.837 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 55.9 tttm -64.0 -41.86 97.35 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 -178.494 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.749 ' HG3' ' HD3' ' A' ' 19' ' ' PRO . 1.2 pttm -49.57 -55.33 23.3 Favored Pre-proline 0 N--CA 1.475 0.804 0 N-CA-C 113.539 0.94 . . . . 0.0 113.539 -178.293 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.749 ' HD3' ' HG3' ' A' ' 18' ' ' LYS . 57.9 Cg_exo -54.3 -44.79 46.15 Favored 'Trans proline' 0 C--N 1.356 0.953 0 C-N-CA 121.795 1.663 . . . . 0.0 111.78 179.595 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 41.5 t -61.56 -47.5 85.26 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.262 -0.881 . . . . 0.0 109.913 179.139 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.496 ' O ' ' HG2' ' A' ' 25' ' ' LYS . 71.5 t -56.66 -43.43 78.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.68 178.716 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.39 -45.46 84.5 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.741 179.591 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.532 ' SG ' ' HB2' ' A' ' 10' ' ' TRP . 4.5 t -63.8 -44.49 93.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.442 0.639 . . . . 0.0 109.808 179.055 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.705 ' SG ' ' HA3' ' A' ' 32' ' ' GLY . 70.3 m -63.69 -37.49 87.55 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.617 -0.719 . . . . 0.0 111.439 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.496 ' HG2' ' O ' ' A' ' 21' ' ' VAL . 0.5 OUTLIER -65.77 -45.43 82.55 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 121.277 -0.169 . . . . 0.0 111.104 179.925 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.523 ' HG3' ' O ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -67.31 -26.36 66.48 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 120.65 -0.42 . . . . 0.0 110.445 179.34 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -81.23 -1.48 45.05 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.883 179.462 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 29.0 ttmt 71.07 43.67 0.64 Allowed 'General case' 0 C--O 1.236 0.369 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.598 179.367 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -109.07 150.21 28.15 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 178.109 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.491 ' OG ' ' HA ' ' A' ' 45' ' ' LYS . 9.4 p -60.04 -43.33 95.43 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 120.709 0.29 . . . . 0.0 111.127 -179.168 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -169.55 159.25 8.29 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.686 178.479 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.705 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -121.42 157.65 16.26 Favored Glycine 0 N--CA 1.446 -0.654 0 CA-C-N 115.844 -0.616 . . . . 0.0 112.245 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 32.7 p80 -139.26 145.33 39.06 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.973 0.416 . . . . 0.0 110.692 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 8.2 t -59.29 143.78 48.31 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.17 179.586 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.729 ' HB3' HD12 ' A' ' 42' ' ' LEU . 2.7 p -99.19 -157.27 0.59 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.775 0.321 . . . . 0.0 111.144 -179.746 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.421 ' H ' ' HB2' ' A' ' 35' ' ' SER . 39.9 ttpt -150.32 -39.47 0.14 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.366 -179.778 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 27.6 mt -55.34 -76.93 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 CA-C-O 120.941 0.401 . . . . 0.0 111.034 -179.227 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.519 HD23 ' HD3' ' A' ' 40' ' ' ARG . 15.8 tp -91.44 -11.81 36.54 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 178.846 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.4 ' HA ' ' HD2' ' A' ' 39' ' ' ARG . 10.6 tpt180 64.08 35.53 10.38 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 113.886 -1.506 . . . . 0.0 111.229 179.428 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.578 ' HD2' ' HA ' ' A' ' 11' ' ' ASP . 69.3 mtm180 -87.46 -91.22 0.11 Allowed 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.535 -0.466 . . . . 0.0 111.131 178.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.607 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 4.0 t -176.23 106.76 0.07 Allowed 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 111.863 0.32 . . . . 0.0 111.863 -179.156 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.729 HD12 ' HB3' ' A' ' 35' ' ' SER . 5.6 mp -87.39 121.39 29.77 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 120.709 0.29 . . . . 0.0 110.951 178.369 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.487 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 67.8 m -98.9 140.55 32.9 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.238 178.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.546 HG23 ' HB2' ' A' ' 4' ' ' LYS . 1.2 p -118.27 143.9 46.22 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.017 179.608 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.491 ' HA ' ' OG ' ' A' ' 30' ' ' SER . 17.7 ptmt -160.92 166.77 27.86 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.118 0.485 . . . . 0.0 111.328 -179.74 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -79.46 150.79 31.14 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.008 -0.996 . . . . 0.0 110.324 178.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.665 ' O ' ' HA ' ' A' ' 1' ' ' ALA . 29.4 p . . . . . 0 C--O 1.252 1.202 0 CA-C-O 117.469 -1.253 . . . . 0.0 109.016 179.631 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.935 0 CA-C-O 121.023 0.439 . . . . 0.0 110.595 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 5.8 m -101.71 110.44 22.43 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 179.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.435 ' O ' ' HA ' ' A' ' 44' ' ' THR . 64.5 m -116.84 134.59 54.59 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 112.497 0.554 . . . . 0.0 112.497 -177.678 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.528 ' HD2' ' N ' ' A' ' 5' ' ' ALA . 0.5 OUTLIER -130.09 128.94 42.9 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.576 179.792 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.528 ' N ' ' HD2' ' A' ' 4' ' ' LYS . . . -158.76 128.45 5.71 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 178.836 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.413 ' HA ' ' O ' ' A' ' 41' ' ' CYS . 41.8 mp0 -64.24 140.35 58.86 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 -179.831 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 49.5 t -51.31 125.11 24.9 Favored Pre-proline 0 C--N 1.322 -0.616 0 O-C-N 123.665 0.603 . . . . 0.0 110.448 -179.053 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -53.88 -41.6 73.43 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.914 2.409 . . . . 0.0 112.11 -179.035 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 21.9 p -90.86 43.56 1.15 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.587 179.023 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.654 ' HZ2' ' HA ' ' A' ' 14' ' ' CYS . 10.0 t-105 -150.32 85.91 1.4 Allowed 'General case' 0 N--CA 1.45 -0.47 0 CA-C-O 121.666 0.746 . . . . 0.0 111.248 -179.52 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 1.043 ' HA ' HH12 ' A' ' 40' ' ' ARG . 12.3 p-10 -103.79 -9.62 18.9 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-N 115.326 -0.852 . . . . 0.0 109.814 178.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.1 t -82.21 -176.78 6.35 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.173 -0.922 . . . . 0.0 112.267 -178.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 88.3 t -85.13 130.04 36.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.046 -0.979 . . . . 0.0 111.416 -179.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.654 ' HA ' ' HZ2' ' A' ' 10' ' ' TRP . 1.9 t -80.1 126.47 31.12 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.363 178.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 56.4 mt -98.99 -39.59 8.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 120.916 0.389 . . . . 0.0 111.182 -179.478 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.609 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 19.6 t-20 -144.11 160.94 40.04 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.398 -178.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.497 ' HZ2' ' CG ' ' A' ' 31' ' ' ASP . 63.5 tttp -65.04 -36.31 83.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.286 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.732 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 22.6 tptp -51.47 -57.31 14.79 Favored Pre-proline 0 CA--C 1.54 0.595 0 CA-C-O 119.476 -0.297 . . . . 0.0 111.767 -179.464 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.732 ' HD3' ' HB3' ' A' ' 18' ' ' LYS . 65.9 Cg_exo -56.11 -42.12 69.71 Favored 'Trans proline' 0 C--N 1.356 0.954 0 C-N-CA 122.326 2.017 . . . . 0.0 111.267 178.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 38.9 t -60.58 -51.4 69.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.182 -0.917 . . . . 0.0 110.713 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.454 HG21 ' O ' ' A' ' 17' ' ' LYS . 95.3 t -57.16 -36.44 51.65 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.109 0 CA-C-N 116.57 -0.286 . . . . 0.0 110.612 179.272 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.46 -46.24 87.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.85 0.357 . . . . 0.0 110.463 178.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.59 ' O ' ' HG3' ' A' ' 26' ' ' LYS . 4.1 t -64.73 -44.37 90.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.551 0.691 . . . . 0.0 109.497 179.08 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.55 ' SG ' ' HA3' ' A' ' 32' ' ' GLY . 78.2 m -64.52 -36.04 82.93 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.996 179.477 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.6 tppt? -65.82 -44.69 84.83 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.618 -0.264 . . . . 0.0 110.835 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.59 ' HG3' ' O ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -66.9 -27.11 67.23 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-O 121.008 0.432 . . . . 0.0 109.962 178.927 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.466 ' HB1' ' CD1' ' A' ' 29' ' ' PHE . . . -81.07 -0.83 41.69 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.517 178.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.445 ' HB2' ' HE3' ' A' ' 28' ' ' LYS . 27.0 ttmt 71.55 35.98 1.36 Allowed 'General case' 0 C--O 1.237 0.405 0 CA-C-N 115.278 -0.874 . . . . 0.0 111.907 179.171 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.466 ' CD1' ' HB1' ' A' ' 27' ' ' ALA . 19.2 m-85 -102.12 148.67 25.11 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.8 178.207 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.5 ' OG ' ' HA ' ' A' ' 45' ' ' LYS . 0.9 OUTLIER -60.09 -49.45 77.62 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.958 -0.564 . . . . 0.0 112.129 -178.596 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.497 ' CG ' ' HZ2' ' A' ' 17' ' ' LYS . 4.9 t70 -158.09 145.96 18.51 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.862 0.363 . . . . 0.0 111.433 -179.584 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.55 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -109.6 141.2 16.03 Favored Glycine 0 N--CA 1.447 -0.608 0 CA-C-N 115.76 -0.655 . . . . 0.0 112.032 179.616 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.535 ' HE1' HG22 ' A' ' 44' ' ' THR . 30.5 p-80 -130.7 132.99 45.7 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.266 0.555 . . . . 0.0 111.356 -179.789 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 2.9 t -68.67 133.95 49.18 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.161 -0.927 . . . . 0.0 109.619 179.521 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.961 ' HB3' HD13 ' A' ' 42' ' ' LEU . 54.6 p -87.8 -156.08 0.33 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.383 0.611 . . . . 0.0 112.188 -178.666 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -133.58 -34.28 1.05 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.667 -179.364 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.505 ' HB ' ' H ' ' A' ' 38' ' ' LEU . 5.7 mt -61.28 -98.96 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 CA-C-O 121.447 0.641 . . . . 0.0 111.678 -178.788 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.505 ' H ' ' HB ' ' A' ' 37' ' ' ILE . 23.3 tp -79.93 2.76 22.2 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.59 0.71 . . . . 0.0 109.945 -179.844 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 23.8 tpt180 63.63 31.95 14.22 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 114.487 -1.233 . . . . 0.0 110.841 179.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 1.043 HH12 ' HA ' ' A' ' 11' ' ' ASP . 74.9 mtt-85 -75.52 156.86 34.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.497 178.596 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.413 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 11.3 t -85.32 100.12 11.6 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.368 -0.378 . . . . 0.0 109.987 178.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.961 HD13 ' HB3' ' A' ' 35' ' ' SER . 10.6 mp -81.68 122.15 27.27 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.3 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.401 ' HB2' ' O ' ' A' ' 5' ' ' ALA . 64.0 m -103.09 136.16 43.41 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 120.817 0.341 . . . . 0.0 110.418 179.718 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.535 HG22 ' HE1' ' A' ' 33' ' ' HIS . 0.2 OUTLIER -121.15 140.69 51.65 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.615 179.727 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.5 ' HA ' ' OG ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -160.94 165.29 30.23 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.271 179.549 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.518 ' H ' ' CD ' ' A' ' 46' ' ' GLU . 0.5 OUTLIER -80.16 124.55 28.88 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 114.999 -1.0 . . . . 0.0 110.446 179.414 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.245 0.864 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 178.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.594 ' HA ' ' O ' ' A' ' 47' ' ' CYS . . . . . . . . 0 N--CA 1.478 0.961 0 CA-C-O 121.096 0.474 . . . . 0.0 110.495 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 13.4 m -152.15 125.56 8.79 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 56.0 m -115.7 128.88 56.22 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.953 0.406 . . . . 0.0 111.249 -179.144 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.612 ' HD3' ' HG ' ' A' ' 42' ' ' LEU . 0.5 OUTLIER -119.85 134.82 55.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.536 -179.84 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.587 ' N ' ' HD2' ' A' ' 4' ' ' LYS . . . -163.03 136.16 5.7 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 179.06 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.565 ' HG3' HD13 ' A' ' 42' ' ' LEU . 9.7 mp0 -66.34 139.22 58.02 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 -179.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.413 ' HB2' ' SG ' ' A' ' 43' ' ' CYS . 48.4 t -54.17 123.63 42.39 Favored Pre-proline 0 C--N 1.322 -0.6 0 O-C-N 123.456 0.473 . . . . 0.0 110.245 -179.431 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_endo -56.2 -41.86 72.25 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.884 2.389 . . . . 0.0 111.833 -179.295 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 35.9 p -86.8 44.48 1.17 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.396 178.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 38.3 t-105 -148.34 122.0 9.23 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-O 121.077 0.465 . . . . 0.0 111.539 -178.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -151.22 66.66 0.9 Allowed 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 178.19 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 9.2 t -161.9 179.51 7.99 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.776 -179.049 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.481 HG12 ' HG2' ' A' ' 39' ' ' ARG . 60.6 t -78.84 117.84 25.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 121.226 0.536 . . . . 0.0 111.347 -179.456 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.563 ' SG ' ' HB2' ' A' ' 20' ' ' CYS . 49.2 t -80.23 106.59 12.37 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.749 -0.659 . . . . 0.0 109.787 179.278 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 63.3 mt -99.31 -57.64 4.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-O 121.076 0.465 . . . . 0.0 110.307 -179.699 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.52 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 18.7 t-20 -95.9 146.81 24.28 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.501 179.243 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 39.2 mtmm -69.9 -33.62 72.45 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 111.939 0.348 . . . . 0.0 111.939 -179.556 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.701 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 12.5 tmtt? -51.03 -56.09 22.68 Favored Pre-proline 0 CA--C 1.539 0.547 0 CA-C-O 119.592 -0.242 . . . . 0.0 111.378 -179.342 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.701 ' HD3' ' HB3' ' A' ' 18' ' ' LYS . 83.5 Cg_exo -52.29 -43.83 50.87 Favored 'Trans proline' 0 C--N 1.357 0.986 0 C-N-CA 122.562 2.175 . . . . 0.0 112.263 179.251 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.563 ' HB2' ' SG ' ' A' ' 14' ' ' CYS . 39.4 t -65.67 -55.67 16.25 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.399 -179.256 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.603 ' O ' ' HG2' ' A' ' 25' ' ' LYS . 99.8 t -53.93 -45.59 63.76 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.221 0 CA-C-O 120.604 0.24 . . . . 0.0 110.38 179.691 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.68 -43.14 89.83 Favored 'General case' 0 C--O 1.238 0.491 0 CA-C-O 120.981 0.419 . . . . 0.0 110.749 179.229 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.786 ' HA ' ' HZ1' ' A' ' 26' ' ' LYS . 6.3 t -61.18 -46.93 88.46 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 178.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 72.7 m -61.61 -40.23 94.07 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 114.949 -1.023 . . . . 0.0 111.641 179.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.603 ' HG2' ' O ' ' A' ' 21' ' ' VAL . 12.6 mmmm -61.7 -42.56 99.11 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.855 -0.338 . . . . 0.0 110.646 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.786 ' HZ1' ' HA ' ' A' ' 23' ' ' CYS . 6.1 ptpp? -68.12 -30.76 69.99 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 120.484 -0.487 . . . . 0.0 109.892 179.372 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -80.74 4.5 18.73 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.918 179.508 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.42 ' HB2' ' HE3' ' A' ' 28' ' ' LYS . 32.4 ttmt 68.65 47.44 0.87 Allowed 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.545 179.527 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.641 ' HA ' ' HD3' ' A' ' 45' ' ' LYS . 31.0 m-85 -122.05 147.24 46.33 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 178.11 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.527 ' H ' ' HB3' ' A' ' 45' ' ' LYS . 2.7 m -76.85 -42.33 40.53 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 112.546 0.573 . . . . 0.0 112.546 -178.261 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -120.71 155.64 33.47 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.539 0.57 . . . . 0.0 112.539 -177.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -146.17 127.27 2.72 Favored Glycine 0 N--CA 1.444 -0.824 0 N-CA-C 110.325 -1.11 . . . . 0.0 110.325 178.545 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 32.3 p80 -149.06 142.04 24.8 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.226 0.536 . . . . 0.0 111.925 -178.306 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 13.7 m -66.5 146.91 54.0 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.326 179.347 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.976 ' HB3' HD11 ' A' ' 42' ' ' LEU . 11.0 p -92.84 -159.0 0.64 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.076 0.465 . . . . 0.0 111.523 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -116.99 -35.16 4.18 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.652 -179.585 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 12.4 mt -67.43 -102.3 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 CA-C-O 120.88 0.371 . . . . 0.0 111.783 -178.471 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.433 ' HA ' HD11 ' A' ' 38' ' ' LEU . 26.0 tp -77.56 6.64 6.78 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.519 0.676 . . . . 0.0 110.719 -179.579 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.481 ' HG2' HG12 ' A' ' 13' ' ' VAL . 21.4 tpt180 60.79 30.09 19.44 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 114.923 -1.035 . . . . 0.0 110.824 179.723 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 84.6 mtt-85 -69.98 154.66 41.66 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.185 178.498 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.434 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 20.3 t -77.82 110.91 13.1 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.316 179.448 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.976 HD11 ' HB3' ' A' ' 35' ' ' SER . 9.4 mp -90.17 123.91 34.39 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.283 179.519 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.413 ' SG ' ' HB2' ' A' ' 7' ' ' CYS . 85.4 m -104.95 134.31 48.28 Favored 'General case' 0 C--N 1.313 -0.991 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 179.53 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.42 148.37 51.32 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-O 121.207 0.527 . . . . 0.0 110.86 -179.445 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.641 ' HD3' ' HA ' ' A' ' 29' ' ' PHE . 61.7 pttt -163.0 174.12 12.73 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.723 179.503 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.404 ' H ' ' HG2' ' A' ' 46' ' ' GLU . 13.8 pt-20 -79.21 151.47 31.2 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.642 179.445 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.594 ' O ' ' HA ' ' A' ' 1' ' ' ALA . 28.7 p . . . . . 0 C--O 1.253 1.287 0 CA-C-O 117.551 -1.214 . . . . 0.0 109.079 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.926 0 N-CA-C 110.224 -0.287 . . . . 0.0 110.224 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 12.2 m -121.35 106.54 11.55 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.422 ' O ' ' HA ' ' A' ' 44' ' ' THR . 59.2 m -91.86 136.95 32.76 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.024 -179.3 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.626 ' HD2' HD23 ' A' ' 42' ' ' LEU . 11.7 ttpp -131.49 121.45 24.53 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.834 -179.686 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -152.29 143.46 23.2 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.334 179.241 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.763 ' HG2' HD13 ' A' ' 42' ' ' LEU . 42.1 mt-10 -65.83 140.07 58.36 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 -179.489 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 15.1 t -53.93 126.14 50.05 Favored Pre-proline 0 C--N 1.325 -0.459 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.03 -179.171 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_exo -51.28 -39.8 62.08 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 123.141 2.561 . . . . 0.0 112.683 -178.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 40.2 p -92.83 50.64 1.59 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.132 179.166 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 9.0 t-105 -157.03 137.78 13.28 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.32 -179.15 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -150.54 -29.51 0.21 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.651 -179.647 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 17.4 m -72.8 175.66 6.3 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.238 -0.892 . . . . 0.0 113.079 -177.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.706 HG12 ' HB3' ' A' ' 39' ' ' ARG . 90.8 t -78.49 130.22 36.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 114.906 -1.043 . . . . 0.0 111.016 -179.719 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.482 ' HB3' ' HG3' ' A' ' 39' ' ' ARG . 0.1 OUTLIER -71.55 127.99 34.38 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.055 179.547 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 51.6 mt -99.35 -26.07 3.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.395 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.565 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 19.9 t-20 -153.72 153.69 32.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.613 -179.499 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.551 ' O ' HG22 ' A' ' 21' ' ' VAL . 22.0 tptp -62.16 -40.22 95.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.883 -179.594 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.692 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 40.0 ttpt -51.96 -56.83 18.08 Favored Pre-proline 0 N--CA 1.47 0.552 0 N-CA-C 112.615 0.598 . . . . 0.0 112.615 -178.79 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.692 ' HD3' ' HB3' ' A' ' 18' ' ' LYS . 85.4 Cg_exo -50.53 -42.67 48.4 Favored 'Trans proline' 0 C--N 1.358 1.041 0 C-N-CA 122.383 2.055 . . . . 0.0 112.109 179.493 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 49.9 t -63.4 -50.69 68.84 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.381 179.593 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.551 HG22 ' O ' ' A' ' 17' ' ' LYS . 60.9 t -56.83 -40.24 69.85 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.207 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.716 179.238 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.14 -46.66 89.64 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-O 120.847 0.356 . . . . 0.0 110.897 179.589 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.574 ' HA ' ' HE3' ' A' ' 26' ' ' LYS . 5.3 t -62.08 -46.78 87.57 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-O 121.601 0.715 . . . . 0.0 109.745 179.345 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.597 ' SG ' ' HA3' ' A' ' 32' ' ' GLY . 82.8 m -65.08 -39.09 92.7 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 114.905 -1.043 . . . . 0.0 111.663 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.412 ' HD3' ' HA ' ' A' ' 25' ' ' LYS . 10.3 tppt? -63.29 -47.77 80.91 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.634 -0.257 . . . . 0.0 111.22 -178.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.574 ' HE3' ' HA ' ' A' ' 23' ' ' CYS . 19.9 pttp -66.62 -28.63 68.64 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.85 -0.34 . . . . 0.0 110.496 179.524 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.43 ' HB2' ' CE1' ' A' ' 29' ' ' PHE . . . -84.76 6.77 23.08 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-O 120.978 0.418 . . . . 0.0 111.173 179.168 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.436 ' O ' ' HD3' ' A' ' 45' ' ' LYS . 8.2 tmtt? 65.22 68.17 0.5 Allowed 'General case' 0 C--N 1.333 -0.115 0 C-N-CA 123.635 0.774 . . . . 0.0 111.215 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.52 ' HA ' ' HB3' ' A' ' 45' ' ' LYS . 55.0 m-85 -132.28 147.09 52.39 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 178.012 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.532 ' OG ' ' HA ' ' A' ' 45' ' ' LYS . 6.0 m -59.18 -48.66 80.79 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.741 0.305 . . . . 0.0 110.681 -179.13 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 47.2 t0 -162.91 153.12 16.22 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.02 178.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.597 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -113.56 142.81 17.65 Favored Glycine 0 N--CA 1.444 -0.783 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 179.277 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 28.1 p80 -137.49 132.9 33.97 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-O 121.468 0.652 . . . . 0.0 110.654 -179.378 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 9.2 m -72.88 134.03 44.65 Favored 'General case' 0 C--N 1.311 -1.095 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.257 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.792 ' HB3' HD11 ' A' ' 42' ' ' LEU . 18.7 p -73.97 -179.72 3.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.09 0.471 . . . . 0.0 111.903 -178.8 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 61.5 tttp -93.55 -31.44 14.53 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.749 -179.466 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 13.7 mt -69.96 -101.76 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 CA-C-O 120.898 0.38 . . . . 0.0 111.885 -178.386 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.781 HD21 ' HE ' ' A' ' 40' ' ' ARG . 24.5 tp -75.6 4.11 8.26 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 121.143 0.497 . . . . 0.0 111.228 -179.248 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.706 ' HB3' HG12 ' A' ' 13' ' ' VAL . 23.1 tpt180 62.09 32.22 17.58 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.249 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.781 ' HE ' HD21 ' A' ' 38' ' ' LEU . 97.6 mtt180 -68.81 156.18 38.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.904 179.38 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.459 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 44.3 t -83.0 96.8 8.44 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.385 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.792 HD11 ' HB3' ' A' ' 35' ' ' SER . 11.1 mp -86.97 116.8 25.27 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 178.868 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.524 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 61.4 m -94.13 136.29 34.58 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-O 120.873 0.368 . . . . 0.0 111.175 -179.527 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.493 HG23 ' HB2' ' A' ' 4' ' ' LYS . 0.3 OUTLIER -118.89 142.19 47.97 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.051 179.075 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.532 ' HA ' ' OG ' ' A' ' 30' ' ' SER . 53.6 pttt -159.85 175.75 12.72 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.248 0.547 . . . . 0.0 111.701 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -79.56 145.48 33.12 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 114.67 -1.15 . . . . 0.0 111.065 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 25.4 p . . . . . 0 C--O 1.242 0.675 0 N-CA-C 109.13 -0.692 . . . . 0.0 109.13 179.273 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.57 ' HA ' ' O ' ' A' ' 47' ' ' CYS . . . . . . . . 0 N--CA 1.478 0.934 0 CA-C-O 121.097 0.475 . . . . 0.0 110.491 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 17.6 m -151.97 122.83 7.51 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 57.7 m -112.17 137.82 49.72 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.92 0.391 . . . . 0.0 111.237 -179.106 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.599 ' HG2' ' CG2' ' A' ' 44' ' ' THR . 54.9 mtmt -124.5 135.05 52.89 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.169 179.717 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -161.74 139.02 8.64 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.825 179.654 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.484 ' OE1' ' HD2' ' A' ' 40' ' ' ARG . 7.4 mt-10 -64.31 141.98 58.58 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.602 ' HB3' ' HB2' ' A' ' 10' ' ' TRP . 45.8 t -56.88 126.36 72.04 Favored Pre-proline 0 C--N 1.322 -0.589 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.268 -179.396 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -54.04 -39.13 86.68 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 123.115 2.544 . . . . 0.0 112.585 -179.145 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 23.7 p -97.78 45.36 1.03 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.059 179.682 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.602 ' HB2' ' HB3' ' A' ' 7' ' ' CYS . 45.2 t-105 -132.53 122.66 25.17 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.273 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -148.01 58.97 1.11 Allowed 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 179.482 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 64.6 m -160.79 169.51 22.58 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.218 -178.71 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 99.7 t -78.56 126.49 38.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 179.293 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.556 ' SG ' ' HB2' ' A' ' 20' ' ' CYS . 4.1 t -73.15 117.18 14.58 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.048 -179.449 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 63.7 mt -98.48 -53.21 8.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-O 120.952 0.406 . . . . 0.0 110.479 -179.477 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.578 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 18.1 t-20 -117.3 152.52 34.71 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.892 -0.594 . . . . 0.0 109.96 179.771 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.525 ' HZ3' ' CG ' ' A' ' 31' ' ' ASP . 63.2 tttp -64.79 -36.91 85.83 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.862 -179.546 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.668 ' HB2' ' HD3' ' A' ' 19' ' ' PRO . 57.7 mtpt -50.78 -57.08 14.67 Favored Pre-proline 0 N--CA 1.47 0.553 0 N-CA-C 112.45 0.537 . . . . 0.0 112.45 -179.134 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.668 ' HD3' ' HB2' ' A' ' 18' ' ' LYS . 85.4 Cg_exo -51.71 -43.29 52.05 Favored 'Trans proline' 0 C--N 1.358 1.04 0 C-N-CA 122.336 2.024 . . . . 0.0 112.147 179.453 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.556 ' HB2' ' SG ' ' A' ' 14' ' ' CYS . 42.8 t -64.7 -51.15 63.98 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.619 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.479 ' CG1' ' HE2' ' A' ' 25' ' ' LYS . 95.1 t -56.8 -42.15 77.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.952 179.566 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.553 ' O ' ' HG2' ' A' ' 26' ' ' LYS . . . -61.05 -46.64 89.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.246 179.203 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.452 ' O ' ' HG3' ' A' ' 26' ' ' LYS . 5.4 t -60.62 -42.26 96.49 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.603 0.716 . . . . 0.0 109.86 179.06 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.623 ' SG ' ' HA3' ' A' ' 32' ' ' GLY . 81.7 m -65.5 -46.5 79.45 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 115.275 -0.875 . . . . 0.0 112.151 -179.595 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.479 ' HE2' ' CG1' ' A' ' 21' ' ' VAL . 67.6 mttm -62.55 -40.74 97.79 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 111.887 0.329 . . . . 0.0 111.887 -179.192 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.553 ' HG2' ' O ' ' A' ' 22' ' ' ALA . 14.9 ptmt -67.62 -32.9 73.92 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.342 -0.543 . . . . 0.0 109.581 178.128 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -80.81 5.87 14.68 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.974 178.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.443 ' HD3' ' HA ' ' A' ' 28' ' ' LYS . 4.8 tppt? 71.4 56.83 0.19 Allowed 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.374 -0.83 . . . . 0.0 112.281 179.105 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.549 ' HA ' ' HD3' ' A' ' 45' ' ' LYS . 47.6 m-85 -130.53 148.01 52.28 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 178.136 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.501 ' H ' ' HB3' ' A' ' 45' ' ' LYS . 6.8 m -63.46 -48.22 78.62 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -178.572 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.525 ' CG ' ' HZ3' ' A' ' 17' ' ' LYS . 5.0 t70 -161.4 147.92 14.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.705 -0.225 . . . . 0.0 111.041 -179.09 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.623 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -114.76 153.29 17.72 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.921 -0.657 . . . . 0.0 112.85 -179.817 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.435 ' HE1' HG23 ' A' ' 44' ' ' THR . 39.4 p-80 -139.5 135.09 33.13 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.889 0.376 . . . . 0.0 110.817 -179.763 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.474 ' HB3' ' HB3' ' A' ' 14' ' ' CYS . 22.4 m -72.8 126.79 30.76 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 178.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.654 ' O ' ' HA ' ' A' ' 39' ' ' ARG . 15.6 p -70.93 158.56 36.25 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 179.597 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 40.1 ttpt -88.77 -35.48 16.64 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 -178.591 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 62.1 mt -67.16 -75.71 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 112.799 0.666 . . . . 0.0 112.799 -178.002 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.7 ' HB3' ' HG2' ' A' ' 40' ' ' ARG . 22.1 tp -87.31 -9.25 55.43 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.134 0.492 . . . . 0.0 110.974 -178.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.654 ' HA ' ' O ' ' A' ' 35' ' ' SER . 22.0 tpt180 63.72 32.02 13.96 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.251 -0.886 . . . . 0.0 111.369 179.673 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.7 ' HG2' ' HB3' ' A' ' 38' ' ' LEU . 9.7 ptt180 -91.33 155.18 18.7 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.712 178.014 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.402 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 31.3 t -75.51 106.94 7.32 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.227 0.454 . . . . 0.0 112.227 -178.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.508 HD13 ' HB3' ' A' ' 35' ' ' SER . 9.5 mp -97.38 121.98 39.9 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 177.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.494 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 75.2 m -93.55 142.61 27.15 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-O 120.999 0.428 . . . . 0.0 111.34 -179.22 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.599 ' CG2' ' HG2' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -125.11 141.67 51.97 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.713 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.549 ' HD3' ' HA ' ' A' ' 29' ' ' PHE . 61.2 pttt -162.37 169.96 19.65 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.934 178.623 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -78.54 151.08 32.68 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.033 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.57 ' O ' ' HA ' ' A' ' 1' ' ' ALA . 28.6 p . . . . . 0 C--O 1.253 1.288 0 CA-C-O 117.563 -1.208 . . . . 0.0 109.007 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.916 0 N-CA-C 110.321 -0.252 . . . . 0.0 110.321 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 36.2 m -147.14 118.63 7.93 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.077 0.465 . . . . 0.0 109.88 179.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 61.7 m -95.32 137.78 33.91 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.479 -179.465 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.461 ' HA ' ' O ' ' A' ' 43' ' ' CYS . 37.1 ttpt -134.97 130.86 36.45 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.679 -179.378 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -168.46 146.19 4.08 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.294 179.677 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.501 ' HG2' ' HB3' ' A' ' 40' ' ' ARG . 3.4 mp0 -63.85 143.39 57.89 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.907 0.384 . . . . 0.0 110.64 -179.459 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.428 ' HB2' ' SG ' ' A' ' 43' ' ' CYS . 47.7 t -56.9 126.69 73.16 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.379 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_exo -57.8 -42.21 61.64 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.93 2.42 . . . . 0.0 112.467 -179.3 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 56.7 p -88.58 45.43 1.29 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.087 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.45 ' HH2' ' HB2' ' A' ' 19' ' ' PRO . 58.1 t-105 -133.56 127.5 33.26 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.763 0.316 . . . . 0.0 110.785 -179.624 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -150.5 68.57 0.97 Allowed 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 179.328 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.7 t -170.27 171.57 6.67 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.062 -178.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 59.6 t -79.2 118.59 26.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.389 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.553 ' SG ' ' HB2' ' A' ' 20' ' ' CYS . 19.2 t -77.46 105.67 8.74 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 179.671 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 64.1 mt -98.88 -47.14 12.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 120.902 0.382 . . . . 0.0 110.597 -179.263 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.624 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 42.7 t30 -114.13 148.24 37.52 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.99 179.576 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.532 ' O ' HG22 ' A' ' 21' ' ' VAL . 7.4 mtpt -65.77 -35.58 81.11 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.79 0.663 . . . . 0.0 112.79 -178.737 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.662 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 10.3 tmtt? -47.13 -56.83 10.86 Favored Pre-proline 0 N--CA 1.473 0.706 0 N-CA-C 112.182 0.438 . . . . 0.0 112.182 -178.245 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.662 ' HD3' ' HB3' ' A' ' 18' ' ' LYS . 53.2 Cg_exo -56.2 -42.73 63.27 Favored 'Trans proline' 0 C--N 1.354 0.849 0 C-N-CA 122.142 1.894 . . . . 0.0 111.801 179.45 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.553 ' HB2' ' SG ' ' A' ' 14' ' ' CYS . 34.3 t -63.21 -49.68 73.24 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.703 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.532 HG22 ' O ' ' A' ' 17' ' ' LYS . 92.3 t -55.81 -42.85 72.03 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.96 179.513 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.15 -43.48 98.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.115 0.483 . . . . 0.0 110.366 179.3 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.982 ' HA ' ' HE3' ' A' ' 26' ' ' LYS . 4.8 t -65.63 -47.44 75.58 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.836 179.194 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.463 ' SG ' ' HA3' ' A' ' 32' ' ' GLY . 96.8 m -59.83 -47.61 85.02 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.313 -0.858 . . . . 0.0 112.193 -179.576 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -65.39 -33.6 76.34 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.966 -0.294 . . . . 0.0 111.664 -179.469 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.982 ' HE3' ' HA ' ' A' ' 23' ' ' CYS . 6.8 ptpt -66.52 -33.33 75.45 Favored 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 178.228 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -87.17 13.96 8.56 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.092 179.668 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 36.7 ttmt 66.88 57.57 0.63 Allowed 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 115.64 -0.709 . . . . 0.0 112.121 179.096 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.467 ' CD2' ' HG2' ' A' ' 45' ' ' LYS . 64.5 m-85 -128.74 146.07 51.0 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 108.928 -0.768 . . . . 0.0 108.928 178.142 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.476 ' OG ' ' HA ' ' A' ' 45' ' ' LYS . 0.4 OUTLIER -66.9 -45.41 78.1 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 112.24 0.459 . . . . 0.0 112.24 -178.32 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.485 ' CG ' ' HZ3' ' A' ' 17' ' ' LYS . 45.1 t0 -154.43 157.14 38.02 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.99 0.424 . . . . 0.0 110.827 -179.169 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.463 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -123.43 161.73 17.63 Favored Glycine 0 N--CA 1.446 -0.634 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.821 179.652 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.551 ' HE1' HG21 ' A' ' 44' ' ' THR . 33.5 p-80 -156.23 133.81 10.93 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.033 0.444 . . . . 0.0 111.183 -179.455 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.409 ' HB3' ' HB3' ' A' ' 14' ' ' CYS . 14.6 m -70.06 135.82 49.67 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.816 179.253 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.795 ' HB3' HD11 ' A' ' 42' ' ' LEU . 11.7 p -81.45 -155.06 0.12 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.918 0.389 . . . . 0.0 111.198 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.41 ' H ' ' HB2' ' A' ' 35' ' ' SER . 86.5 tttt -123.33 -39.89 2.42 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.265 -0.425 . . . . 0.0 112.104 -179.251 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.418 ' HB ' ' H ' ' A' ' 38' ' ' LEU . 30.4 mt -60.54 -89.63 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.367 0 CA-C-O 120.903 0.382 . . . . 0.0 111.824 -178.458 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.793 HD23 ' HE ' ' A' ' 40' ' ' ARG . 26.3 tp -87.56 5.8 37.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.638 0.732 . . . . 0.0 110.094 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 59.13 33.7 22.95 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 114.559 -1.201 . . . . 0.0 110.533 -179.523 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.793 ' HE ' HD23 ' A' ' 38' ' ' LEU . 99.6 mtt180 -68.21 152.27 45.71 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.721 179.114 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.451 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 7.5 t -82.26 95.36 7.55 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.191 -0.459 . . . . 0.0 109.86 178.609 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.795 HD11 ' HB3' ' A' ' 35' ' ' SER . 9.8 mp -81.19 124.54 29.36 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.474 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.461 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 65.7 m -102.69 143.41 32.39 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.821 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.551 HG21 ' HE1' ' A' ' 33' ' ' HIS . 0.5 OUTLIER -130.54 141.88 50.47 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.014 -179.687 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.476 ' HA ' ' OG ' ' A' ' 30' ' ' SER . 2.6 pttm -160.8 162.33 32.28 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.986 179.152 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.3 pm0 -77.66 145.77 36.48 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.154 179.595 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 22.8 p . . . . . 0 C--O 1.242 0.692 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 -179.727 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.588 ' HA ' ' OXT' ' A' ' 47' ' ' CYS . . . . . . . . 0 N--CA 1.478 0.961 0 CA-C-O 121.041 0.448 . . . . 0.0 110.598 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 11.7 m -152.18 114.18 4.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.013 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 78.0 m -110.26 141.3 43.41 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.68 -179.559 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.854 ' HB3' HG22 ' A' ' 44' ' ' THR . 24.2 pttm -150.44 142.26 23.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.024 0.44 . . . . 0.0 111.316 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -166.27 148.45 6.87 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.853 -1.067 . . . . 0.0 108.785 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.577 ' HG3' HD13 ' A' ' 42' ' ' LEU . 3.4 mp0 -60.63 139.57 57.77 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.701 0.286 . . . . 0.0 110.534 -179.331 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 22.3 t -55.88 124.43 58.03 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.355 179.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_exo -52.6 -39.82 74.52 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.967 2.445 . . . . 0.0 112.563 -178.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 26.7 p -92.71 47.3 1.28 Allowed 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.789 179.446 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.437 ' HH2' ' HB2' ' A' ' 19' ' ' PRO . 37.2 t-105 -145.68 125.07 13.06 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.874 0.369 . . . . 0.0 111.176 -179.318 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -150.71 62.5 0.93 Allowed 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 178.616 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 51.0 m -153.95 170.78 20.23 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.208 -0.906 . . . . 0.0 110.257 -178.526 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.409 HG13 ' HG2' ' A' ' 39' ' ' ARG . 61.9 t -77.48 118.85 25.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.13 0.49 . . . . 0.0 110.697 -179.585 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.41 ' SG ' ' HB2' ' A' ' 20' ' ' CYS . 22.1 t -76.03 99.16 4.51 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.888 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 66.9 mt -97.98 -53.24 8.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 121.021 0.438 . . . . 0.0 109.831 -179.685 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.536 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 16.9 t-20 -100.4 140.69 34.29 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 178.733 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 51.2 tttm -67.84 -35.57 78.81 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 -178.328 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.672 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 39.9 ttpt -50.63 -55.87 23.28 Favored Pre-proline 0 N--CA 1.47 0.555 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 -178.701 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.672 ' HD3' ' HB3' ' A' ' 18' ' ' LYS . 75.4 Cg_exo -52.81 -43.72 53.85 Favored 'Trans proline' 0 C--N 1.357 0.98 0 C-N-CA 122.335 2.023 . . . . 0.0 112.072 179.663 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.41 ' HB2' ' SG ' ' A' ' 14' ' ' CYS . 42.1 t -62.68 -51.59 66.61 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.438 179.766 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.9 t -57.65 -38.18 63.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.692 179.308 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.29 -47.48 85.77 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.556 179.292 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.512 ' HA ' ' HE3' ' A' ' 26' ' ' LYS . 6.4 t -61.19 -45.87 92.8 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.33 0.586 . . . . 0.0 109.758 179.245 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.598 ' SG ' ' HA3' ' A' ' 32' ' ' GLY . 76.8 m -62.9 -47.45 83.24 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.104 -0.953 . . . . 0.0 112.428 -179.42 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 55.4 mtmt -59.87 -45.5 92.28 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 111.544 0.201 . . . . 0.0 111.544 -179.495 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.512 ' HE3' ' HA ' ' A' ' 23' ' ' CYS . 19.3 pttp -68.61 -25.34 64.81 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 120.518 -0.473 . . . . 0.0 110.558 179.733 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -88.41 9.85 22.08 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 121.087 0.47 . . . . 0.0 110.686 178.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 19.9 tptm 67.14 58.87 0.55 Allowed 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 115.33 -0.85 . . . . 0.0 112.266 179.367 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.489 ' HA ' ' HD3' ' A' ' 45' ' ' LYS . 56.2 m-85 -131.28 147.22 52.56 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 177.622 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.552 ' H ' ' HB3' ' A' ' 45' ' ' LYS . 10.4 m -63.25 -46.59 86.17 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.309 0.485 . . . . 0.0 112.309 -178.473 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -163.95 143.95 8.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.698 0.285 . . . . 0.0 111.271 -179.354 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.598 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -108.19 150.96 17.03 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 121.197 -0.525 . . . . 0.0 112.408 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 34.7 p80 -142.9 140.47 31.21 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.04 0.448 . . . . 0.0 111.269 -179.388 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 22.4 m -68.73 139.18 55.34 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.939 179.278 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.769 ' HB3' HD11 ' A' ' 42' ' ' LEU . 21.1 p -90.3 169.96 10.67 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.87 0.367 . . . . 0.0 110.945 179.845 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 23.7 ttpp -88.99 -26.73 21.32 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.809 -179.404 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.4 ' HB ' ' H ' ' A' ' 38' ' ' LEU . 16.8 mt -71.03 -106.17 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.914 -178.198 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.672 HD21 ' HE ' ' A' ' 40' ' ' ARG . 22.9 tp -77.66 12.21 1.76 Allowed 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 121.32 0.581 . . . . 0.0 111.166 -179.167 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.499 ' HD2' ' O ' ' A' ' 35' ' ' SER . 18.3 tpt180 58.87 30.66 20.42 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.652 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.672 ' HE ' HD21 ' A' ' 38' ' ' LEU . 99.4 mtt180 -69.7 151.8 45.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.547 179.026 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.545 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 10.1 t -82.3 98.45 8.8 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.292 178.843 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.769 HD11 ' HB3' ' A' ' 35' ' ' SER . 9.1 mp -84.98 117.33 23.9 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.714 179.652 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.596 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 73.3 m -91.21 129.65 37.18 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.503 179.785 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.854 HG22 ' HB3' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -115.31 146.43 41.52 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.166 -179.749 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.552 ' HB3' ' H ' ' A' ' 30' ' ' SER . 55.7 pttt -162.12 171.14 17.94 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.01 178.698 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -78.43 151.17 32.86 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.163 -0.926 . . . . 0.0 110.915 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.588 ' OXT' ' HA ' ' A' ' 1' ' ' ALA . 29.3 p . . . . . 0 C--O 1.244 0.776 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.027 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.008 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 31.2 m -147.98 112.05 5.17 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.302 0.573 . . . . 0.0 110.326 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 61.3 m -91.1 138.18 31.8 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.248 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.509 ' NZ ' ' HB3' ' A' ' 4' ' ' LYS . 5.5 ttpm? -137.2 128.23 27.61 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.664 -179.215 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -162.72 142.9 9.49 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.36 -0.836 . . . . 0.0 108.966 179.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.544 ' HG2' HD13 ' A' ' 42' ' ' LEU . 50.4 mt-10 -66.34 143.61 57.07 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.845 0.355 . . . . 0.0 110.692 -179.205 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.412 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 34.3 t -58.77 126.79 81.47 Favored Pre-proline 0 C--N 1.321 -0.636 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.018 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 7' ' ' CYS . 36.6 Cg_exo -58.12 -40.6 75.47 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.82 2.347 . . . . 0.0 112.373 -179.258 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.1 p -87.28 50.08 1.94 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.204 179.678 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.484 ' HH2' ' HB2' ' A' ' 19' ' ' PRO . 58.1 t-105 -140.02 116.8 10.92 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.505 -179.75 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 13.7 p-10 -143.58 29.27 1.41 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.592 0.711 . . . . 0.0 109.941 -179.637 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.2 m -131.02 164.28 25.73 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.125 -179.69 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 60.8 t -78.58 124.99 37.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.936 179.649 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.71 ' HB3' ' HB3' ' A' ' 39' ' ' ARG . 12.0 t -73.34 124.6 26.05 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.467 -179.559 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 43.4 mm -102.01 -24.46 4.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.05 179.561 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.722 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 19.5 t-20 -151.16 155.29 38.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.775 -179.635 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 57.2 tttm -63.71 -30.87 71.92 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.646 -0.252 . . . . 0.0 111.433 -179.494 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.811 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 23.8 tptm -48.36 -59.43 6.04 Favored Pre-proline 0 CA--C 1.543 0.695 0 N-CA-C 112.133 0.42 . . . . 0.0 112.133 -179.234 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.811 ' HD3' ' HB3' ' A' ' 18' ' ' LYS . 92.3 Cg_exo -50.99 -42.91 50.62 Favored 'Trans proline' 0 C--N 1.358 1.072 0 C-N-CA 122.756 2.304 . . . . 0.0 112.612 179.47 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.496 ' HB2' ' SG ' ' A' ' 34' ' ' CYS . 38.9 t -62.7 -50.17 72.2 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.091 -179.566 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 49.9 t -57.86 -38.98 69.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.812 0.339 . . . . 0.0 110.615 179.69 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.18 -47.45 84.43 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.456 179.227 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.429 ' O ' ' HG3' ' A' ' 26' ' ' LYS . 6.7 t -62.51 -47.71 82.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.097 179.357 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.706 ' SG ' ' HA3' ' A' ' 32' ' ' GLY . 88.8 m -59.47 -44.15 93.08 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.624 -0.716 . . . . 0.0 112.058 -179.62 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 55.2 mtmt -64.96 -41.51 95.4 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.782 -0.367 . . . . 0.0 111.199 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.429 ' HG3' ' O ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -70.59 -17.09 62.9 Favored 'General case' 0 C--O 1.232 0.172 0 C-N-CA 120.294 -0.562 . . . . 0.0 110.059 178.718 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -94.61 4.39 53.9 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.998 179.201 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.404 ' HE3' ' HB2' ' A' ' 28' ' ' LYS . 34.8 ttmt 70.51 57.4 0.25 Allowed 'General case' 0 C--O 1.236 0.361 0 CA-C-N 115.208 -0.906 . . . . 0.0 111.725 179.559 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.64 ' HA ' ' HD3' ' A' ' 45' ' ' LYS . 41.9 m-85 -131.48 148.65 52.66 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 178.525 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.593 ' H ' ' HB3' ' A' ' 45' ' ' LYS . 11.4 m -62.31 -48.27 80.6 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.054 0.39 . . . . 0.0 112.054 -178.795 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -159.37 151.7 21.18 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.746 0.308 . . . . 0.0 110.651 -179.688 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.706 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -119.04 146.62 18.36 Favored Glycine 0 N--CA 1.444 -0.807 0 C-N-CA 120.875 -0.678 . . . . 0.0 112.864 -179.702 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 29.2 p80 -134.55 129.24 34.75 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.464 0.649 . . . . 0.0 110.576 179.682 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.496 ' SG ' ' HB2' ' A' ' 20' ' ' CYS . 61.6 m -75.21 141.98 43.51 Favored 'General case' 0 C--N 1.311 -1.094 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.527 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 14.0 p -77.9 -162.59 0.34 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.733 0.302 . . . . 0.0 110.231 179.584 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -108.34 -43.76 4.27 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -179.33 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 38.2 mt -61.11 -88.64 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.358 0 N-CA-C 112.615 0.598 . . . . 0.0 112.615 -177.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.461 ' HB3' ' HG3' ' A' ' 40' ' ' ARG . 26.4 tp -87.2 7.16 29.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.17 0.51 . . . . 0.0 111.243 -178.72 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.71 ' HB3' ' HB3' ' A' ' 14' ' ' CYS . 35.6 mmt180 59.86 31.45 20.76 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.488 -179.189 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.483 ' HD3' ' OE2' ' A' ' 6' ' ' GLU . 66.9 mtt-85 -61.67 135.91 57.8 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.635 -0.712 . . . . 0.0 109.919 179.145 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.462 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 44.3 t -78.79 92.75 4.87 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.094 -0.503 . . . . 0.0 112.051 -178.38 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.544 HD13 ' HG2' ' A' ' 6' ' ' GLU . 10.3 mp -81.32 118.14 22.39 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 178.397 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.503 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 84.8 m -92.91 142.13 27.66 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 120.719 0.295 . . . . 0.0 110.719 -179.772 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -129.96 140.75 50.87 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.057 -179.778 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.64 ' HD3' ' HA ' ' A' ' 29' ' ' PHE . 62.1 pttt -161.12 162.86 31.62 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.399 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -78.31 146.9 34.5 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.158 179.237 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 21.5 p . . . . . 0 C--O 1.252 1.232 0 CA-C-O 117.463 -1.256 . . . . 0.0 109.375 -179.672 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.576 ' HA ' ' O ' ' A' ' 47' ' ' CYS . . . . . . . . 0 N--CA 1.478 0.94 0 CA-C-O 121.038 0.447 . . . . 0.0 110.856 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.5 m -152.73 88.23 1.33 Allowed 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.485 ' O ' ' HA ' ' A' ' 44' ' ' THR . 56.7 m -89.81 143.82 26.47 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 120.991 0.424 . . . . 0.0 112.099 -178.446 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.842 ' HG2' HG23 ' A' ' 44' ' ' THR . 36.8 mtmm -129.18 136.34 50.03 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.097 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -163.82 131.18 3.38 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 179.313 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.579 ' HA ' ' O ' ' A' ' 41' ' ' CYS . 4.6 mp0 -63.99 141.21 58.85 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.049 0.452 . . . . 0.0 111.219 -178.658 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.688 ' SG ' ' HB2' ' A' ' 10' ' ' TRP . 0.1 OUTLIER -49.14 124.04 13.25 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 114.833 -1.076 . . . . 0.0 109.808 179.136 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -54.09 -42.08 70.07 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 123.051 2.5 . . . . 0.0 112.517 -178.547 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.2 p -90.44 41.02 1.03 Allowed 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.045 179.435 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.688 ' HB2' ' SG ' ' A' ' 7' ' ' CYS . 23.5 t-105 -140.48 116.86 10.7 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-O 121.073 0.463 . . . . 0.0 111.283 -179.586 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -151.03 55.59 0.89 Allowed 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 178.355 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.1 m -154.62 178.41 10.13 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.07 -0.968 . . . . 0.0 110.144 -178.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.633 HG13 ' HG3' ' A' ' 39' ' ' ARG . 84.4 t -78.1 124.36 36.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.243 -179.529 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.872 ' H ' ' HB2' ' A' ' 39' ' ' ARG . 3.0 t -72.36 123.98 24.18 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.648 -0.705 . . . . 0.0 109.572 179.521 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 52.3 mt -99.13 -25.17 4.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 121.202 0.525 . . . . 0.0 110.729 -179.171 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.583 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 18.9 t-20 -155.1 153.58 31.07 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.874 -179.646 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.517 ' HG2' HG23 ' A' ' 21' ' ' VAL . 63.6 tttp -64.55 -34.64 78.72 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.605 -179.647 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.707 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 88.1 tttt -51.29 -57.94 12.36 Favored Pre-proline 0 CA--C 1.539 0.521 0 CA-C-O 119.246 -0.407 . . . . 0.0 111.965 -179.343 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.707 ' HD3' ' HB3' ' A' ' 18' ' ' LYS . 63.0 Cg_exo -47.12 -46.72 18.56 Favored 'Trans proline' 0 C--N 1.359 1.085 0 C-N-CA 122.779 2.319 . . . . 0.0 112.381 179.14 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 52.9 t -64.33 -52.21 59.54 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.133 -0.94 . . . . 0.0 110.856 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.517 HG23 ' HG2' ' A' ' 17' ' ' LYS . 80.2 t -56.49 -37.53 52.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.31 179.209 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.82 -47.4 85.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.335 178.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.424 ' O ' ' HG3' ' A' ' 26' ' ' LYS . 16.6 t -64.45 -49.59 70.87 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 121.495 0.664 . . . . 0.0 110.244 179.101 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.596 ' SG ' ' HA3' ' A' ' 32' ' ' GLY . 68.1 m -55.81 -43.95 77.38 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.902 -179.522 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.55 ' HE3' ' O ' ' A' ' 30' ' ' SER . 0.1 OUTLIER -63.96 -45.38 89.37 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.022 0.378 . . . . 0.0 112.022 -179.852 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.424 ' HG3' ' O ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -68.47 -16.06 63.76 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.984 179.714 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.434 ' HB2' ' CE1' ' A' ' 29' ' ' PHE . . . -102.5 11.23 38.21 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-O 120.898 0.38 . . . . 0.0 110.988 179.409 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.509 ' HZ2' ' CD ' ' A' ' 46' ' ' GLU . 46.5 tttp 65.37 51.66 1.53 Allowed 'General case' 0 CA--C 1.54 0.578 0 CA-C-O 121.674 0.75 . . . . 0.0 112.514 179.288 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.494 ' CD2' ' HB3' ' A' ' 45' ' ' LYS . 50.2 m-85 -117.14 145.18 43.98 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 177.471 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.55 ' O ' ' HE3' ' A' ' 25' ' ' LYS . 8.9 m -60.39 -45.62 92.89 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -178.605 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.488 ' CG ' ' HZ3' ' A' ' 17' ' ' LYS . 33.0 t70 -166.8 150.62 6.98 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.649 0.261 . . . . 0.0 110.897 -179.708 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.596 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -116.91 147.65 18.9 Favored Glycine 0 N--CA 1.445 -0.73 0 C-N-CA 120.954 -0.641 . . . . 0.0 112.83 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 20.7 p-80 -137.53 129.29 28.64 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.9 0.381 . . . . 0.0 110.211 179.629 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 4.7 m -69.67 135.96 50.51 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.098 -179.355 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.528 ' O ' ' HA ' ' A' ' 39' ' ' ARG . 22.6 t -69.15 174.09 4.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.206 179.496 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.423 ' HE2' ' HB2' ' A' ' 36' ' ' LYS . 15.4 tppt? -89.69 -41.19 12.06 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 -179.146 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 31.7 mt -71.65 -95.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 120.696 0.284 . . . . 0.0 111.233 -178.581 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 32.0 tp -73.34 -4.91 36.28 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 121.496 0.665 . . . . 0.0 110.266 179.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.872 ' HB2' ' H ' ' A' ' 14' ' ' CYS . 17.2 mmt85 64.1 33.94 11.59 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 114.822 -1.081 . . . . 0.0 110.459 -179.569 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.489 ' HB3' ' HG2' ' A' ' 6' ' ' GLU . 83.4 mtt-85 -58.42 140.25 54.1 Favored 'General case' 0 C--N 1.334 -0.104 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 179.004 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.579 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 24.6 t -74.48 93.43 2.46 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.372 -179.073 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.413 HD11 ' HG3' ' A' ' 6' ' ' GLU . 8.1 mp -78.94 113.94 17.47 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 178.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.43 ' HB3' ' CG ' ' A' ' 29' ' ' PHE . 73.2 m -96.22 131.08 43.08 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 121.012 0.434 . . . . 0.0 111.149 -179.687 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.842 HG23 ' HG2' ' A' ' 4' ' ' LYS . 0.1 OUTLIER -106.2 147.34 29.17 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 178.225 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.494 ' HB3' ' CD2' ' A' ' 29' ' ' PHE . 14.1 pttp -160.4 -168.68 2.23 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 113.633 0.975 . . . . 0.0 113.633 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.509 ' CD ' ' HZ2' ' A' ' 28' ' ' LYS . 10.2 pt-20 -77.44 138.46 39.27 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 113.171 -1.831 . . . . 0.0 112.624 -178.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.576 ' O ' ' HA ' ' A' ' 1' ' ' ALA . 18.2 p . . . . . 0 C--O 1.249 1.079 0 CA-C-O 117.261 -1.352 . . . . 0.0 108.64 177.554 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.965 0 CA-C-O 121.096 0.474 . . . . 0.0 110.374 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 6.0 m -101.08 112.01 24.37 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 179.515 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.528 ' O ' ' HA ' ' A' ' 44' ' ' THR . 64.1 m -117.51 135.19 54.1 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 112.768 0.655 . . . . 0.0 112.768 -177.024 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.725 ' HD3' ' HG ' ' A' ' 42' ' ' LEU . 0.5 OUTLIER -122.7 131.81 53.97 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.274 -0.875 . . . . 0.0 109.52 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.579 ' N ' ' HD2' ' A' ' 4' ' ' LYS . . . -159.92 127.55 4.67 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 178.763 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.49 ' HA ' ' O ' ' A' ' 41' ' ' CYS . 43.9 mp0 -63.94 136.34 57.26 Favored 'General case' 0 N--CA 1.446 -0.658 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 -179.637 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.438 ' HB2' ' SG ' ' A' ' 43' ' ' CYS . 23.4 t -54.07 124.5 45.5 Favored Pre-proline 0 C--N 1.32 -0.696 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.151 -179.098 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -55.79 -41.98 71.86 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.967 2.445 . . . . 0.0 112.146 -179.028 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.2 p -87.32 51.97 2.38 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.745 179.171 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 51.3 t-105 -147.02 126.22 12.98 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.769 -179.538 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -150.35 18.97 0.84 Allowed 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.314 179.625 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.9 t -114.21 -172.98 2.2 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.997 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 92.3 t -91.32 120.93 41.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.311 -179.711 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.562 ' SG ' ' HB2' ' A' ' 20' ' ' CYS . 20.2 t -79.63 118.91 21.9 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 179.036 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 64.8 mt -99.38 -48.93 11.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-O 120.968 0.413 . . . . 0.0 110.679 -179.312 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.657 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 37.4 t30 -125.19 164.88 19.31 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.015 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.433 ' HZ1' ' CG ' ' A' ' 31' ' ' ASP . 3.0 mmmp? -60.13 -36.93 78.59 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.014 0.375 . . . . 0.0 112.014 -179.56 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.694 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 22.4 tptm -47.93 -59.51 5.68 Favored Pre-proline 0 N--CA 1.472 0.626 0 N-CA-C 113.25 0.833 . . . . 0.0 113.25 -178.131 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.694 ' HD3' ' HB3' ' A' ' 18' ' ' LYS . 96.3 Cg_exo -50.14 -46.84 26.47 Favored 'Trans proline' 0 C--N 1.355 0.884 0 C-N-CA 122.272 1.981 . . . . 0.0 112.369 179.71 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.562 ' HB2' ' SG ' ' A' ' 14' ' ' CYS . 15.7 t -67.37 -51.37 52.85 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 114.952 -1.022 . . . . 0.0 111.038 -179.415 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.434 ' O ' ' HG2' ' A' ' 25' ' ' LYS . 76.7 t -55.44 -40.82 59.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.565 -0.289 . . . . 0.0 110.732 179.588 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.63 -49.14 78.73 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-O 120.782 0.325 . . . . 0.0 110.408 179.158 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 4.7 t -60.97 -46.86 89.01 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.593 0.711 . . . . 0.0 109.527 178.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.657 ' SG ' ' HA3' ' A' ' 32' ' ' GLY . 81.4 m -62.01 -36.24 80.94 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.021 179.385 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.732 ' HA ' ' HE3' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -60.63 -51.89 67.46 Favored 'General case' 0 CA--C 1.52 -0.179 0 CA-C-O 120.481 0.181 . . . . 0.0 110.751 179.602 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.28 -17.9 64.4 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.196 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.543 ' HB3' ' CD1' ' A' ' 29' ' ' PHE . . . -94.65 7.52 45.45 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.208 179.171 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.456 ' O ' ' HD2' ' A' ' 45' ' ' LYS . 12.6 tptp 66.71 37.44 4.28 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-O 121.908 0.861 . . . . 0.0 112.252 179.347 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.59 ' CG ' ' HB3' ' A' ' 43' ' ' CYS . 62.1 m-85 -107.72 145.7 33.1 Favored 'General case' 0 C--N 1.318 -0.765 0 O-C-N 121.237 -0.914 . . . . 0.0 109.744 177.51 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.3 m -58.85 -49.81 76.36 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.806 -178.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.433 ' CG ' ' HZ1' ' A' ' 17' ' ' LYS . 12.4 t70 -159.07 154.06 25.03 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.597 -0.274 . . . . 0.0 110.528 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.657 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -122.17 140.9 13.89 Favored Glycine 0 N--CA 1.442 -0.936 0 CA-C-N 115.926 -0.579 . . . . 0.0 112.237 -179.866 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.494 ' CE1' HD21 ' A' ' 42' ' ' LEU . 26.4 p80 -132.22 135.32 46.22 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.1 0.476 . . . . 0.0 110.86 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.497 ' HB3' ' HB3' ' A' ' 14' ' ' CYS . 3.6 m -65.88 138.28 57.76 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.467 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 1.038 ' HB3' HD12 ' A' ' 42' ' ' LEU . 14.0 p -87.31 -156.69 0.35 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.076 0.465 . . . . 0.0 110.87 179.528 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -125.26 -35.85 2.56 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.626 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 61.0 mt -54.63 -55.06 17.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -178.563 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.44 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 23.5 tp -140.76 23.03 2.29 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.758 0.79 . . . . 0.0 109.701 -179.756 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 26.1 mmm180 53.28 28.79 7.65 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 114.659 -1.155 . . . . 0.0 111.099 -179.123 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 63.1 mtt-85 -67.42 143.44 56.28 Favored 'General case' 0 N--CA 1.449 -0.475 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 179.073 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.49 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 39.6 t -72.86 99.57 2.69 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.579 -178.61 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 1.038 HD12 ' HB3' ' A' ' 35' ' ' SER . 10.4 mp -82.35 112.65 19.52 Favored 'General case' 0 CA--C 1.515 -0.386 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 178.388 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.59 ' HB3' ' CG ' ' A' ' 29' ' ' PHE . 88.7 m -95.77 135.9 36.88 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.603 -179.452 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.528 ' HA ' ' O ' ' A' ' 3' ' ' CYS . 7.1 p -117.2 138.36 51.74 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 109.754 -0.462 . . . . 0.0 109.754 178.839 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.456 ' HD2' ' O ' ' A' ' 28' ' ' LYS . 7.5 pttp -160.09 177.48 10.66 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.361 0.601 . . . . 0.0 110.838 -179.359 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.451 ' H ' ' CD ' ' A' ' 46' ' ' GLU . 0.4 OUTLIER -82.51 132.53 35.2 Favored 'General case' 0 C--N 1.312 -1.033 0 CA-C-N 114.384 -1.28 . . . . 0.0 112.488 -179.118 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.257 1.452 0 CA-C-O 117.592 -1.194 . . . . 0.0 109.008 177.319 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.935 0 N-CA-C 110.251 -0.278 . . . . 0.0 110.251 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 25.8 m -149.11 103.86 3.37 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.37 0.605 . . . . 0.0 110.071 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 94.0 m -97.72 146.11 25.68 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.435 -179.52 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.596 ' HA ' ' O ' ' A' ' 43' ' ' CYS . 24.3 pttm -150.12 138.79 20.75 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.276 0.56 . . . . 0.0 111.399 179.65 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -161.44 149.99 15.76 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 114.631 -1.168 . . . . 0.0 108.473 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.643 ' OE1' ' HD3' ' A' ' 40' ' ' ARG . 7.5 mt-10 -62.55 143.32 57.36 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.705 0.288 . . . . 0.0 110.582 -179.04 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 34.9 t -56.11 129.35 73.24 Favored Pre-proline 0 C--N 1.325 -0.475 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.073 -179.491 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -52.71 -41.49 69.03 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 123.154 2.569 . . . . 0.0 112.489 -179.036 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 37.7 p -93.66 50.52 1.47 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.584 179.335 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 6.4 t-105 -155.9 135.02 12.11 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.03 0.443 . . . . 0.0 110.562 -179.502 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -150.96 -28.18 0.2 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.63 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.3 m -72.64 175.31 6.49 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.327 -0.852 . . . . 0.0 112.626 -178.119 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.437 HG13 ' HB3' ' A' ' 39' ' ' ARG . 86.2 t -78.18 126.53 38.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.202 -0.908 . . . . 0.0 111.088 -179.657 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.417 ' HB3' ' HG3' ' A' ' 39' ' ' ARG . 0.1 OUTLIER -75.54 137.75 41.06 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.442 179.742 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 61.6 mt -98.67 -38.71 7.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.507 179.447 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.654 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 46.2 t30 -144.63 157.25 44.29 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.394 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 58.7 tttm -63.82 -33.56 75.96 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 -178.62 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.721 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 88.4 tttt -51.39 -57.58 13.73 Favored Pre-proline 0 N--CA 1.472 0.637 0 N-CA-C 112.2 0.444 . . . . 0.0 112.2 -178.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.721 ' HD3' ' HB3' ' A' ' 18' ' ' LYS . 72.3 Cg_exo -52.33 -40.51 70.35 Favored 'Trans proline' 0 C--N 1.359 1.093 0 C-N-CA 122.335 2.023 . . . . 0.0 111.984 179.297 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 46.0 t -62.94 -49.45 74.7 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.363 179.557 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 89.2 t -57.9 -38.48 66.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.769 179.281 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.74 -46.32 88.61 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.84 0.352 . . . . 0.0 110.441 179.269 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.599 ' HA ' ' HE2' ' A' ' 26' ' ' LYS . 4.6 t -62.07 -44.52 96.51 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.636 0.732 . . . . 0.0 109.772 179.174 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 71.2 m -66.17 -42.3 89.13 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.17 -0.923 . . . . 0.0 112.004 -179.647 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -62.23 -45.76 91.88 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.824 -0.171 . . . . 0.0 111.012 -179.366 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.599 ' HE2' ' HA ' ' A' ' 23' ' ' CYS . 52.9 pttt -66.64 -29.04 68.97 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.87 0.367 . . . . 0.0 110.228 178.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -80.66 7.39 10.27 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.508 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.9 ttpt 72.72 36.08 0.99 Allowed 'General case' 0 CA--C 1.54 0.595 0 CA-C-O 121.369 0.604 . . . . 0.0 111.886 178.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 42.5 m-85 -113.46 146.63 39.26 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 177.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -71.77 -43.73 65.23 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 112.67 0.619 . . . . 0.0 112.67 -178.132 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -132.71 163.73 28.34 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.26 0.553 . . . . 0.0 111.589 -178.31 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -145.07 127.36 2.85 Favored Glycine 0 N--CA 1.44 -1.057 0 N-CA-C 109.97 -1.252 . . . . 0.0 109.97 178.129 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 33.1 p-80 -135.47 132.23 37.11 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.162 0.506 . . . . 0.0 110.968 -178.651 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 36.0 m -74.1 129.54 38.05 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.839 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.852 ' HB2' HD13 ' A' ' 42' ' ' LEU . 28.3 t -66.28 166.25 12.47 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.373 -179.376 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -88.82 -24.82 22.48 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.575 179.672 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.428 ' C ' ' H ' ' A' ' 39' ' ' ARG . 9.2 mt -69.98 -104.5 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.535 -178.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.447 HD23 ' HE ' ' A' ' 40' ' ' ARG . 22.3 tp -79.05 13.34 1.82 Allowed 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 121.461 0.648 . . . . 0.0 110.775 -179.658 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.448 ' HA ' ' O ' ' A' ' 35' ' ' SER . 21.9 tpt180 59.44 29.11 18.63 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.012 -0.994 . . . . 0.0 110.688 179.682 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.643 ' HD3' ' OE1' ' A' ' 6' ' ' GLU . 44.3 mtt-85 -71.72 146.77 47.96 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.866 179.557 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.566 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 35.9 t -78.57 108.1 11.72 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -178.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.852 HD13 ' HB2' ' A' ' 35' ' ' SER . 9.8 mp -93.55 122.18 35.72 Favored 'General case' 0 CA--C 1.52 -0.178 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 178.28 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.596 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 82.1 m -97.16 129.35 44.54 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.661 -179.24 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.476 HG23 ' HB3' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -110.65 146.27 36.49 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.513 179.227 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.438 ' HZ3' ' HB2' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -161.5 169.39 21.91 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.081 0.467 . . . . 0.0 110.806 179.606 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.64 152.47 29.98 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.68 177.648 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 24.5 p . . . . . 0 C--O 1.252 1.223 0 CA-C-O 117.421 -1.276 . . . . 0.0 109.042 179.847 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.11 0 CA-C-O 120.642 0.258 . . . . 0.0 110.395 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.0 m -99.4 111.73 24.04 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 179.349 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.421 ' O ' ' HA ' ' A' ' 44' ' ' THR . 29.5 m -89.98 132.84 35.14 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.016 0.436 . . . . 0.0 111.217 -179.373 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.55 ' HD2' ' N ' ' A' ' 5' ' ' ALA . 0.4 OUTLIER -122.2 131.27 53.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.738 -179.666 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.55 ' N ' ' HD2' ' A' ' 4' ' ' LYS . . . -160.77 134.52 6.88 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 178.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.531 ' OE2' ' HG ' ' A' ' 42' ' ' LEU . 10.0 mp0 -65.52 139.78 58.51 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 -179.62 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 36.8 t -52.85 124.67 36.75 Favored Pre-proline 0 C--N 1.323 -0.554 0 O-C-N 123.511 0.507 . . . . 0.0 110.216 -179.306 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -54.77 -42.78 65.41 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.947 2.432 . . . . 0.0 112.35 -178.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 23.0 p -91.14 46.32 1.31 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.722 179.368 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 37.4 t-105 -142.59 121.56 12.82 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.13 0.491 . . . . 0.0 111.141 -179.589 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -150.63 57.27 0.93 Allowed 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 178.729 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 46.1 m -151.23 176.7 10.96 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.542 -178.716 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.453 HG11 ' HG2' ' A' ' 39' ' ' ARG . 76.0 t -78.65 117.07 23.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.409 -179.44 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.712 ' SG ' ' HB2' ' A' ' 20' ' ' CYS . 10.9 t -89.36 116.54 27.63 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.817 -0.628 . . . . 0.0 109.465 179.325 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 63.7 mt -113.83 -52.56 5.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 121.053 0.454 . . . . 0.0 110.318 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.553 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 51.2 t30 -91.23 143.69 26.39 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.437 179.666 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 25.1 tptp -61.47 -42.47 98.83 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.693 -0.685 . . . . 0.0 112.445 -178.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.623 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 88.6 tttt -51.23 -55.5 28.05 Favored Pre-proline 0 CA--C 1.542 0.662 0 N-CA-C 113.625 0.972 . . . . 0.0 113.625 -178.055 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.623 ' HD3' ' HB3' ' A' ' 18' ' ' LYS . 92.4 Cg_exo -49.15 -45.48 29.43 Favored 'Trans proline' 0 C--N 1.357 0.99 0 C-N-CA 122.469 2.112 . . . . 0.0 112.766 -179.696 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.712 ' HB2' ' SG ' ' A' ' 14' ' ' CYS . 21.2 t -65.65 -49.24 69.36 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.718 -0.673 . . . . 0.0 110.648 -179.835 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.405 HG21 ' OD1' ' A' ' 31' ' ' ASP . 65.1 t -57.07 -39.05 63.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.692 179.386 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.496 ' O ' ' HG2' ' A' ' 26' ' ' LYS . . . -62.98 -49.56 74.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.538 179.386 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.521 ' O ' ' HG3' ' A' ' 26' ' ' LYS . 4.9 t -60.6 -44.43 96.29 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-O 121.505 0.669 . . . . 0.0 109.896 179.335 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.547 ' SG ' ' HA3' ' A' ' 32' ' ' GLY . 83.3 m -66.6 -37.93 85.92 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.865 -179.84 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.42 -45.4 87.71 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 121.221 -0.192 . . . . 0.0 110.835 -179.239 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.521 ' HG3' ' O ' ' A' ' 23' ' ' CYS . 13.4 ptmt -67.11 -30.39 70.4 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 121.063 0.459 . . . . 0.0 109.763 178.151 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.26 -6.29 47.03 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.844 179.058 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.611 ' HB2' ' NZ ' ' A' ' 28' ' ' LYS . 1.6 ttmp? 78.93 36.02 0.18 Allowed 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 123.902 0.881 . . . . 0.0 111.718 179.21 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.408 ' CG ' ' HB3' ' A' ' 43' ' ' CYS . 25.1 m-85 -109.28 149.04 30.04 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 178.231 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 23.7 t -61.18 -48.51 81.2 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.076 0.399 . . . . 0.0 112.076 -178.454 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.405 ' OD1' HG21 ' A' ' 21' ' ' VAL . 34.9 t70 -156.11 153.56 29.54 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.794 0.331 . . . . 0.0 111.52 -179.119 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.547 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -121.51 144.38 16.49 Favored Glycine 0 N--CA 1.447 -0.623 0 CA-C-N 115.753 -0.658 . . . . 0.0 112.211 179.723 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.466 ' HE1' HG23 ' A' ' 44' ' ' THR . 24.0 p-80 -135.64 133.67 38.43 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.762 0.315 . . . . 0.0 110.734 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.434 ' HB3' ' HB3' ' A' ' 14' ' ' CYS . 43.2 m -66.79 132.9 49.03 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.323 -179.632 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.954 ' HB2' HD12 ' A' ' 42' ' ' LEU . 37.3 t -77.02 156.13 32.06 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.572 179.583 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 48.7 tttm -88.07 -25.86 22.84 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.305 179.207 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.453 ' HB ' ' H ' ' A' ' 38' ' ' LEU . 10.3 mt -68.85 -102.16 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.06 -179.267 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.453 ' H ' ' HB ' ' A' ' 37' ' ' ILE . 21.4 tp -82.98 13.81 3.73 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.46 0.647 . . . . 0.0 110.723 -179.742 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.555 ' HA ' ' O ' ' A' ' 35' ' ' SER . 0.2 OUTLIER 58.26 29.06 17.5 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.048 -0.978 . . . . 0.0 111.911 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 80.2 mtt-85 -72.85 150.57 42.56 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.985 -0.286 . . . . 0.0 110.446 178.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.434 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 26.0 t -80.72 106.31 12.63 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.559 -0.291 . . . . 0.0 110.308 179.75 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.954 HD12 ' HB2' ' A' ' 35' ' ' SER . 10.7 mp -87.21 119.57 27.59 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.119 179.668 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.408 ' HB3' ' CG ' ' A' ' 29' ' ' PHE . 82.6 m -98.69 135.72 39.78 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-O 120.928 0.394 . . . . 0.0 110.428 179.703 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.466 HG23 ' HE1' ' A' ' 33' ' ' HIS . 0.5 OUTLIER -123.17 141.04 52.39 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.23 179.579 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.881 ' HB2' ' HZ2' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -155.83 173.62 16.49 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.629 0.728 . . . . 0.0 111.143 -179.335 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 11.0 pm0 -78.35 147.25 34.25 Favored 'General case' 0 C--N 1.31 -1.14 0 CA-C-N 113.906 -1.497 . . . . 0.0 110.878 -179.5 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 30.0 p . . . . . 0 C--O 1.254 1.316 0 CA-C-O 117.731 -1.128 . . . . 0.0 108.422 179.583 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.434 ' O ' ' HA ' ' A' ' 46' ' ' GLU . . . . . . . . 0 N--CA 1.479 0.982 0 CA-C-O 121.127 0.489 . . . . 0.0 110.316 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.0 m -95.51 87.66 4.82 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.977 -179.757 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 58.2 m -90.07 133.46 34.83 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.734 -0.667 . . . . 0.0 111.589 -178.42 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.54 ' HD2' ' N ' ' A' ' 5' ' ' ALA . 0.5 OUTLIER -134.93 131.02 36.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.885 -179.461 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.54 ' N ' ' HD2' ' A' ' 4' ' ' LYS . . . -156.88 141.61 16.89 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.427 179.314 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.403 ' OE1' HD12 ' A' ' 42' ' ' LEU . 2.8 mm-40 -64.75 139.53 58.77 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 -179.835 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.454 ' HB2' ' SG ' ' A' ' 43' ' ' CYS . 34.6 t -57.13 123.16 58.66 Favored Pre-proline 0 C--N 1.322 -0.603 0 O-C-N 123.253 0.346 . . . . 0.0 110.313 -179.5 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -58.39 -41.77 62.35 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.831 2.354 . . . . 0.0 111.904 -179.395 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 40.8 p -87.19 46.27 1.36 Allowed 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.543 179.396 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 50.6 t-105 -144.43 124.54 13.65 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.672 -178.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -150.31 60.06 0.96 Allowed 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 179.208 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 57.7 m -160.45 162.51 33.2 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.349 -178.626 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 95.2 t -78.93 127.35 39.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 178.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.406 ' HB3' ' HG3' ' A' ' 39' ' ' ARG . 5.3 t -68.55 135.19 51.16 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.258 0.551 . . . . 0.0 112.082 -178.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 51.2 mm -105.01 -40.08 5.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.676 178.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.646 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 20.5 t-20 -140.69 156.02 46.33 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.467 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 57.8 tttm -63.71 -34.56 78.13 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 111.97 0.359 . . . . 0.0 111.97 -179.14 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.689 ' HB2' ' HD3' ' A' ' 19' ' ' PRO . 57.9 mtpt -50.27 -57.97 11.21 Favored Pre-proline 0 N--CA 1.472 0.642 0 N-CA-C 112.252 0.464 . . . . 0.0 112.252 -179.16 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.689 ' HD3' ' HB2' ' A' ' 18' ' ' LYS . 81.3 Cg_exo -50.55 -41.13 53.93 Favored 'Trans proline' 0 C--N 1.359 1.091 0 C-N-CA 122.392 2.061 . . . . 0.0 112.177 179.222 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 47.8 t -64.46 -50.09 68.88 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.627 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 60.7 t -58.15 -41.2 80.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.47 179.326 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.04 -42.92 99.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.13 0.491 . . . . 0.0 110.169 179.242 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.878 ' HA ' ' HZ3' ' A' ' 26' ' ' LYS . 8.0 t -63.56 -51.57 64.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.647 179.045 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.501 ' SG ' ' HA3' ' A' ' 32' ' ' GLY . 84.3 m -60.5 -39.95 89.6 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.114 -0.948 . . . . 0.0 111.759 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.92 -40.36 96.29 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.738 -179.493 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.878 ' HZ3' ' HA ' ' A' ' 23' ' ' CYS . 6.1 ptpp? -68.34 -29.32 68.03 Favored 'General case' 0 CA--C 1.529 0.166 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 178.883 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -82.81 7.81 14.11 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.096 179.414 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 75.1 tttt 67.7 36.12 3.74 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 115.569 -0.741 . . . . 0.0 112.303 179.081 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -104.21 146.58 28.57 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.257 -0.645 . . . . 0.0 109.257 177.659 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.2 m -57.96 -49.28 77.33 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.254 -0.43 . . . . 0.0 112.114 -178.461 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -157.98 150.42 22.39 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.882 0.372 . . . . 0.0 111.24 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.501 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -113.06 141.39 16.89 Favored Glycine 0 N--CA 1.445 -0.711 0 CA-C-N 115.852 -0.613 . . . . 0.0 112.657 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.559 ' HE1' HG23 ' A' ' 44' ' ' THR . 40.4 p-80 -133.62 129.23 36.64 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.202 0.525 . . . . 0.0 110.22 179.292 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 61.8 m -75.04 142.27 43.8 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.895 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.894 ' HB3' HD13 ' A' ' 42' ' ' LEU . 5.6 p -79.39 -157.03 0.12 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.811 0.339 . . . . 0.0 110.701 179.651 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -129.02 -46.75 1.23 Allowed 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 111.891 0.33 . . . . 0.0 111.891 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.414 HG21 HD11 ' A' ' 37' ' ' ILE . 62.7 mt -61.3 -66.85 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 CA-C-O 120.738 0.304 . . . . 0.0 111.754 -178.812 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.559 ' HB3' ' HG2' ' A' ' 40' ' ' ARG . 28.6 tp -91.78 -12.49 33.67 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.362 0.601 . . . . 0.0 109.779 179.82 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.406 ' HG3' ' HB3' ' A' ' 14' ' ' CYS . 8.2 tpt180 61.08 32.75 19.72 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 114.949 -1.023 . . . . 0.0 110.982 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.559 ' HG2' ' HB3' ' A' ' 38' ' ' LEU . 10.7 ptt85 -83.08 163.23 21.04 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.791 178.321 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 40.3 t -85.2 107.21 17.15 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 -178.482 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.894 HD13 ' HB3' ' A' ' 35' ' ' SER . 10.0 mp -89.98 119.86 30.7 Favored 'General case' 0 C--N 1.334 -0.1 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 177.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.492 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 86.3 m -96.53 136.77 36.58 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-O 120.888 0.375 . . . . 0.0 110.956 -179.814 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.559 HG23 ' HE1' ' A' ' 33' ' ' HIS . 0.1 OUTLIER -123.05 137.79 54.85 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.436 179.241 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 14.4 pttp -162.37 164.14 27.47 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.939 179.506 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.434 ' HA ' ' O ' ' A' ' 1' ' ' ALA . 0.8 OUTLIER -80.67 136.4 36.19 Favored 'General case' 0 C--N 1.313 -0.978 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.872 179.153 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.244 0.766 0 CA-C-O 118.671 -0.681 . . . . 0.0 109.258 178.67 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 12.5 m . . . . . 0 N--CA 1.455 -0.189 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 59.2 m -121.89 138.16 54.51 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.813 0.34 . . . . 0.0 111.167 -179.314 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.745 ' HD2' HD23 ' A' ' 42' ' ' LEU . 12.0 ttpp -131.11 139.47 49.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.674 -179.684 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -158.53 129.71 6.39 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 178.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.643 ' OE1' ' HG ' ' A' ' 42' ' ' LEU . 0.1 OUTLIER -69.26 141.72 54.32 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 -178.452 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.774 ' SG ' ' HB2' ' A' ' 10' ' ' TRP . 0.7 OUTLIER -46.4 122.52 6.73 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.177 0.923 . . . . 0.0 110.199 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -54.4 -45.09 43.62 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.988 2.458 . . . . 0.0 112.404 -178.359 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.9 p -89.52 44.5 1.21 Allowed 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.411 179.063 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' TRP . . . . . 0.774 ' HB2' ' SG ' ' A' ' 7' ' ' CYS . 23.5 t-105 -136.98 115.54 11.98 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-O 121.058 0.456 . . . . 0.0 111.236 -178.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -150.36 51.44 0.89 Allowed 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.905 0.86 . . . . 0.0 108.806 178.77 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.4 m -154.0 172.96 16.63 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.136 -0.938 . . . . 0.0 110.077 -179.049 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 85.7 t -78.57 122.86 34.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.133 -179.457 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.564 ' HB3' ' HG3' ' A' ' 39' ' ' ARG . 0.7 OUTLIER -74.24 128.06 34.57 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.806 -0.633 . . . . 0.0 111.025 179.372 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 62.3 mt -98.42 -35.6 5.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.457 179.704 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.613 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 18.6 t-20 -139.53 152.42 46.9 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.151 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.564 ' O ' HG23 ' A' ' 21' ' ' VAL . 57.6 tttm -64.34 -36.19 83.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.257 -0.429 . . . . 0.0 112.05 -178.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.653 ' HB2' ' HD3' ' A' ' 19' ' ' PRO . 55.5 mtmt -48.69 -56.82 13.08 Favored Pre-proline 0 N--CA 1.472 0.639 0 N-CA-C 112.748 0.647 . . . . 0.0 112.748 -178.826 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.653 ' HD3' ' HB2' ' A' ' 18' ' ' LYS . 91.9 Cg_exo -49.07 -45.47 29.2 Favored 'Trans proline' 0 C--N 1.358 1.058 0 C-N-CA 122.455 2.103 . . . . 0.0 112.087 179.307 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 43.5 t -63.5 -51.83 63.88 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.12 -0.945 . . . . 0.0 110.68 179.654 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.564 HG23 ' O ' ' A' ' 17' ' ' LYS . 46.8 t -57.14 -37.68 56.97 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.094 179.298 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.06 -48.14 82.67 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.151 178.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 23.1 t -63.02 -49.55 74.18 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-O 121.187 0.518 . . . . 0.0 110.303 179.021 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.678 ' SG ' ' HA3' ' A' ' 32' ' ' GLY . 85.3 m -56.66 -41.36 77.11 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.445 -179.269 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.444 ' HE2' HG12 ' A' ' 21' ' ' VAL . 54.7 mtmt -63.81 -47.09 82.22 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 121.165 -0.214 . . . . 0.0 110.995 179.413 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.44 ' HB2' ' HE2' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -71.56 -12.33 61.31 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 120.615 -0.434 . . . . 0.0 110.832 179.444 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -95.8 -1.21 50.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.342 179.308 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 34.0 ttpt 72.52 49.46 0.2 Allowed 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.582 179.507 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -121.45 147.82 45.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.374 -0.83 . . . . 0.0 109.057 178.176 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.548 ' OG ' ' HA ' ' A' ' 45' ' ' LYS . 1.4 m -58.89 -47.7 84.01 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -178.393 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -164.19 151.36 11.81 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.779 0.323 . . . . 0.0 110.785 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.678 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -115.03 141.84 17.28 Favored Glycine 0 N--CA 1.446 -0.658 0 CA-C-N 115.959 -0.564 . . . . 0.0 112.342 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 21.1 p80 -133.35 129.88 38.05 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 121.314 0.578 . . . . 0.0 110.42 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 62.8 m -72.49 133.82 45.0 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.37 -179.279 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.616 ' HB2' HD13 ' A' ' 42' ' ' LEU . 28.6 t -70.74 162.96 28.17 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.595 -0.729 . . . . 0.0 111.063 -179.506 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 37.2 ttmt -89.36 -29.85 18.81 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.397 179.177 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.456 ' HB ' ' H ' ' A' ' 38' ' ' LEU . 8.6 mt -69.45 -100.64 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.816 -178.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.456 ' H ' ' HB ' ' A' ' 37' ' ' ILE . 21.4 tp -75.82 2.42 12.34 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-O 121.231 0.538 . . . . 0.0 111.177 -179.138 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.564 ' HG3' ' HB3' ' A' ' 14' ' ' CYS . 23.5 tpt180 63.49 29.75 15.34 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.165 -0.925 . . . . 0.0 111.43 179.115 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.454 ' NE ' HD23 ' A' ' 38' ' ' LEU . 84.3 mtt-85 -71.48 155.85 40.12 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.656 178.741 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.499 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 13.2 t -85.12 102.73 13.5 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.5 179.33 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.745 HD23 ' HD2' ' A' ' 4' ' ' LYS . 10.1 mp -88.44 114.45 25.07 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 110.177 -0.305 . . . . 0.0 110.177 179.657 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.453 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 78.0 m -92.88 132.74 36.76 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 179.147 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -121.08 143.6 48.99 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.623 -179.776 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.548 ' HA ' ' OG ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -155.42 171.29 20.13 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.394 0.616 . . . . 0.0 111.379 -179.63 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.606 ' H ' ' CD ' ' A' ' 46' ' ' GLU . 0.4 OUTLIER -78.02 148.24 34.45 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 114.479 -1.237 . . . . 0.0 110.753 179.861 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 30.2 p . . . . . 0 C--O 1.244 0.81 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 179.719 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.4 m . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 52.1 m -96.07 129.97 43.22 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.429 -179.174 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.761 ' HD2' HD23 ' A' ' 42' ' ' LEU . 6.5 ttpp -114.4 135.63 53.88 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.147 179.216 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -160.29 132.65 6.29 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 179.129 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.609 ' HG3' HD12 ' A' ' 42' ' ' LEU . 47.7 mp0 -66.72 137.68 56.85 Favored 'General case' 0 N--CA 1.443 -0.814 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 -179.686 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.429 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 31.0 t -51.56 125.59 28.28 Favored Pre-proline 0 C--N 1.322 -0.598 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.503 -178.731 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 7' ' ' CYS . 47.9 Cg_exo -56.47 -43.08 58.86 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.866 2.377 . . . . 0.0 112.406 -178.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 35.9 p -87.82 50.68 2.04 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.815 179.479 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' TRP . . . . . 0.797 ' HZ2' ' HB2' ' A' ' 14' ' ' CYS . 58.6 t-105 -135.58 115.7 13.32 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.601 -179.577 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 46.9 t0 -150.75 62.97 0.93 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.683 0.754 . . . . 0.0 109.134 179.414 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 56.4 m -158.92 161.94 36.82 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.0 -178.859 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 60.9 t -77.69 115.46 19.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 179.659 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.797 ' HB2' ' HZ2' ' A' ' 10' ' ' TRP . 15.9 t -86.55 144.53 27.17 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.613 -0.721 . . . . 0.0 112.399 -178.524 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 70.1 mt -130.76 -61.09 0.84 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.425 0 CA-C-N 115.348 -0.842 . . . . 0.0 108.934 178.384 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.451 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 16.9 t-20 -81.12 146.78 30.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.509 -0.769 . . . . 0.0 109.24 178.688 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.61 ' HD2' ' HB3' ' A' ' 34' ' ' CYS . 35.1 mmtt -77.75 -29.02 50.83 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -178.406 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.583 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 28.0 ttpp -51.27 -51.8 65.16 Favored Pre-proline 0 CA--C 1.539 0.557 0 N-CA-C 112.281 0.474 . . . . 0.0 112.281 -179.645 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.583 ' HD3' ' HB3' ' A' ' 18' ' ' LYS . 99.3 Cg_exo -49.5 -43.09 40.22 Favored 'Trans proline' 0 C--N 1.361 1.191 0 C-N-CA 122.56 2.173 . . . . 0.0 112.04 179.183 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 47.1 t -65.34 -51.8 58.12 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.232 -0.895 . . . . 0.0 111.016 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 85.6 t -53.99 -41.21 48.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.766 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.38 -44.15 95.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.978 0.418 . . . . 0.0 110.362 178.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.658 ' HA ' ' HE2' ' A' ' 26' ' ' LYS . 3.0 t -62.44 -44.15 97.11 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.874 179.114 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.778 ' SG ' ' HA3' ' A' ' 32' ' ' GLY . 74.9 m -66.04 -41.06 91.38 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.797 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.619 ' HE3' ' O ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -62.9 -46.4 87.98 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.607 -0.269 . . . . 0.0 111.283 -179.628 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.658 ' HE2' ' HA ' ' A' ' 23' ' ' CYS . 50.6 pttt -67.1 -29.15 68.82 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.197 178.885 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -78.98 4.48 14.19 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.435 179.507 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.405 ' HE3' ' HB2' ' A' ' 28' ' ' LYS . 33.2 ttmt 68.96 39.37 1.82 Allowed 'General case' 0 C--O 1.238 0.467 0 C-N-CA 123.243 0.617 . . . . 0.0 112.051 178.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -107.31 148.49 28.95 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 177.86 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.63 ' OG ' ' HA ' ' A' ' 45' ' ' LYS . 1.6 m -55.6 -41.84 73.98 Favored 'General case' 0 C--N 1.329 -0.315 0 O-C-N 123.342 0.401 . . . . 0.0 111.057 -178.921 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -172.36 170.75 4.93 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 178.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.778 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -141.02 152.93 23.53 Favored Glycine 0 C--N 1.314 -0.664 0 C-N-CA 120.546 -0.835 . . . . 0.0 112.879 -178.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 22.9 p80 -135.67 128.75 31.62 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.864 0.84 . . . . 0.0 110.787 -179.677 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.61 ' HB3' ' HD2' ' A' ' 17' ' ' LYS . 53.6 t -69.07 126.41 29.71 Favored 'General case' 0 C--N 1.31 -1.111 0 CA-C-N 114.476 -1.238 . . . . 0.0 110.221 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.612 ' HB3' HD13 ' A' ' 42' ' ' LEU . 72.7 p -80.64 149.55 29.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.983 0.42 . . . . 0.0 111.059 -179.615 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -87.9 -27.54 22.11 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.83 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 51.9 mt -64.69 -82.59 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.903 -0.59 . . . . 0.0 112.565 -178.596 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.591 HD23 ' HD3' ' A' ' 40' ' ' ARG . 20.1 tp -93.19 3.32 55.87 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -178.133 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.688 ' HB3' ' H ' ' A' ' 14' ' ' CYS . 11.4 mpt_? 62.95 28.78 16.43 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.445 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.591 ' HD3' HD23 ' A' ' 38' ' ' LEU . 57.9 mtm180 -88.33 151.5 22.57 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 178.736 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.599 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 41.5 t -82.1 100.97 10.09 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.587 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.761 HD23 ' HD2' ' A' ' 4' ' ' LYS . 10.7 mp -86.06 113.0 21.78 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 110.266 -0.272 . . . . 0.0 110.266 179.604 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.439 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 66.3 m -97.04 141.6 29.99 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.429 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.9 p -125.75 139.32 53.62 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.247 179.718 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.63 ' HA ' ' OG ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -150.62 167.83 26.1 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 120.976 0.417 . . . . 0.0 110.529 -179.948 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.601 ' H ' ' CD ' ' A' ' 46' ' ' GLU . 0.4 OUTLIER -78.26 143.07 37.39 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.694 179.943 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 20.8 p . . . . . 0 C--O 1.242 0.674 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 -179.961 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.3 m . . . . . 0 N--CA 1.456 -0.17 0 N-CA-C 110.086 -0.339 . . . . 0.0 110.086 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 73.1 m -129.06 135.41 48.88 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.022 0.439 . . . . 0.0 111.598 -178.734 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.8 ' HD2' HD23 ' A' ' 42' ' ' LEU . 6.2 ttpp -139.59 138.46 36.21 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.25 179.63 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -162.39 132.42 4.62 Favored 'General case' 0 C--N 1.315 -0.896 0 N-CA-C 108.809 -0.812 . . . . 0.0 108.809 179.007 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.67 ' HG3' HD12 ' A' ' 42' ' ' LEU . 30.8 mp0 -64.45 138.38 58.38 Favored 'General case' 0 N--CA 1.443 -0.816 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 -179.812 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.425 ' HA ' ' HD2' ' A' ' 8' ' ' PRO . 31.5 t -48.52 122.09 10.2 Favored Pre-proline 0 C--N 1.322 -0.611 0 O-C-N 123.853 0.721 . . . . 0.0 110.417 -178.442 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.425 ' HD2' ' HA ' ' A' ' 7' ' ' CYS . 9.5 Cg_endo -54.07 -34.92 79.77 Favored 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 123.326 2.684 . . . . 0.0 112.251 -178.816 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -98.31 47.26 0.99 Allowed 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.225 178.865 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' TRP . . . . . 0.483 ' HZ2' ' HA ' ' A' ' 14' ' ' CYS . 11.7 t-105 -156.99 132.68 9.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.97 -179.599 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -147.63 -20.78 0.37 Allowed 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.867 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.1 m -77.48 179.73 6.31 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.521 -0.763 . . . . 0.0 112.753 -177.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.507 HG13 ' HB2' ' A' ' 39' ' ' ARG . 98.2 t -79.27 132.3 32.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.058 -0.974 . . . . 0.0 111.14 -179.81 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.782 ' H ' ' HB3' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -65.82 132.03 47.73 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.012 179.765 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 53.5 mt -98.53 -27.62 3.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.53 0.681 . . . . 0.0 109.637 179.311 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.57 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 18.3 t-20 -166.99 161.5 15.0 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.46 -0.791 . . . . 0.0 108.959 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.51 ' O ' HG23 ' A' ' 21' ' ' VAL . 54.7 tttm -63.7 -37.37 87.1 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 111.551 0.204 . . . . 0.0 111.551 -178.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.637 ' HB2' ' HD3' ' A' ' 19' ' ' PRO . 38.6 mtmm -51.15 -57.39 14.1 Favored Pre-proline 0 N--CA 1.471 0.584 0 CA-C-O 119.257 -0.401 . . . . 0.0 112.027 -179.48 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.637 ' HD3' ' HB2' ' A' ' 18' ' ' LYS . 90.2 Cg_exo -48.53 -43.91 31.83 Favored 'Trans proline' 0 C--N 1.359 1.103 0 C-N-CA 122.452 2.101 . . . . 0.0 112.023 178.881 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 48.9 t -64.36 -50.81 66.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.796 179.791 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.582 ' O ' ' HG2' ' A' ' 25' ' ' LYS . 70.8 t -55.82 -45.0 79.48 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.22 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.589 179.539 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.89 -44.05 91.1 Favored 'General case' 0 C--O 1.24 0.594 0 CA-C-O 121.173 0.511 . . . . 0.0 110.293 179.182 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 4.8 t -60.0 -46.97 87.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.151 178.723 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.638 ' SG ' ' HA3' ' A' ' 32' ' ' GLY . 78.1 m -66.21 -32.03 73.22 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.098 -0.955 . . . . 0.0 111.514 179.544 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.717 ' HE2' ' HA ' ' A' ' 25' ' ' LYS . 8.7 mmpt? -61.82 -52.06 65.73 Favored 'General case' 0 CA--C 1.518 -0.26 0 N-CA-C 110.182 -0.303 . . . . 0.0 110.182 179.778 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 24.1 pttm -68.96 -25.95 64.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.485 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -78.27 -3.26 41.96 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.925 178.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.421 ' HE3' ' HB2' ' A' ' 28' ' ' LYS . 33.0 ttmt 68.5 56.04 0.48 Allowed 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.639 179.419 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.737 ' HA ' ' HD3' ' A' ' 45' ' ' LYS . 34.1 m-85 -125.05 154.33 41.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.46 178.812 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.749 ' H ' ' HB3' ' A' ' 45' ' ' LYS . 19.9 m -62.84 -50.73 69.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.477 0.18 . . . . 0.0 111.354 -179.218 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -160.71 149.85 16.98 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.532 -0.303 . . . . 0.0 110.57 179.587 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.638 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -114.03 144.23 18.18 Favored Glycine 0 N--CA 1.445 -0.71 0 C-N-CA 121.057 -0.592 . . . . 0.0 112.015 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 24.0 p80 -136.26 129.27 31.27 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 121.316 0.579 . . . . 0.0 110.727 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 37.5 m -70.2 128.83 37.63 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.405 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.646 ' O ' ' HA ' ' A' ' 39' ' ' ARG . 24.1 p -75.5 163.07 27.76 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.857 0.36 . . . . 0.0 110.786 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 39.8 ttpt -89.23 -34.74 16.53 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.011 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 69.6 mt -53.08 -56.94 5.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 112.937 0.717 . . . . 0.0 112.937 -178.509 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.419 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 19.7 tp -138.08 19.5 2.8 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.506 0.669 . . . . 0.0 110.902 -179.027 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.782 ' HB3' ' H ' ' A' ' 14' ' ' CYS . 0.6 OUTLIER 55.62 28.5 12.08 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 114.949 -1.023 . . . . 0.0 112.214 -179.922 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 75.3 mtt-85 -71.37 143.84 50.07 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 178.159 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.503 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 43.5 t -76.76 96.49 4.25 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.372 -179.216 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.8 HD23 ' HD2' ' A' ' 4' ' ' LYS . 10.8 mp -84.4 114.97 22.28 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 179.117 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.458 ' HB3' ' CG ' ' A' ' 29' ' ' PHE . 81.7 m -92.81 133.59 35.9 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 179.361 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.421 HG23 ' HG3' ' A' ' 4' ' ' LYS . 0.8 OUTLIER -123.78 140.23 53.19 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.279 0.562 . . . . 0.0 111.954 -179.065 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.749 ' HB3' ' H ' ' A' ' 30' ' ' SER . 61.3 pttt -161.52 -156.23 0.43 Allowed 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.118 -0.946 . . . . 0.0 108.675 178.706 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -129.46 143.48 50.85 Favored 'General case' 0 N--CA 1.444 -0.742 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 178.894 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 15.6 p . . . . . 0 C--O 1.245 0.851 0 CA-C-O 118.849 -0.596 . . . . 0.0 109.817 -179.215 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 17.9 m . . . . . 0 N--CA 1.453 -0.32 0 CA-C-O 121.093 0.473 . . . . 0.0 110.103 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 64.7 m -95.27 139.41 31.62 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.814 -179.261 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.602 ' HG3' HG23 ' A' ' 44' ' ' THR . 31.5 ttmt -132.6 132.19 42.24 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.5 -179.18 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -167.08 145.2 4.92 Favored 'General case' 0 C--N 1.322 -0.619 0 O-C-N 123.756 0.66 . . . . 0.0 109.226 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.47 ' HA ' ' O ' ' A' ' 41' ' ' CYS . 2.3 mp0 -64.08 146.4 54.25 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 -179.817 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 31.6 t -59.65 126.62 83.29 Favored Pre-proline 0 C--N 1.321 -0.669 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.062 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -54.17 -38.6 87.85 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 123.061 2.507 . . . . 0.0 112.229 -179.18 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 22.7 p -97.36 44.1 1.06 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.098 179.621 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' TRP . . . . . 0.643 ' HH2' ' HB2' ' A' ' 19' ' ' PRO . 25.1 t-105 -146.41 116.36 7.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.008 0.432 . . . . 0.0 111.451 -179.576 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -151.11 67.76 0.92 Allowed 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.912 0.863 . . . . 0.0 108.753 177.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 48.8 m -156.78 168.98 25.81 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 114.988 -1.005 . . . . 0.0 109.607 -178.712 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 58.0 t -77.92 126.07 37.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.08 0.467 . . . . 0.0 110.714 -179.627 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -74.42 133.39 42.42 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.78 -179.696 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 47.5 mm -100.71 -38.29 6.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.435 178.771 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.719 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 20.3 t-20 -144.67 160.72 40.74 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 179.128 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.591 ' HE3' ' CG2' ' A' ' 21' ' ' VAL . 8.5 ttpt -72.73 -30.18 63.96 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.44 0.533 . . . . 0.0 112.44 -178.588 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.729 ' CG ' ' HD3' ' A' ' 19' ' ' PRO . 14.4 ptmm? -53.19 -45.73 98.16 Favored Pre-proline 0 CA--C 1.548 0.869 0 N-CA-C 113.385 0.883 . . . . 0.0 113.385 -178.408 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.729 ' HD3' ' CG ' ' A' ' 18' ' ' LYS . 49.4 Cg_exo -58.96 -40.62 69.71 Favored 'Trans proline' 0 C--N 1.362 1.253 0 C-N-CA 121.746 1.631 . . . . 0.0 111.071 178.53 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.3 t -62.25 -48.65 79.02 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 114.942 -1.026 . . . . 0.0 109.974 179.371 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.591 ' CG2' ' HE3' ' A' ' 17' ' ' LYS . 61.1 t -57.58 -38.03 61.77 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.148 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.885 179.13 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.52 ' O ' ' HG2' ' A' ' 26' ' ' LYS . . . -63.04 -48.58 78.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.217 179.382 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.593 ' O ' ' HG3' ' A' ' 26' ' ' LYS . 5.9 t -60.29 -45.58 92.87 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 121.551 0.691 . . . . 0.0 109.538 178.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.565 ' SG ' ' HA3' ' A' ' 32' ' ' GLY . 71.8 m -64.88 -38.4 90.83 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.222 -0.899 . . . . 0.0 111.659 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -63.81 -46.52 84.75 Favored 'General case' 0 C--N 1.329 -0.319 0 O-C-N 122.477 -0.14 . . . . 0.0 111.059 -179.301 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.593 ' HG3' ' O ' ' A' ' 23' ' ' CYS . 10.4 ptmt -66.92 -27.83 67.81 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 120.816 0.341 . . . . 0.0 110.267 178.731 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -84.58 10.42 11.1 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-O 121.039 0.447 . . . . 0.0 110.674 179.059 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 29.3 tptt 64.29 61.96 0.86 Allowed 'General case' 0 CA--C 1.537 0.46 0 CA-C-O 122.172 0.987 . . . . 0.0 111.533 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.742 ' HA ' ' HB3' ' A' ' 45' ' ' LYS . 70.3 m-85 -132.39 147.56 52.39 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 177.747 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.434 ' OG ' ' HA ' ' A' ' 45' ' ' LYS . 4.3 m -64.45 -48.75 74.11 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 111.971 0.36 . . . . 0.0 111.971 -178.31 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -160.48 139.54 10.57 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.473 -178.611 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.565 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -105.62 141.74 15.43 Favored Glycine 0 N--CA 1.447 -0.628 0 CA-C-N 115.587 -0.733 . . . . 0.0 112.363 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 19.8 p-80 -125.61 131.26 52.72 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 120.933 0.397 . . . . 0.0 110.504 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 87.1 m -67.07 139.43 57.57 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.35 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.788 ' O ' ' HA ' ' A' ' 39' ' ' ARG . 34.6 t -72.69 148.74 44.45 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.487 179.372 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -89.46 -38.4 14.08 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.756 0.312 . . . . 0.0 110.961 -179.72 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 48.9 mt -67.62 -72.19 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.022 -0.535 . . . . 0.0 112.376 -178.686 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 18.1 tp -86.96 -9.85 54.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.153 0.501 . . . . 0.0 110.947 -178.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.788 ' HA ' ' O ' ' A' ' 35' ' ' SER . 10.8 tpt180 64.82 33.34 10.25 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.144 -0.934 . . . . 0.0 111.558 179.756 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.566 ' H ' ' HB3' ' A' ' 35' ' ' SER . 57.8 mtm180 -83.79 -145.54 0.08 Allowed 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.205 178.123 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.47 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 8.9 t -137.71 114.33 10.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.828 0.347 . . . . 0.0 111.202 -179.795 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.47 HD13 ' HB2' ' A' ' 35' ' ' SER . 10.2 mp -101.41 125.15 48.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.733 179.281 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.52 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 59.4 m -99.75 137.49 38.15 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-O 120.821 0.343 . . . . 0.0 111.825 -178.879 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.602 HG23 ' HG3' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -123.34 143.58 50.0 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.008 178.835 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.742 ' HB3' ' HA ' ' A' ' 29' ' ' PHE . 1.0 OUTLIER -160.61 178.32 9.62 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.618 0.723 . . . . 0.0 112.023 -179.888 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.467 ' OE1' ' HB2' ' A' ' 45' ' ' LYS . 5.0 pm0 -79.28 140.64 37.54 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 113.962 -1.472 . . . . 0.0 111.263 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 31.5 p . . . . . 0 C--O 1.242 0.684 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 178.927 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 16.9 m . . . . . 0 N--CA 1.454 -0.245 0 N-CA-C 110.275 -0.269 . . . . 0.0 110.275 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 16.8 m -103.88 132.83 49.75 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.583 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.566 ' HD3' ' HG ' ' A' ' 42' ' ' LEU . 0.4 OUTLIER -133.29 132.31 41.23 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 -179.694 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.561 ' N ' ' HD2' ' A' ' 4' ' ' LYS . . . -161.57 135.75 6.88 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 179.187 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.561 ' HG3' HD12 ' A' ' 42' ' ' LEU . 8.9 mp0 -69.07 145.43 53.46 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 -179.821 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.771 ' SG ' ' HB2' ' A' ' 10' ' ' TRP . 0.5 OUTLIER -48.6 124.24 11.93 Favored Pre-proline 0 C--N 1.322 -0.622 0 O-C-N 123.841 0.713 . . . . 0.0 110.336 179.674 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_endo -55.35 -43.89 54.09 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.908 2.405 . . . . 0.0 111.962 -178.832 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.1 p -91.97 48.56 1.44 Allowed 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.225 178.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' TRP . . . . . 0.771 ' HB2' ' SG ' ' A' ' 7' ' ' CYS . 17.5 t-105 -137.69 116.74 12.49 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 121.308 0.575 . . . . 0.0 111.569 -178.837 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 47.9 p-10 -132.03 -4.18 3.54 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.134 179.497 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.6 t -100.6 -169.21 1.68 Allowed 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.79 -178.557 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 86.5 t -88.47 128.4 40.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.338 -0.846 . . . . 0.0 111.495 -179.464 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.475 ' HA ' ' HZ2' ' A' ' 10' ' ' TRP . 35.5 t -81.63 103.22 11.19 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 178.867 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 62.8 mt -98.4 -53.83 7.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-O 120.876 0.37 . . . . 0.0 110.705 -178.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.529 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 14.7 t-20 -101.7 144.74 30.03 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.075 179.795 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.439 ' O ' HG23 ' A' ' 21' ' ' VAL . 64.6 tttp -67.14 -33.6 75.79 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.809 -179.538 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.699 ' HB2' ' HD3' ' A' ' 19' ' ' PRO . 35.1 mmtp -52.52 -57.33 16.1 Favored Pre-proline 0 CA--C 1.539 0.525 0 N-CA-C 112.429 0.529 . . . . 0.0 112.429 -179.234 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.699 ' HD3' ' HB2' ' A' ' 18' ' ' LYS . 82.7 Cg_exo -51.32 -44.15 44.93 Favored 'Trans proline' 0 C--N 1.357 0.992 0 C-N-CA 122.533 2.156 . . . . 0.0 112.296 179.505 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 37.0 t -63.96 -52.41 59.79 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.711 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.451 HG12 ' HE3' ' A' ' 25' ' ' LYS . 92.7 t -57.52 -37.02 55.87 Favored 'Isoleucine or valine' 0 C--O 1.232 0.184 0 CA-C-O 120.809 0.338 . . . . 0.0 110.457 179.28 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.02 -44.73 96.98 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.156 178.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.627 ' O ' ' HG3' ' A' ' 26' ' ' LYS . 14.1 t -67.95 -43.96 77.9 Favored 'General case' 0 CA--C 1.514 -0.419 0 CA-C-O 121.469 0.652 . . . . 0.0 110.285 178.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.505 ' SG ' ' HA3' ' A' ' 32' ' ' GLY . 75.2 m -59.64 -44.29 93.56 Favored 'General case' 0 C--N 1.311 -1.07 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.415 -179.164 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.451 ' HE3' HG12 ' A' ' 21' ' ' VAL . 17.9 ptpt -66.52 -38.39 87.09 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.52 -0.472 . . . . 0.0 111.287 179.729 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.627 ' HG3' ' O ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -69.2 -22.19 63.9 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 120.336 -0.546 . . . . 0.0 110.285 178.937 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -96.79 9.65 41.15 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 121.183 0.516 . . . . 0.0 110.547 179.092 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 78.1 tttt 64.68 54.26 1.43 Allowed 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 115.302 -0.863 . . . . 0.0 112.345 179.294 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.752 ' HA ' ' HD3' ' A' ' 45' ' ' LYS . 35.3 m-85 -122.23 146.74 46.98 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 177.716 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.667 ' H ' ' HB3' ' A' ' 45' ' ' LYS . 6.3 m -63.95 -45.7 88.01 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 112.977 0.732 . . . . 0.0 112.977 -178.054 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -154.82 153.42 31.14 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.893 0.377 . . . . 0.0 111.854 -179.241 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.505 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -119.63 142.04 16.05 Favored Glycine 0 N--CA 1.447 -0.621 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.862 179.382 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 30.8 p80 -144.86 137.42 26.29 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.031 0.443 . . . . 0.0 111.277 -179.283 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 27.3 m -69.91 137.07 51.28 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.826 179.317 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.621 ' HB3' HD13 ' A' ' 42' ' ' LEU . 13.0 p -82.38 171.26 14.39 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.973 0.416 . . . . 0.0 111.292 -179.713 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -89.36 -31.32 17.83 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.43 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.499 ' HB ' ' H ' ' A' ' 38' ' ' LEU . 3.5 mt -67.72 -105.88 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 CA-C-O 121.25 0.548 . . . . 0.0 112.172 -178.347 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.499 ' H ' ' HB ' ' A' ' 37' ' ' ILE . 22.8 tp -73.0 4.03 4.71 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.223 -179.033 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.521 ' HD2' ' O ' ' A' ' 35' ' ' SER . 20.6 tpt180 62.37 32.64 16.82 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.191 -0.913 . . . . 0.0 110.695 179.818 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 68.9 mtt-85 -75.59 153.63 37.22 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.719 178.783 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.475 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 3.8 t -78.25 107.53 10.91 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 178.578 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.621 HD13 ' HB3' ' A' ' 35' ' ' SER . 9.8 mp -94.42 121.16 35.67 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.651 -0.249 . . . . 0.0 110.991 -179.824 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 72.7 m -96.13 134.42 39.22 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 178.345 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -129.02 141.72 51.14 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 120.967 0.413 . . . . 0.0 111.614 -178.781 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.752 ' HD3' ' HA ' ' A' ' 29' ' ' PHE . 59.9 pttt -160.72 157.26 26.67 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.715 179.459 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.6 pm0 -77.62 146.49 36.13 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-O 121.015 0.436 . . . . 0.0 110.555 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 28.1 p . . . . . 0 C--O 1.252 1.218 0 CA-C-O 117.581 -1.199 . . . . 0.0 109.212 -179.638 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 11.4 m . . . . . 0 N--CA 1.455 -0.222 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.432 ' O ' ' HA ' ' A' ' 44' ' ' THR . 34.6 m -116.87 132.97 56.56 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.019 0.438 . . . . 0.0 111.784 -178.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.545 ' HD2' ' N ' ' A' ' 5' ' ' ALA . 0.4 OUTLIER -113.29 128.35 56.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.518 -0.764 . . . . 0.0 109.607 179.611 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.545 ' N ' ' HD2' ' A' ' 4' ' ' LYS . . . -158.49 125.98 5.04 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 178.628 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.472 ' HG2' ' CD ' ' A' ' 40' ' ' ARG . 52.2 mp0 -63.25 143.44 57.79 Favored 'General case' 0 N--CA 1.446 -0.632 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 -179.656 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 35.8 t -51.89 128.08 36.35 Favored Pre-proline 0 C--N 1.324 -0.543 0 O-C-N 123.545 0.528 . . . . 0.0 110.54 -178.767 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_exo -52.47 -42.56 60.57 Favored 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 123.025 2.483 . . . . 0.0 112.413 -178.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 40.6 p -92.09 49.74 1.57 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.135 179.014 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 7.5 t-105 -154.28 135.98 14.41 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.478 -179.259 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -150.11 -29.84 0.22 Allowed 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.464 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 18.3 m -71.99 174.28 7.25 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.202 -0.908 . . . . 0.0 113.061 -177.882 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.468 HG13 ' HB3' ' A' ' 39' ' ' ARG . 69.0 t -78.1 130.23 36.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 114.868 -1.06 . . . . 0.0 110.91 -179.775 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -84.86 135.58 34.02 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.602 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.6 mp -99.82 -50.94 10.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.058 178.85 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.633 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 27.3 t30 -122.44 151.2 41.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.112 -179.452 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.463 ' HZ1' ' CG ' ' A' ' 31' ' ' ASP . 63.0 tttp -63.21 -33.91 76.52 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 -178.813 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.571 ' HB2' ' HD3' ' A' ' 19' ' ' PRO . 42.5 mmtm -50.52 -57.73 12.23 Favored Pre-proline 0 N--CA 1.474 0.732 0 N-CA-C 112.44 0.533 . . . . 0.0 112.44 -179.035 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.633 ' HD2' ' O ' ' A' ' 16' ' ' ASN . 85.8 Cg_exo -51.14 -42.3 53.95 Favored 'Trans proline' 0 C--N 1.358 1.026 0 C-N-CA 122.421 2.081 . . . . 0.0 112.136 179.225 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.7 t -62.81 -52.24 63.92 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.786 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 90.3 t -56.45 -41.43 72.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.836 179.619 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.46 -44.88 95.42 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 120.99 0.424 . . . . 0.0 110.539 179.327 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.642 ' HA ' ' HE2' ' A' ' 26' ' ' LYS . 2.9 t -63.44 -44.86 93.31 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 121.555 0.693 . . . . 0.0 109.791 179.16 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.485 ' HB3' ' HB2' ' A' ' 29' ' ' PHE . 79.0 m -65.44 -39.76 92.45 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.751 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.493 ' HD3' ' HA ' ' A' ' 25' ' ' LYS . 24.3 mmtp -64.92 -44.14 90.48 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 111.523 0.194 . . . . 0.0 111.523 -179.603 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.642 ' HE2' ' HA ' ' A' ' 23' ' ' CYS . 62.0 pttt -66.38 -31.43 72.19 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.605 -0.438 . . . . 0.0 110.173 179.213 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -84.94 4.79 31.9 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-O 120.899 0.381 . . . . 0.0 111.234 179.477 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.513 ' O ' ' HD3' ' A' ' 45' ' ' LYS . 7.8 tmtt? 66.55 70.84 0.4 Allowed 'General case' 0 C--O 1.233 0.201 0 C-N-CA 123.533 0.733 . . . . 0.0 111.386 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.585 ' HA ' ' HB3' ' A' ' 45' ' ' LYS . 60.2 m-85 -134.33 146.12 49.67 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.313 -0.858 . . . . 0.0 108.716 177.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.496 ' OG ' ' HA ' ' A' ' 45' ' ' LYS . 8.7 m -59.53 -46.49 88.7 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 111.841 0.312 . . . . 0.0 111.841 -178.577 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.463 ' CG ' ' HZ1' ' A' ' 17' ' ' LYS . 28.6 t70 -159.76 149.09 17.98 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.9 0.381 . . . . 0.0 110.874 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.481 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -108.38 134.14 12.06 Favored Glycine 0 N--CA 1.442 -0.909 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.927 179.596 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 18.4 p80 -134.42 125.49 27.61 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 121.692 0.758 . . . . 0.0 110.758 179.749 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 52.8 m -74.11 138.19 43.76 Favored 'General case' 0 C--N 1.307 -1.28 0 CA-C-N 115.093 -0.958 . . . . 0.0 109.982 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.413 ' HB3' HD13 ' A' ' 42' ' ' LEU . 6.4 p -74.18 -159.54 0.08 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.086 0.47 . . . . 0.0 111.779 -178.7 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 41.3 ttmt -125.3 -46.6 1.77 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.476 -179.558 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.627 ' H ' HD12 ' A' ' 37' ' ' ILE . 4.7 mp -66.52 -69.76 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 120.734 0.302 . . . . 0.0 111.02 -179.017 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.813 HD23 ' HD3' ' A' ' 40' ' ' ARG . 16.3 tp -81.21 -19.67 42.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.432 0.634 . . . . 0.0 109.327 179.435 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.468 ' HB3' HG13 ' A' ' 13' ' ' VAL . 28.8 tpt180 62.34 23.6 13.99 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 114.715 -1.13 . . . . 0.0 111.443 179.214 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.813 ' HD3' HD23 ' A' ' 38' ' ' LEU . 37.8 ptt180 -82.29 161.91 22.47 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 178.29 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 35.8 t -76.57 107.17 8.66 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 112.916 0.709 . . . . 0.0 112.916 -178.423 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.423 HD12 ' HG3' ' A' ' 6' ' ' GLU . 11.2 mp -92.01 123.96 35.75 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 177.672 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.475 ' HB3' ' CG ' ' A' ' 29' ' ' PHE . 70.9 m -102.54 136.55 42.17 Favored 'General case' 0 C--N 1.317 -0.837 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.618 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.432 ' HA ' ' O ' ' A' ' 3' ' ' CYS . 0.7 OUTLIER -122.31 141.04 51.95 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.126 179.414 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.585 ' HB3' ' HA ' ' A' ' 29' ' ' PHE . 50.7 pttt -154.55 -178.87 7.47 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.219 0.533 . . . . 0.0 111.75 -179.646 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.406 ' OE1' ' HB2' ' A' ' 45' ' ' LYS . 2.1 pm0 -79.54 148.85 31.63 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-N 114.612 -1.176 . . . . 0.0 111.286 -179.574 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 31.6 p . . . . . 0 C--O 1.245 0.828 0 CA-C-N 115.125 -0.943 . . . . 0.0 108.758 179.273 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.1 m . . . . . 0 N--CA 1.454 -0.251 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 28.0 m -114.8 137.81 51.5 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.818 0.342 . . . . 0.0 111.084 -179.49 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.54 ' HD2' ' N ' ' A' ' 5' ' ' ALA . 0.4 OUTLIER -133.33 129.54 37.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.75 -179.488 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.54 ' N ' ' HD2' ' A' ' 4' ' ' LYS . . . -159.72 135.37 8.46 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.16 -0.682 . . . . 0.0 109.16 178.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.65 ' OE2' ' HG ' ' A' ' 42' ' ' LEU . 8.5 mp0 -65.01 138.62 58.47 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 -179.742 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.429 ' HB3' ' HB2' ' A' ' 10' ' ' TRP . 40.3 t -52.4 126.3 37.53 Favored Pre-proline 0 C--N 1.321 -0.641 0 O-C-N 123.497 0.498 . . . . 0.0 110.577 -178.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -54.43 -42.5 67.34 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 123.032 2.488 . . . . 0.0 112.279 -179.218 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 23.9 p -90.63 46.02 1.3 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.636 179.222 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' TRP . . . . . 0.429 ' HB2' ' HB3' ' A' ' 7' ' ' CYS . 35.9 t-105 -144.83 119.29 9.65 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.558 -179.578 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -150.34 53.07 0.9 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.779 0.8 . . . . 0.0 109.108 179.364 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.0 p -152.17 171.37 18.02 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.366 -0.833 . . . . 0.0 110.731 -178.747 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 58.2 t -78.6 132.2 32.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.314 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.865 ' HB2' ' HG3' ' A' ' 39' ' ' ARG . 1.2 m -63.14 130.71 45.81 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.897 -0.592 . . . . 0.0 112.12 -179.702 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 45.2 mm -99.37 -27.67 3.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.602 -0.727 . . . . 0.0 109.213 178.601 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.591 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 20.2 t-20 -166.8 162.1 15.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.227 -0.897 . . . . 0.0 108.857 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.469 ' O ' HG23 ' A' ' 21' ' ' VAL . 55.9 tttm -67.5 -34.11 76.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.285 0.088 . . . . 0.0 110.905 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.574 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 0.1 OUTLIER -51.64 -56.7 18.75 Favored Pre-proline 0 CA--C 1.54 0.576 0 CA-C-N 116.592 -0.276 . . . . 0.0 111.284 -179.493 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.591 ' HD2' ' O ' ' A' ' 16' ' ' ASN . 80.1 Cg_exo -50.96 -44.49 41.68 Favored 'Trans proline' 0 C--N 1.36 1.133 0 C-N-CA 122.495 2.13 . . . . 0.0 111.834 178.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 51.3 t -62.05 -51.73 66.82 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.848 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 17' ' ' LYS . 98.9 t -57.16 -39.63 68.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.68 179.496 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.57 -44.16 97.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.91 0.385 . . . . 0.0 110.486 179.168 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.553 ' O ' ' HG3' ' A' ' 26' ' ' LYS . 4.9 t -63.26 -44.73 94.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.585 0.707 . . . . 0.0 109.394 178.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.61 ' SG ' ' HA3' ' A' ' 32' ' ' GLY . 71.6 m -64.9 -37.35 87.35 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.382 179.744 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.489 ' HD3' ' HA ' ' A' ' 25' ' ' LYS . 18.6 mmtp -65.03 -43.61 91.84 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 121.258 -0.177 . . . . 0.0 111.207 179.697 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.553 ' HG3' ' O ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -68.71 -25.68 64.89 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 178.686 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -84.05 -1.9 55.69 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.925 179.241 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 34.9 ttmt 72.39 45.71 0.34 Allowed 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 123.5 0.72 . . . . 0.0 111.925 179.303 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -115.13 147.79 39.79 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.843 -0.428 . . . . 0.0 109.843 178.462 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.518 ' OG ' ' HA ' ' A' ' 45' ' ' LYS . 1.7 m -57.47 -47.68 81.21 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.388 0.514 . . . . 0.0 112.388 -178.326 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -164.16 144.91 8.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.924 0.392 . . . . 0.0 110.987 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.61 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -107.98 141.16 15.69 Favored Glycine 0 N--CA 1.445 -0.738 0 CA-C-N 115.866 -0.607 . . . . 0.0 112.934 -179.519 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 10.9 p80 -133.59 131.36 39.57 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.05 0.453 . . . . 0.0 110.153 179.164 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 67.3 m -74.52 140.83 44.77 Favored 'General case' 0 C--N 1.311 -1.089 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.71 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.458 ' O ' ' HD3' ' A' ' 39' ' ' ARG . 12.1 p -77.97 -165.12 0.6 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.017 0.437 . . . . 0.0 111.599 -179.248 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.484 ' HA ' ' NH1' ' A' ' 39' ' ' ARG . 23.8 pttm -117.1 -19.06 9.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.745 -179.749 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.444 ' HB ' ' H ' ' A' ' 38' ' ' LEU . 16.6 mt -77.99 -100.74 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.804 0.335 . . . . 0.0 110.512 -179.561 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.444 ' H ' ' HB ' ' A' ' 37' ' ' ILE . 26.8 tp -73.44 -2.76 23.76 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.339 0.59 . . . . 0.0 110.367 179.532 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.865 ' HG3' ' HB2' ' A' ' 14' ' ' CYS . 12.9 tpp180 67.27 32.16 6.15 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 114.845 -1.07 . . . . 0.0 110.51 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 82.6 mtt-85 -69.12 152.47 45.12 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.208 178.475 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.42 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 24.9 t -82.19 104.55 12.6 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.787 179.607 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.65 ' HG ' ' OE2' ' A' ' 6' ' ' GLU . 10.8 mp -86.94 117.39 25.63 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 179.158 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.407 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 76.6 m -94.51 131.62 40.04 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-O 120.966 0.412 . . . . 0.0 110.573 179.769 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -115.16 144.55 43.51 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.833 179.252 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.518 ' HA ' ' OG ' ' A' ' 30' ' ' SER . 10.5 ptmm? -157.3 165.01 37.0 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 120.971 0.415 . . . . 0.0 110.589 -179.712 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.575 ' H ' ' CD ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -79.56 145.62 33.04 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.524 179.372 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 28.6 p . . . . . 0 C--O 1.251 1.173 0 CA-C-O 117.395 -1.288 . . . . 0.0 109.048 179.995 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.5 m . . . . . 0 N--CA 1.455 -0.211 0 N-CA-C 110.206 -0.294 . . . . 0.0 110.206 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 33.5 m -114.77 138.73 50.39 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.788 0.327 . . . . 0.0 110.642 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.506 ' HD2' HD23 ' A' ' 42' ' ' LEU . 13.9 ttpp -150.91 121.11 7.24 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.161 -179.117 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -160.48 152.45 20.11 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.232 179.377 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.622 ' HA ' ' O ' ' A' ' 41' ' ' CYS . 24.3 mt-10 -65.45 141.8 58.39 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.81 0.338 . . . . 0.0 110.809 -179.452 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.4 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 44.4 t -52.74 126.05 39.85 Favored Pre-proline 0 C--N 1.326 -0.452 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.939 -179.008 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 7' ' ' CYS . 43.9 Cg_exo -57.26 -41.71 70.45 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.919 2.413 . . . . 0.0 112.369 -179.344 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 38.8 p -90.99 43.71 1.16 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.032 179.668 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' TRP . . . . . 0.546 ' HB2' ' SG ' ' A' ' 23' ' ' CYS . 23.2 t-105 -146.35 123.73 11.65 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.51 -179.716 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.6 ' HA ' ' HD2' ' A' ' 40' ' ' ARG . 11.5 t70 -151.2 59.85 0.9 Allowed 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.722 0.773 . . . . 0.0 108.99 178.822 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.4 ' O ' ' HA ' ' A' ' 40' ' ' ARG . 22.5 t -146.66 170.61 16.58 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.171 -0.922 . . . . 0.0 109.466 -179.09 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 57.5 t -77.97 127.67 38.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 121.104 0.478 . . . . 0.0 110.972 -179.53 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.526 ' HB2' ' O ' ' A' ' 40' ' ' ARG . 3.8 t -66.8 119.83 12.52 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.787 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 48.4 mm -99.17 -34.37 4.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.203 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.533 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 5.7 t-20 -159.34 165.99 32.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.837 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.505 ' O ' HG23 ' A' ' 21' ' ' VAL . 55.9 tttm -64.0 -41.86 97.35 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 -178.494 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.768 ' HG3' ' HD3' ' A' ' 19' ' ' PRO . 1.2 pttm -49.57 -55.33 23.3 Favored Pre-proline 0 N--CA 1.475 0.804 0 N-CA-C 113.539 0.94 . . . . 0.0 113.539 -178.293 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.768 ' HD3' ' HG3' ' A' ' 18' ' ' LYS . 57.9 Cg_exo -54.3 -44.79 46.15 Favored 'Trans proline' 0 C--N 1.356 0.953 0 C-N-CA 121.795 1.663 . . . . 0.0 111.78 179.595 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 41.5 t -61.56 -47.5 85.26 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.262 -0.881 . . . . 0.0 109.913 179.139 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.505 HG23 ' O ' ' A' ' 17' ' ' LYS . 71.5 t -56.66 -43.43 78.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.68 178.716 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.39 -45.46 84.5 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.741 179.591 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.546 ' SG ' ' HB2' ' A' ' 10' ' ' TRP . 4.5 t -63.8 -44.49 93.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.442 0.639 . . . . 0.0 109.808 179.055 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.723 ' SG ' ' HA3' ' A' ' 32' ' ' GLY . 70.3 m -63.69 -37.49 87.55 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.617 -0.719 . . . . 0.0 111.439 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.499 ' HG2' ' O ' ' A' ' 21' ' ' VAL . 0.5 OUTLIER -65.77 -45.43 82.55 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 121.277 -0.169 . . . . 0.0 111.104 179.925 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.523 ' HG3' ' O ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -67.31 -26.36 66.48 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 120.65 -0.42 . . . . 0.0 110.445 179.34 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -81.23 -1.48 45.05 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.883 179.462 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 29.0 ttmt 71.07 43.67 0.64 Allowed 'General case' 0 C--O 1.236 0.369 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.598 179.367 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -109.07 150.21 28.15 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 178.109 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.504 ' OG ' ' HA ' ' A' ' 45' ' ' LYS . 9.4 p -60.04 -43.33 95.43 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 120.709 0.29 . . . . 0.0 111.127 -179.168 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -169.55 159.25 8.29 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.686 178.479 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.723 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -121.42 157.65 16.26 Favored Glycine 0 N--CA 1.446 -0.654 0 CA-C-N 115.844 -0.616 . . . . 0.0 112.245 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 32.7 p80 -139.26 145.33 39.06 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.973 0.416 . . . . 0.0 110.692 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 8.2 t -59.29 143.78 48.31 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.17 179.586 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.834 ' HB3' HD13 ' A' ' 42' ' ' LEU . 2.7 p -99.19 -157.27 0.59 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.775 0.321 . . . . 0.0 111.144 -179.746 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 39.9 ttpt -150.32 -39.47 0.14 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.366 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 27.6 mt -55.34 -76.93 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 CA-C-O 120.941 0.401 . . . . 0.0 111.034 -179.227 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.401 HD12 ' HA ' ' A' ' 38' ' ' LEU . 15.8 tp -91.44 -11.81 36.54 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 178.846 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.415 ' HA ' ' HD2' ' A' ' 39' ' ' ARG . 10.6 tpt180 64.08 35.53 10.38 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 113.886 -1.506 . . . . 0.0 111.229 179.428 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.6 ' HD2' ' HA ' ' A' ' 11' ' ' ASP . 69.3 mtm180 -87.46 -91.22 0.11 Allowed 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.535 -0.466 . . . . 0.0 111.131 178.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.622 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 4.0 t -176.23 106.76 0.07 Allowed 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 111.863 0.32 . . . . 0.0 111.863 -179.156 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.834 HD13 ' HB3' ' A' ' 35' ' ' SER . 5.6 mp -87.39 121.39 29.77 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 120.709 0.29 . . . . 0.0 110.951 178.369 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.499 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 67.8 m -98.9 140.55 32.9 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.238 178.922 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.467 HG22 ' HB2' ' A' ' 4' ' ' LYS . 1.2 p -118.27 143.9 46.22 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.017 179.608 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.504 ' HA ' ' OG ' ' A' ' 30' ' ' SER . 17.7 ptmt -160.92 166.77 27.86 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.118 0.485 . . . . 0.0 111.328 -179.74 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -79.46 150.79 31.14 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.008 -0.996 . . . . 0.0 110.324 178.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 29.4 p . . . . . 0 C--O 1.252 1.202 0 CA-C-O 117.469 -1.253 . . . . 0.0 109.016 179.631 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 5.8 m . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.431 ' O ' ' HA ' ' A' ' 44' ' ' THR . 64.5 m -116.84 134.59 54.59 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 112.497 0.554 . . . . 0.0 112.497 -177.678 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.529 ' HD2' ' N ' ' A' ' 5' ' ' ALA . 0.5 OUTLIER -130.09 128.94 42.9 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.576 179.792 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.529 ' N ' ' HD2' ' A' ' 4' ' ' LYS . . . -158.76 128.45 5.71 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 178.836 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.632 ' HG3' HD12 ' A' ' 42' ' ' LEU . 41.8 mp0 -64.24 140.35 58.86 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 -179.831 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 49.5 t -51.31 125.11 24.9 Favored Pre-proline 0 C--N 1.322 -0.616 0 O-C-N 123.665 0.603 . . . . 0.0 110.448 -179.053 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -53.88 -41.6 73.43 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.914 2.409 . . . . 0.0 112.11 -179.035 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 21.9 p -90.86 43.56 1.15 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.587 179.023 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' TRP . . . . . 0.671 ' HZ2' ' HA ' ' A' ' 14' ' ' CYS . 10.0 t-105 -150.32 85.91 1.4 Allowed 'General case' 0 N--CA 1.45 -0.47 0 CA-C-O 121.666 0.746 . . . . 0.0 111.248 -179.52 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 1.046 ' HA ' HH12 ' A' ' 40' ' ' ARG . 12.3 p-10 -103.79 -9.62 18.9 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-N 115.326 -0.852 . . . . 0.0 109.814 178.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.1 t -82.21 -176.78 6.35 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.173 -0.922 . . . . 0.0 112.267 -178.677 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 88.3 t -85.13 130.04 36.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.046 -0.979 . . . . 0.0 111.416 -179.602 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.671 ' HA ' ' HZ2' ' A' ' 10' ' ' TRP . 1.9 t -80.1 126.47 31.12 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.363 178.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 56.4 mt -98.99 -39.59 8.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 120.916 0.389 . . . . 0.0 111.182 -179.478 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.611 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 19.6 t-20 -144.11 160.94 40.04 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.398 -178.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.449 ' O ' HG23 ' A' ' 21' ' ' VAL . 63.5 tttp -65.04 -36.31 83.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.286 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.74 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 22.6 tptp -51.47 -57.31 14.79 Favored Pre-proline 0 CA--C 1.54 0.595 0 CA-C-O 119.476 -0.297 . . . . 0.0 111.767 -179.464 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.74 ' HD3' ' HB3' ' A' ' 18' ' ' LYS . 65.9 Cg_exo -56.11 -42.12 69.71 Favored 'Trans proline' 0 C--N 1.356 0.954 0 C-N-CA 122.326 2.017 . . . . 0.0 111.267 178.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 38.9 t -60.58 -51.4 69.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.182 -0.917 . . . . 0.0 110.713 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 17' ' ' LYS . 95.3 t -57.16 -36.44 51.65 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.109 0 CA-C-N 116.57 -0.286 . . . . 0.0 110.612 179.272 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.46 -46.24 87.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.85 0.357 . . . . 0.0 110.463 178.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.593 ' O ' ' HG3' ' A' ' 26' ' ' LYS . 4.1 t -64.73 -44.37 90.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.551 0.691 . . . . 0.0 109.497 179.08 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.57 ' SG ' ' HA3' ' A' ' 32' ' ' GLY . 78.2 m -64.52 -36.04 82.93 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.996 179.477 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.403 ' HD3' ' HA ' ' A' ' 25' ' ' LYS . 9.6 tppt? -65.82 -44.69 84.83 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.618 -0.264 . . . . 0.0 110.835 -179.738 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.593 ' HG3' ' O ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -66.9 -27.11 67.23 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-O 121.008 0.432 . . . . 0.0 109.962 178.927 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -81.07 -0.83 41.69 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.517 178.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.445 ' HB2' ' HE3' ' A' ' 28' ' ' LYS . 27.0 ttmt 71.55 35.98 1.36 Allowed 'General case' 0 C--O 1.237 0.405 0 CA-C-N 115.278 -0.874 . . . . 0.0 111.907 179.171 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.416 ' CD2' ' HG2' ' A' ' 45' ' ' LYS . 19.2 m-85 -102.12 148.67 25.11 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.8 178.207 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.512 ' OG ' ' HA ' ' A' ' 45' ' ' LYS . 0.9 OUTLIER -60.09 -49.45 77.62 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.958 -0.564 . . . . 0.0 112.129 -178.596 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.425 ' CG ' ' HZ1' ' A' ' 17' ' ' LYS . 4.9 t70 -158.09 145.96 18.51 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.862 0.363 . . . . 0.0 111.433 -179.584 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.57 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -109.6 141.2 16.03 Favored Glycine 0 N--CA 1.447 -0.608 0 CA-C-N 115.76 -0.655 . . . . 0.0 112.032 179.616 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 7.9 p80 -130.7 132.99 45.7 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.266 0.555 . . . . 0.0 111.356 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 2.9 t -68.67 133.95 49.18 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.161 -0.927 . . . . 0.0 109.619 179.521 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.77 ' HB3' HD13 ' A' ' 42' ' ' LEU . 54.6 p -87.8 -156.08 0.33 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.383 0.611 . . . . 0.0 112.188 -178.666 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -133.58 -34.28 1.05 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.667 -179.364 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.482 ' HB ' ' H ' ' A' ' 38' ' ' LEU . 5.7 mt -61.28 -98.96 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 CA-C-O 121.447 0.641 . . . . 0.0 111.678 -178.788 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.482 ' H ' ' HB ' ' A' ' 37' ' ' ILE . 23.3 tp -79.93 2.76 22.2 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.59 0.71 . . . . 0.0 109.945 -179.844 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 23.8 tpt180 63.63 31.95 14.22 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 114.487 -1.233 . . . . 0.0 110.841 179.742 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 1.046 HH12 ' HA ' ' A' ' 11' ' ' ASP . 74.9 mtt-85 -75.52 156.86 34.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.497 178.596 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.422 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 11.3 t -85.32 100.12 11.6 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.368 -0.378 . . . . 0.0 109.987 178.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.77 HD13 ' HB3' ' A' ' 35' ' ' SER . 10.6 mp -81.68 122.15 27.27 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.3 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.401 ' HB2' ' O ' ' A' ' 5' ' ' ALA . 64.0 m -103.09 136.16 43.41 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 120.817 0.341 . . . . 0.0 110.418 179.718 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.431 ' HA ' ' O ' ' A' ' 3' ' ' CYS . 0.2 OUTLIER -121.15 140.69 51.65 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.615 179.727 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.512 ' HA ' ' OG ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -160.94 165.29 30.23 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.271 179.549 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.599 ' H ' ' CD ' ' A' ' 46' ' ' GLU . 0.5 OUTLIER -80.16 124.55 28.88 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 114.999 -1.0 . . . . 0.0 110.446 179.414 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.245 0.864 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 178.738 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 13.4 m . . . . . 0 N--CA 1.455 -0.21 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 56.0 m -115.7 128.88 56.22 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.953 0.406 . . . . 0.0 111.249 -179.144 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.636 ' HD3' ' HG ' ' A' ' 42' ' ' LEU . 0.5 OUTLIER -119.85 134.82 55.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.536 -179.84 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.589 ' N ' ' HD2' ' A' ' 4' ' ' LYS . . . -163.03 136.16 5.7 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 179.06 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.536 ' HG3' HD12 ' A' ' 42' ' ' LEU . 9.7 mp0 -66.34 139.22 58.02 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 -179.867 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.418 ' HB2' ' SG ' ' A' ' 43' ' ' CYS . 48.4 t -54.17 123.63 42.39 Favored Pre-proline 0 C--N 1.322 -0.6 0 O-C-N 123.456 0.473 . . . . 0.0 110.245 -179.431 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_endo -56.2 -41.86 72.25 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.884 2.389 . . . . 0.0 111.833 -179.295 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 35.9 p -86.8 44.48 1.17 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.396 178.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 38.3 t-105 -148.34 122.0 9.23 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-O 121.077 0.465 . . . . 0.0 111.539 -178.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -151.22 66.66 0.9 Allowed 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 178.19 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 9.2 t -161.9 179.51 7.99 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.776 -179.049 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.409 HG13 ' HG2' ' A' ' 39' ' ' ARG . 60.6 t -78.84 117.84 25.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 121.226 0.536 . . . . 0.0 111.347 -179.456 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.567 ' SG ' ' HB2' ' A' ' 20' ' ' CYS . 49.2 t -80.23 106.59 12.37 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.749 -0.659 . . . . 0.0 109.787 179.278 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 63.3 mt -99.31 -57.64 4.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-O 121.076 0.465 . . . . 0.0 110.307 -179.699 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.517 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 18.7 t-20 -95.9 146.81 24.28 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.501 179.243 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.405 ' O ' HG23 ' A' ' 21' ' ' VAL . 39.2 mtmm -69.9 -33.62 72.45 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 111.939 0.348 . . . . 0.0 111.939 -179.556 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.71 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 12.5 tmtt? -51.03 -56.09 22.68 Favored Pre-proline 0 CA--C 1.539 0.547 0 CA-C-O 119.592 -0.242 . . . . 0.0 111.378 -179.342 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.71 ' HD3' ' HB3' ' A' ' 18' ' ' LYS . 83.5 Cg_exo -52.29 -43.83 50.87 Favored 'Trans proline' 0 C--N 1.357 0.986 0 C-N-CA 122.562 2.175 . . . . 0.0 112.263 179.251 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.567 ' HB2' ' SG ' ' A' ' 14' ' ' CYS . 39.4 t -65.67 -55.67 16.25 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.399 -179.256 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.603 ' O ' ' HG2' ' A' ' 25' ' ' LYS . 99.8 t -53.93 -45.59 63.76 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.221 0 CA-C-O 120.604 0.24 . . . . 0.0 110.38 179.691 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.68 -43.14 89.83 Favored 'General case' 0 C--O 1.238 0.491 0 CA-C-O 120.981 0.419 . . . . 0.0 110.749 179.229 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.639 ' HA ' ' HZ2' ' A' ' 26' ' ' LYS . 6.3 t -61.18 -46.93 88.46 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 178.88 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 72.7 m -61.61 -40.23 94.07 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 114.949 -1.023 . . . . 0.0 111.641 179.709 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.603 ' HG2' ' O ' ' A' ' 21' ' ' VAL . 12.6 mmmm -61.7 -42.56 99.11 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.855 -0.338 . . . . 0.0 110.646 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.639 ' HZ2' ' HA ' ' A' ' 23' ' ' CYS . 6.1 ptpp? -68.12 -30.76 69.99 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 120.484 -0.487 . . . . 0.0 109.892 179.372 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -80.74 4.5 18.73 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.918 179.508 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.417 ' HB2' ' HE3' ' A' ' 28' ' ' LYS . 32.4 ttmt 68.65 47.44 0.87 Allowed 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.545 179.527 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.68 ' HA ' ' HD3' ' A' ' 45' ' ' LYS . 31.0 m-85 -122.05 147.24 46.33 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 178.11 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.565 ' H ' ' HB3' ' A' ' 45' ' ' LYS . 2.7 m -76.85 -42.33 40.53 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 112.546 0.573 . . . . 0.0 112.546 -178.261 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -120.71 155.64 33.47 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.539 0.57 . . . . 0.0 112.539 -177.686 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -146.17 127.27 2.72 Favored Glycine 0 N--CA 1.444 -0.824 0 N-CA-C 110.325 -1.11 . . . . 0.0 110.325 178.545 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 43.9 p-80 -149.06 142.04 24.8 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.226 0.536 . . . . 0.0 111.925 -178.306 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 13.7 m -66.5 146.91 54.0 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.326 179.347 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.743 ' HB3' HD13 ' A' ' 42' ' ' LEU . 11.0 p -92.84 -159.0 0.64 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.076 0.465 . . . . 0.0 111.523 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.433 ' H ' ' HB2' ' A' ' 35' ' ' SER . 84.9 tttt -116.99 -35.16 4.18 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.652 -179.585 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.461 ' HB ' ' H ' ' A' ' 38' ' ' LEU . 12.4 mt -67.43 -102.3 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 CA-C-O 120.88 0.371 . . . . 0.0 111.783 -178.471 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.461 ' H ' ' HB ' ' A' ' 37' ' ' ILE . 26.0 tp -77.56 6.64 6.78 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.519 0.676 . . . . 0.0 110.719 -179.579 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.409 ' HG2' HG13 ' A' ' 13' ' ' VAL . 21.4 tpt180 60.79 30.09 19.44 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 114.923 -1.035 . . . . 0.0 110.824 179.723 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.4 ' NE ' HD23 ' A' ' 38' ' ' LEU . 84.6 mtt-85 -69.98 154.66 41.66 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.185 178.498 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.445 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 20.3 t -77.82 110.91 13.1 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.316 179.448 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.743 HD13 ' HB3' ' A' ' 35' ' ' SER . 9.4 mp -90.17 123.91 34.39 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.283 179.519 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.418 ' SG ' ' HB2' ' A' ' 7' ' ' CYS . 85.4 m -104.95 134.31 48.28 Favored 'General case' 0 C--N 1.313 -0.991 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 179.53 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.42 148.37 51.32 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-O 121.207 0.527 . . . . 0.0 110.86 -179.445 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.68 ' HD3' ' HA ' ' A' ' 29' ' ' PHE . 61.7 pttt -163.0 174.12 12.73 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.723 179.503 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.429 ' HG2' ' H ' ' A' ' 46' ' ' GLU . 13.8 pt-20 -79.21 151.47 31.2 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.642 179.445 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 28.7 p . . . . . 0 C--O 1.253 1.287 0 CA-C-O 117.551 -1.214 . . . . 0.0 109.079 -179.996 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 12.2 m . . . . . 0 N--CA 1.451 -0.401 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.424 ' O ' ' HA ' ' A' ' 44' ' ' THR . 59.2 m -91.86 136.95 32.76 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.024 -179.3 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.921 ' HD2' HD23 ' A' ' 42' ' ' LEU . 11.7 ttpp -131.49 121.45 24.53 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.834 -179.686 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -152.29 143.46 23.2 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.334 179.241 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.541 ' HG2' HD12 ' A' ' 42' ' ' LEU . 42.1 mt-10 -65.83 140.07 58.36 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 -179.489 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 15.1 t -53.93 126.14 50.05 Favored Pre-proline 0 C--N 1.325 -0.459 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.03 -179.171 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_exo -51.28 -39.8 62.08 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 123.141 2.561 . . . . 0.0 112.683 -178.808 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 40.2 p -92.83 50.64 1.59 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.132 179.166 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 9.0 t-105 -157.03 137.78 13.28 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.32 -179.15 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -150.54 -29.51 0.21 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.651 -179.647 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 17.4 m -72.8 175.66 6.3 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.238 -0.892 . . . . 0.0 113.079 -177.818 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.783 HG13 ' HB3' ' A' ' 39' ' ' ARG . 90.8 t -78.49 130.22 36.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 114.906 -1.043 . . . . 0.0 111.016 -179.719 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.49 ' HB3' ' HG3' ' A' ' 39' ' ' ARG . 0.1 OUTLIER -71.55 127.99 34.38 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.055 179.547 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 51.6 mt -99.35 -26.07 3.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.395 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.563 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 19.9 t-20 -153.72 153.69 32.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.613 -179.499 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.562 ' O ' HG23 ' A' ' 21' ' ' VAL . 22.0 tptp -62.16 -40.22 95.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.883 -179.594 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.706 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 40.0 ttpt -51.96 -56.83 18.08 Favored Pre-proline 0 N--CA 1.47 0.552 0 N-CA-C 112.615 0.598 . . . . 0.0 112.615 -178.79 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.706 ' HD3' ' HB3' ' A' ' 18' ' ' LYS . 85.4 Cg_exo -50.53 -42.67 48.4 Favored 'Trans proline' 0 C--N 1.358 1.041 0 C-N-CA 122.383 2.055 . . . . 0.0 112.109 179.493 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 49.9 t -63.4 -50.69 68.84 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.381 179.593 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.562 HG23 ' O ' ' A' ' 17' ' ' LYS . 60.9 t -56.83 -40.24 69.85 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.207 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.716 179.238 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.14 -46.66 89.64 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-O 120.847 0.356 . . . . 0.0 110.897 179.589 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.584 ' HA ' ' HE3' ' A' ' 26' ' ' LYS . 5.3 t -62.08 -46.78 87.57 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-O 121.601 0.715 . . . . 0.0 109.745 179.345 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.616 ' SG ' ' HA3' ' A' ' 32' ' ' GLY . 82.8 m -65.08 -39.09 92.7 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 114.905 -1.043 . . . . 0.0 111.663 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.403 ' HD3' ' HA ' ' A' ' 25' ' ' LYS . 10.3 tppt? -63.29 -47.77 80.91 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.634 -0.257 . . . . 0.0 111.22 -178.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.584 ' HE3' ' HA ' ' A' ' 23' ' ' CYS . 19.9 pttp -66.62 -28.63 68.64 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.85 -0.34 . . . . 0.0 110.496 179.524 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -84.76 6.77 23.08 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-O 120.978 0.418 . . . . 0.0 111.173 179.168 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.458 ' O ' ' HD3' ' A' ' 45' ' ' LYS . 8.2 tmtt? 65.22 68.17 0.5 Allowed 'General case' 0 C--N 1.333 -0.115 0 C-N-CA 123.635 0.774 . . . . 0.0 111.215 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.549 ' HA ' ' HB3' ' A' ' 45' ' ' LYS . 55.0 m-85 -132.28 147.09 52.39 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 178.012 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.532 ' OG ' ' HA ' ' A' ' 45' ' ' LYS . 6.0 m -59.18 -48.66 80.79 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.741 0.305 . . . . 0.0 110.681 -179.13 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 47.2 t0 -162.91 153.12 16.22 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.02 178.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.616 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -113.56 142.81 17.65 Favored Glycine 0 N--CA 1.444 -0.783 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 179.277 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 28.1 p80 -137.49 132.9 33.97 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-O 121.468 0.652 . . . . 0.0 110.654 -179.378 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 9.2 m -72.88 134.03 44.65 Favored 'General case' 0 C--N 1.311 -1.095 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.257 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.501 ' O ' ' HD2' ' A' ' 39' ' ' ARG . 18.7 p -73.97 -179.72 3.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.09 0.471 . . . . 0.0 111.903 -178.8 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 61.5 tttp -93.55 -31.44 14.53 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.749 -179.466 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 13.7 mt -69.96 -101.76 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 CA-C-O 120.898 0.38 . . . . 0.0 111.885 -178.386 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.803 HD23 ' HE ' ' A' ' 40' ' ' ARG . 24.5 tp -75.6 4.11 8.26 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 121.143 0.497 . . . . 0.0 111.228 -179.248 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.783 ' HB3' HG13 ' A' ' 13' ' ' VAL . 23.1 tpt180 62.09 32.22 17.58 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.249 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.803 ' HE ' HD23 ' A' ' 38' ' ' LEU . 97.6 mtt180 -68.81 156.18 38.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.904 179.38 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.486 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 44.3 t -83.0 96.8 8.44 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.385 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.921 HD23 ' HD2' ' A' ' 4' ' ' LYS . 11.1 mp -86.97 116.8 25.27 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 178.868 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.527 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 61.4 m -94.13 136.29 34.58 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-O 120.873 0.368 . . . . 0.0 111.175 -179.527 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.424 ' HA ' ' O ' ' A' ' 3' ' ' CYS . 0.3 OUTLIER -118.89 142.19 47.97 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.051 179.075 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.549 ' HB3' ' HA ' ' A' ' 29' ' ' PHE . 53.6 pttt -159.85 175.75 12.72 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.248 0.547 . . . . 0.0 111.701 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -79.56 145.48 33.12 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 114.67 -1.15 . . . . 0.0 111.065 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 25.4 p . . . . . 0 C--O 1.242 0.675 0 N-CA-C 109.13 -0.692 . . . . 0.0 109.13 179.273 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 17.6 m . . . . . 0 N--CA 1.455 -0.218 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 57.7 m -112.17 137.82 49.72 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.92 0.391 . . . . 0.0 111.237 -179.106 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.668 ' HG2' HG23 ' A' ' 44' ' ' THR . 54.9 mtmt -124.5 135.05 52.89 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.169 179.717 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -161.74 139.02 8.64 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.825 179.654 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.505 ' OE1' ' HD2' ' A' ' 40' ' ' ARG . 7.4 mt-10 -64.31 141.98 58.58 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.609 ' HB3' ' HB2' ' A' ' 10' ' ' TRP . 45.8 t -56.88 126.36 72.04 Favored Pre-proline 0 C--N 1.322 -0.589 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.268 -179.396 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 7' ' ' CYS . 51.8 Cg_exo -54.04 -39.13 86.68 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 123.115 2.544 . . . . 0.0 112.585 -179.145 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 23.7 p -97.78 45.36 1.03 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.059 179.682 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' TRP . . . . . 0.609 ' HB2' ' HB3' ' A' ' 7' ' ' CYS . 45.2 t-105 -132.53 122.66 25.17 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.273 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -148.01 58.97 1.11 Allowed 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 179.482 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 64.6 m -160.79 169.51 22.58 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.218 -178.71 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 99.7 t -78.56 126.49 38.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 179.293 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.563 ' SG ' ' HB2' ' A' ' 20' ' ' CYS . 4.1 t -73.15 117.18 14.58 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.048 -179.449 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 63.7 mt -98.48 -53.21 8.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-O 120.952 0.406 . . . . 0.0 110.479 -179.477 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.57 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 18.1 t-20 -117.3 152.52 34.71 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.892 -0.594 . . . . 0.0 109.96 179.771 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.472 ' HZ1' ' CG ' ' A' ' 31' ' ' ASP . 63.2 tttp -64.79 -36.91 85.83 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.862 -179.546 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.691 ' HB2' ' HD3' ' A' ' 19' ' ' PRO . 57.7 mtpt -50.78 -57.08 14.67 Favored Pre-proline 0 N--CA 1.47 0.553 0 N-CA-C 112.45 0.537 . . . . 0.0 112.45 -179.134 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.691 ' HD3' ' HB2' ' A' ' 18' ' ' LYS . 85.4 Cg_exo -51.71 -43.29 52.05 Favored 'Trans proline' 0 C--N 1.358 1.04 0 C-N-CA 122.336 2.024 . . . . 0.0 112.147 179.453 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.563 ' HB2' ' SG ' ' A' ' 14' ' ' CYS . 42.8 t -64.7 -51.15 63.98 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.619 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.492 ' CG1' ' HE2' ' A' ' 25' ' ' LYS . 95.1 t -56.8 -42.15 77.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.952 179.566 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.568 ' O ' ' HG2' ' A' ' 26' ' ' LYS . . . -61.05 -46.64 89.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.246 179.203 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.474 ' O ' ' HG3' ' A' ' 26' ' ' LYS . 5.4 t -60.62 -42.26 96.49 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.603 0.716 . . . . 0.0 109.86 179.06 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.638 ' SG ' ' HA3' ' A' ' 32' ' ' GLY . 81.7 m -65.5 -46.5 79.45 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 115.275 -0.875 . . . . 0.0 112.151 -179.595 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.492 ' HE2' ' CG1' ' A' ' 21' ' ' VAL . 67.6 mttm -62.55 -40.74 97.79 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 111.887 0.329 . . . . 0.0 111.887 -179.192 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.568 ' HG2' ' O ' ' A' ' 22' ' ' ALA . 14.9 ptmt -67.62 -32.9 73.92 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.342 -0.543 . . . . 0.0 109.581 178.128 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -80.81 5.87 14.68 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.974 178.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.43 ' HD3' ' HA ' ' A' ' 28' ' ' LYS . 4.8 tppt? 71.4 56.83 0.19 Allowed 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.374 -0.83 . . . . 0.0 112.281 179.105 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.589 ' HA ' ' HD3' ' A' ' 45' ' ' LYS . 47.6 m-85 -130.53 148.01 52.28 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 178.136 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.537 ' H ' ' HB3' ' A' ' 45' ' ' LYS . 6.8 m -63.46 -48.22 78.62 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -178.572 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.472 ' CG ' ' HZ1' ' A' ' 17' ' ' LYS . 5.0 t70 -161.4 147.92 14.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.705 -0.225 . . . . 0.0 111.041 -179.09 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.638 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -114.76 153.29 17.72 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.921 -0.657 . . . . 0.0 112.85 -179.817 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 39.4 p-80 -139.5 135.09 33.13 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.889 0.376 . . . . 0.0 110.817 -179.763 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.463 ' HB3' ' HB3' ' A' ' 14' ' ' CYS . 22.4 m -72.8 126.79 30.76 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 178.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.658 ' O ' ' HA ' ' A' ' 39' ' ' ARG . 15.6 p -70.93 158.56 36.25 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 179.597 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 40.1 ttpt -88.77 -35.48 16.64 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 -178.591 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 62.1 mt -67.16 -75.71 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 112.799 0.666 . . . . 0.0 112.799 -178.002 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.715 ' HB3' ' HG2' ' A' ' 40' ' ' ARG . 22.1 tp -87.31 -9.25 55.43 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.134 0.492 . . . . 0.0 110.974 -178.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.658 ' HA ' ' O ' ' A' ' 35' ' ' SER . 22.0 tpt180 63.72 32.02 13.96 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.251 -0.886 . . . . 0.0 111.369 179.673 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.715 ' HG2' ' HB3' ' A' ' 38' ' ' LEU . 9.7 ptt180 -91.33 155.18 18.7 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.712 178.014 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.421 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 31.3 t -75.51 106.94 7.32 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.227 0.454 . . . . 0.0 112.227 -178.891 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.4 HD13 ' HB3' ' A' ' 35' ' ' SER . 9.5 mp -97.38 121.98 39.9 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 177.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.491 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 75.2 m -93.55 142.61 27.15 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-O 120.999 0.428 . . . . 0.0 111.34 -179.22 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.668 HG23 ' HG2' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -125.11 141.67 51.97 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.713 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.589 ' HD3' ' HA ' ' A' ' 29' ' ' PHE . 61.2 pttt -162.37 169.96 19.65 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.934 178.623 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.438 ' H ' ' HG2' ' A' ' 46' ' ' GLU . 12.8 pt-20 -78.54 151.08 32.68 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.033 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 28.6 p . . . . . 0 C--O 1.253 1.288 0 CA-C-O 117.563 -1.208 . . . . 0.0 109.007 -179.921 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 36.2 m . . . . . 0 N--CA 1.451 -0.385 0 CA-C-O 121.077 0.465 . . . . 0.0 109.88 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 61.7 m -95.32 137.78 33.91 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.479 -179.465 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.523 ' HD2' HD23 ' A' ' 42' ' ' LEU . 37.1 ttpt -134.97 130.86 36.45 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.679 -179.378 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -168.46 146.19 4.08 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.294 179.677 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.528 ' HG2' ' HB3' ' A' ' 40' ' ' ARG . 3.4 mp0 -63.85 143.39 57.89 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.907 0.384 . . . . 0.0 110.64 -179.459 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.437 ' HB2' ' SG ' ' A' ' 43' ' ' CYS . 47.7 t -56.9 126.69 73.16 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.379 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 7' ' ' CYS . 44.2 Cg_exo -57.8 -42.21 61.64 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.93 2.42 . . . . 0.0 112.467 -179.3 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 56.7 p -88.58 45.43 1.29 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.087 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' TRP . . . . . 0.48 ' HH2' ' HB2' ' A' ' 19' ' ' PRO . 58.1 t-105 -133.56 127.5 33.26 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.763 0.316 . . . . 0.0 110.785 -179.624 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -150.5 68.57 0.97 Allowed 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 179.328 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.7 t -170.27 171.57 6.67 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.062 -178.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 59.6 t -79.2 118.59 26.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.389 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.557 ' SG ' ' HB2' ' A' ' 20' ' ' CYS . 19.2 t -77.46 105.67 8.74 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 179.671 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 64.1 mt -98.88 -47.14 12.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 120.902 0.382 . . . . 0.0 110.597 -179.263 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.627 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 42.7 t30 -114.13 148.24 37.52 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.99 179.576 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.528 ' O ' HG23 ' A' ' 21' ' ' VAL . 7.4 mtpt -65.77 -35.58 81.11 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.79 0.663 . . . . 0.0 112.79 -178.737 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.675 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 10.3 tmtt? -47.13 -56.83 10.86 Favored Pre-proline 0 N--CA 1.473 0.706 0 N-CA-C 112.182 0.438 . . . . 0.0 112.182 -178.245 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.675 ' HD3' ' HB3' ' A' ' 18' ' ' LYS . 53.2 Cg_exo -56.2 -42.73 63.27 Favored 'Trans proline' 0 C--N 1.354 0.849 0 C-N-CA 122.142 1.894 . . . . 0.0 111.801 179.45 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.557 ' HB2' ' SG ' ' A' ' 14' ' ' CYS . 34.3 t -63.21 -49.68 73.24 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.703 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.528 HG23 ' O ' ' A' ' 17' ' ' LYS . 92.3 t -55.81 -42.85 72.03 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.96 179.513 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.15 -43.48 98.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.115 0.483 . . . . 0.0 110.366 179.3 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 1.012 ' HA ' ' HE3' ' A' ' 26' ' ' LYS . 4.8 t -65.63 -47.44 75.58 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.836 179.194 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.482 ' SG ' ' HA3' ' A' ' 32' ' ' GLY . 96.8 m -59.83 -47.61 85.02 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.313 -0.858 . . . . 0.0 112.193 -179.576 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -65.39 -33.6 76.34 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.966 -0.294 . . . . 0.0 111.664 -179.469 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 1.012 ' HE3' ' HA ' ' A' ' 23' ' ' CYS . 6.8 ptpt -66.52 -33.33 75.45 Favored 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 178.228 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -87.17 13.96 8.56 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.092 179.668 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 36.7 ttmt 66.88 57.57 0.63 Allowed 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 115.64 -0.709 . . . . 0.0 112.121 179.096 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.47 ' CD2' ' HG2' ' A' ' 45' ' ' LYS . 64.5 m-85 -128.74 146.07 51.0 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 108.928 -0.768 . . . . 0.0 108.928 178.142 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.498 ' OG ' ' HA ' ' A' ' 45' ' ' LYS . 0.4 OUTLIER -66.9 -45.41 78.1 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 112.24 0.459 . . . . 0.0 112.24 -178.32 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -154.43 157.14 38.02 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.99 0.424 . . . . 0.0 110.827 -179.169 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.482 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -123.43 161.73 17.63 Favored Glycine 0 N--CA 1.446 -0.634 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.821 179.652 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 33.5 p-80 -156.23 133.81 10.93 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.033 0.444 . . . . 0.0 111.183 -179.455 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 14.6 m -70.06 135.82 49.67 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.816 179.253 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.648 ' HB3' HD13 ' A' ' 42' ' ' LEU . 11.7 p -81.45 -155.06 0.12 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.918 0.389 . . . . 0.0 111.198 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.418 ' H ' ' HB2' ' A' ' 35' ' ' SER . 86.5 tttt -123.33 -39.89 2.42 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.265 -0.425 . . . . 0.0 112.104 -179.251 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 30.4 mt -60.54 -89.63 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.367 0 CA-C-O 120.903 0.382 . . . . 0.0 111.824 -178.458 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.701 HD23 ' HE ' ' A' ' 40' ' ' ARG . 26.3 tp -87.56 5.8 37.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.638 0.732 . . . . 0.0 110.094 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 59.13 33.7 22.95 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 114.559 -1.201 . . . . 0.0 110.533 -179.523 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.701 ' HE ' HD23 ' A' ' 38' ' ' LEU . 99.6 mtt180 -68.21 152.27 45.71 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.721 179.114 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.451 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 7.5 t -82.26 95.36 7.55 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.191 -0.459 . . . . 0.0 109.86 178.609 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.648 HD13 ' HB3' ' A' ' 35' ' ' SER . 9.8 mp -81.19 124.54 29.36 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.474 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.473 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 65.7 m -102.69 143.41 32.39 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.821 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -130.54 141.88 50.47 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.014 -179.687 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.498 ' HA ' ' OG ' ' A' ' 30' ' ' SER . 2.6 pttm -160.8 162.33 32.28 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.986 179.152 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.3 pm0 -77.66 145.77 36.48 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.154 179.595 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 22.8 p . . . . . 0 C--O 1.242 0.692 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 -179.727 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 11.7 m . . . . . 0 N--CA 1.455 -0.224 0 N-CA-C 110.013 -0.365 . . . . 0.0 110.013 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 78.0 m -110.26 141.3 43.41 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.68 -179.559 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.732 ' HB3' HG23 ' A' ' 44' ' ' THR . 24.2 pttm -150.44 142.26 23.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.024 0.44 . . . . 0.0 111.316 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -166.27 148.45 6.87 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.853 -1.067 . . . . 0.0 108.785 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.552 ' HG2' ' HB3' ' A' ' 40' ' ' ARG . 3.4 mp0 -60.63 139.57 57.77 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.701 0.286 . . . . 0.0 110.534 -179.331 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 22.3 t -55.88 124.43 58.03 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.355 179.739 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_exo -52.6 -39.82 74.52 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.967 2.445 . . . . 0.0 112.563 -178.716 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 26.7 p -92.71 47.3 1.28 Allowed 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.789 179.446 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' TRP . . . . . 0.462 ' HH2' ' HB2' ' A' ' 19' ' ' PRO . 37.2 t-105 -145.68 125.07 13.06 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.874 0.369 . . . . 0.0 111.176 -179.318 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -150.71 62.5 0.93 Allowed 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 178.616 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 51.0 m -153.95 170.78 20.23 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.208 -0.906 . . . . 0.0 110.257 -178.526 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 61.9 t -77.48 118.85 25.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.13 0.49 . . . . 0.0 110.697 -179.585 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.412 ' SG ' ' HB2' ' A' ' 20' ' ' CYS . 22.1 t -76.03 99.16 4.51 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.888 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 66.9 mt -97.98 -53.24 8.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 121.021 0.438 . . . . 0.0 109.831 -179.685 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.532 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 16.9 t-20 -100.4 140.69 34.29 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 178.733 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.562 ' O ' HG23 ' A' ' 21' ' ' VAL . 51.2 tttm -67.84 -35.57 78.81 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 -178.328 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.681 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 39.9 ttpt -50.63 -55.87 23.28 Favored Pre-proline 0 N--CA 1.47 0.555 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 -178.701 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.681 ' HD3' ' HB3' ' A' ' 18' ' ' LYS . 75.4 Cg_exo -52.81 -43.72 53.85 Favored 'Trans proline' 0 C--N 1.357 0.98 0 C-N-CA 122.335 2.023 . . . . 0.0 112.072 179.663 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.412 ' HB2' ' SG ' ' A' ' 14' ' ' CYS . 42.1 t -62.68 -51.59 66.61 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.438 179.766 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.579 HG12 ' HE2' ' A' ' 25' ' ' LYS . 54.9 t -57.65 -38.18 63.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.692 179.308 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.29 -47.48 85.77 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.556 179.292 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.521 ' HA ' ' HE3' ' A' ' 26' ' ' LYS . 6.4 t -61.19 -45.87 92.8 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.33 0.586 . . . . 0.0 109.758 179.245 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.614 ' SG ' ' HA3' ' A' ' 32' ' ' GLY . 76.8 m -62.9 -47.45 83.24 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.104 -0.953 . . . . 0.0 112.428 -179.42 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.579 ' HE2' HG12 ' A' ' 21' ' ' VAL . 55.4 mtmt -59.87 -45.5 92.28 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 111.544 0.201 . . . . 0.0 111.544 -179.495 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.521 ' HE3' ' HA ' ' A' ' 23' ' ' CYS . 19.3 pttp -68.61 -25.34 64.81 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 120.518 -0.473 . . . . 0.0 110.558 179.733 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -88.41 9.85 22.08 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 121.087 0.47 . . . . 0.0 110.686 178.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 19.9 tptm 67.14 58.87 0.55 Allowed 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 115.33 -0.85 . . . . 0.0 112.266 179.367 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.544 ' HA ' ' HD3' ' A' ' 45' ' ' LYS . 56.2 m-85 -131.28 147.22 52.56 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 177.622 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.565 ' H ' ' HB3' ' A' ' 45' ' ' LYS . 10.4 m -63.25 -46.59 86.17 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.309 0.485 . . . . 0.0 112.309 -178.473 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -163.95 143.95 8.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.698 0.285 . . . . 0.0 111.271 -179.354 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.614 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -108.19 150.96 17.03 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 121.197 -0.525 . . . . 0.0 112.408 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 34.3 p-80 -142.9 140.47 31.21 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.04 0.448 . . . . 0.0 111.269 -179.388 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 22.4 m -68.73 139.18 55.34 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.939 179.278 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.751 ' HB3' HD13 ' A' ' 42' ' ' LEU . 21.1 p -90.3 169.96 10.67 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.87 0.367 . . . . 0.0 110.945 179.845 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 23.7 ttpp -88.99 -26.73 21.32 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.809 -179.404 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 16.8 mt -71.03 -106.17 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.914 -178.198 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.636 HD23 ' HE ' ' A' ' 40' ' ' ARG . 22.9 tp -77.66 12.21 1.76 Allowed 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 121.32 0.581 . . . . 0.0 111.166 -179.167 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.515 ' HD2' ' O ' ' A' ' 35' ' ' SER . 18.3 tpt180 58.87 30.66 20.42 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.652 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.636 ' HE ' HD23 ' A' ' 38' ' ' LEU . 99.4 mtt180 -69.7 151.8 45.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.547 179.026 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.544 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 10.1 t -82.3 98.45 8.8 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.292 178.843 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.751 HD13 ' HB3' ' A' ' 35' ' ' SER . 9.1 mp -84.98 117.33 23.9 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.714 179.652 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.599 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 73.3 m -91.21 129.65 37.18 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.503 179.785 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.732 HG23 ' HB3' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -115.31 146.43 41.52 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.166 -179.749 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.565 ' HB3' ' H ' ' A' ' 30' ' ' SER . 55.7 pttt -162.12 171.14 17.94 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.01 178.698 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.442 ' H ' ' HG2' ' A' ' 46' ' ' GLU . 14.4 pt-20 -78.43 151.17 32.86 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.163 -0.926 . . . . 0.0 110.915 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 29.3 p . . . . . 0 C--O 1.244 0.776 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.027 -179.963 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 31.2 m . . . . . 0 N--CA 1.451 -0.375 0 CA-C-O 121.302 0.573 . . . . 0.0 110.326 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 61.3 m -91.1 138.18 31.8 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.248 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.51 ' HA ' ' O ' ' A' ' 43' ' ' CYS . 5.5 ttpm? -137.2 128.23 27.61 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.664 -179.215 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -162.72 142.9 9.49 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.36 -0.836 . . . . 0.0 108.966 179.776 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.502 ' OE2' ' HD3' ' A' ' 40' ' ' ARG . 50.4 mt-10 -66.34 143.61 57.07 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.845 0.355 . . . . 0.0 110.692 -179.205 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.426 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 34.3 t -58.77 126.79 81.47 Favored Pre-proline 0 C--N 1.321 -0.636 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.018 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 7' ' ' CYS . 36.6 Cg_exo -58.12 -40.6 75.47 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.82 2.347 . . . . 0.0 112.373 -179.258 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.1 p -87.28 50.08 1.94 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.204 179.678 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' TRP . . . . . 0.514 ' HH2' ' HB2' ' A' ' 19' ' ' PRO . 58.1 t-105 -140.02 116.8 10.92 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.505 -179.75 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 13.7 p-10 -143.58 29.27 1.41 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.592 0.711 . . . . 0.0 109.941 -179.637 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.2 m -131.02 164.28 25.73 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.125 -179.69 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 60.8 t -78.58 124.99 37.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.936 179.649 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.736 ' HB3' ' HB3' ' A' ' 39' ' ' ARG . 12.0 t -73.34 124.6 26.05 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.467 -179.559 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 43.4 mm -102.01 -24.46 4.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.05 179.561 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.724 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 19.5 t-20 -151.16 155.29 38.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.775 -179.635 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.5 ' O ' HG23 ' A' ' 21' ' ' VAL . 57.2 tttm -63.71 -30.87 71.92 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.646 -0.252 . . . . 0.0 111.433 -179.494 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.829 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 23.8 tptm -48.36 -59.43 6.04 Favored Pre-proline 0 CA--C 1.543 0.695 0 N-CA-C 112.133 0.42 . . . . 0.0 112.133 -179.234 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.829 ' HD3' ' HB3' ' A' ' 18' ' ' LYS . 92.3 Cg_exo -50.99 -42.91 50.62 Favored 'Trans proline' 0 C--N 1.358 1.072 0 C-N-CA 122.756 2.304 . . . . 0.0 112.612 179.47 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.504 ' HB2' ' SG ' ' A' ' 34' ' ' CYS . 38.9 t -62.7 -50.17 72.2 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.091 -179.566 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.608 HG12 ' HE2' ' A' ' 25' ' ' LYS . 49.9 t -57.86 -38.98 69.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.812 0.339 . . . . 0.0 110.615 179.69 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.18 -47.45 84.43 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.456 179.227 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.451 ' O ' ' HG3' ' A' ' 26' ' ' LYS . 6.7 t -62.51 -47.71 82.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.097 179.357 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.721 ' SG ' ' HA3' ' A' ' 32' ' ' GLY . 88.8 m -59.47 -44.15 93.08 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.624 -0.716 . . . . 0.0 112.058 -179.62 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.608 ' HE2' HG12 ' A' ' 21' ' ' VAL . 55.2 mtmt -64.96 -41.51 95.4 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.782 -0.367 . . . . 0.0 111.199 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.451 ' HG3' ' O ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -70.59 -17.09 62.9 Favored 'General case' 0 C--O 1.232 0.172 0 C-N-CA 120.294 -0.562 . . . . 0.0 110.059 178.718 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -94.61 4.39 53.9 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.998 179.201 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.407 ' HE3' ' HB2' ' A' ' 28' ' ' LYS . 34.8 ttmt 70.51 57.4 0.25 Allowed 'General case' 0 C--O 1.236 0.361 0 CA-C-N 115.208 -0.906 . . . . 0.0 111.725 179.559 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.682 ' HA ' ' HD3' ' A' ' 45' ' ' LYS . 41.9 m-85 -131.48 148.65 52.66 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 178.525 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.625 ' H ' ' HB3' ' A' ' 45' ' ' LYS . 11.4 m -62.31 -48.27 80.6 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.054 0.39 . . . . 0.0 112.054 -178.795 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -159.37 151.7 21.18 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.746 0.308 . . . . 0.0 110.651 -179.688 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.721 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -119.04 146.62 18.36 Favored Glycine 0 N--CA 1.444 -0.807 0 C-N-CA 120.875 -0.678 . . . . 0.0 112.864 -179.702 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 29.2 p80 -134.55 129.24 34.75 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.464 0.649 . . . . 0.0 110.576 179.682 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.504 ' SG ' ' HB2' ' A' ' 20' ' ' CYS . 61.6 m -75.21 141.98 43.51 Favored 'General case' 0 C--N 1.311 -1.094 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.527 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 14.0 p -77.9 -162.59 0.34 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.733 0.302 . . . . 0.0 110.231 179.584 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -108.34 -43.76 4.27 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -179.33 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 38.2 mt -61.11 -88.64 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.358 0 N-CA-C 112.615 0.598 . . . . 0.0 112.615 -177.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.465 ' HB3' ' HG3' ' A' ' 40' ' ' ARG . 26.4 tp -87.2 7.16 29.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.17 0.51 . . . . 0.0 111.243 -178.72 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.736 ' HB3' ' HB3' ' A' ' 14' ' ' CYS . 35.6 mmt180 59.86 31.45 20.76 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.488 -179.189 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.502 ' HD3' ' OE2' ' A' ' 6' ' ' GLU . 66.9 mtt-85 -61.67 135.91 57.8 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.635 -0.712 . . . . 0.0 109.919 179.145 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.471 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 44.3 t -78.79 92.75 4.87 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.094 -0.503 . . . . 0.0 112.051 -178.38 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.3 mp -81.32 118.14 22.39 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 178.397 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.51 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 84.8 m -92.91 142.13 27.66 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 120.719 0.295 . . . . 0.0 110.719 -179.772 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -129.96 140.75 50.87 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.057 -179.778 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.682 ' HD3' ' HA ' ' A' ' 29' ' ' PHE . 62.1 pttt -161.12 162.86 31.62 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.399 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.457 ' H ' ' HG2' ' A' ' 46' ' ' GLU . 11.7 pt-20 -78.31 146.9 34.5 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.158 179.237 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 21.5 p . . . . . 0 C--O 1.252 1.232 0 CA-C-O 117.463 -1.256 . . . . 0.0 109.375 -179.672 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.5 m . . . . . 0 C--O 1.234 0.249 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.475 ' O ' ' HA ' ' A' ' 44' ' ' THR . 56.7 m -89.81 143.82 26.47 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 120.991 0.424 . . . . 0.0 112.099 -178.446 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 1.019 ' HG2' HG23 ' A' ' 44' ' ' THR . 36.8 mtmm -129.18 136.34 50.03 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.097 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -163.82 131.18 3.38 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 179.313 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.571 ' HA ' ' O ' ' A' ' 41' ' ' CYS . 4.6 mp0 -63.99 141.21 58.85 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.049 0.452 . . . . 0.0 111.219 -178.658 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.709 ' SG ' ' HB2' ' A' ' 10' ' ' TRP . 0.1 OUTLIER -49.14 124.04 13.25 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 114.833 -1.076 . . . . 0.0 109.808 179.136 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -54.09 -42.08 70.07 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 123.051 2.5 . . . . 0.0 112.517 -178.547 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.2 p -90.44 41.02 1.03 Allowed 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.045 179.435 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' TRP . . . . . 0.709 ' HB2' ' SG ' ' A' ' 7' ' ' CYS . 23.5 t-105 -140.48 116.86 10.7 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-O 121.073 0.463 . . . . 0.0 111.283 -179.586 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -151.03 55.59 0.89 Allowed 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 178.355 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.1 m -154.62 178.41 10.13 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.07 -0.968 . . . . 0.0 110.144 -178.878 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.741 HG13 ' HG3' ' A' ' 39' ' ' ARG . 84.4 t -78.1 124.36 36.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.243 -179.529 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.885 ' H ' ' HB2' ' A' ' 39' ' ' ARG . 3.0 t -72.36 123.98 24.18 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.648 -0.705 . . . . 0.0 109.572 179.521 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 52.3 mt -99.13 -25.17 4.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 121.202 0.525 . . . . 0.0 110.729 -179.171 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.578 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 18.9 t-20 -155.1 153.58 31.07 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.874 -179.646 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 63.6 tttp -64.55 -34.64 78.72 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.605 -179.647 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.724 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 88.1 tttt -51.29 -57.94 12.36 Favored Pre-proline 0 CA--C 1.539 0.521 0 CA-C-O 119.246 -0.407 . . . . 0.0 111.965 -179.343 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.724 ' HD3' ' HB3' ' A' ' 18' ' ' LYS . 63.0 Cg_exo -47.12 -46.72 18.56 Favored 'Trans proline' 0 C--N 1.359 1.085 0 C-N-CA 122.779 2.319 . . . . 0.0 112.381 179.14 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 52.9 t -64.33 -52.21 59.54 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.133 -0.94 . . . . 0.0 110.856 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 80.2 t -56.49 -37.53 52.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.31 179.209 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.82 -47.4 85.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.335 178.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.423 ' O ' ' HG3' ' A' ' 26' ' ' LYS . 16.6 t -64.45 -49.59 70.87 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 121.495 0.664 . . . . 0.0 110.244 179.101 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.61 ' SG ' ' HA3' ' A' ' 32' ' ' GLY . 68.1 m -55.81 -43.95 77.38 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.902 -179.522 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.569 ' HE3' ' O ' ' A' ' 30' ' ' SER . 0.1 OUTLIER -63.96 -45.38 89.37 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.022 0.378 . . . . 0.0 112.022 -179.852 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.423 ' HG3' ' O ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -68.47 -16.06 63.76 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.984 179.714 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -102.5 11.23 38.21 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-O 120.898 0.38 . . . . 0.0 110.988 179.409 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 46.5 tttp 65.37 51.66 1.53 Allowed 'General case' 0 CA--C 1.54 0.578 0 CA-C-O 121.674 0.75 . . . . 0.0 112.514 179.288 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.523 ' HB2' ' HB3' ' A' ' 24' ' ' CYS . 50.2 m-85 -117.14 145.18 43.98 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 177.471 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.569 ' O ' ' HE3' ' A' ' 25' ' ' LYS . 8.9 m -60.39 -45.62 92.89 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -178.605 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -166.8 150.62 6.98 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.649 0.261 . . . . 0.0 110.897 -179.708 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.61 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -116.91 147.65 18.9 Favored Glycine 0 N--CA 1.445 -0.73 0 C-N-CA 120.954 -0.641 . . . . 0.0 112.83 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 20.7 p-80 -137.53 129.29 28.64 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.9 0.381 . . . . 0.0 110.211 179.629 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 4.7 m -69.67 135.96 50.51 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.098 -179.355 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.542 ' O ' ' HA ' ' A' ' 39' ' ' ARG . 22.6 t -69.15 174.09 4.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.206 179.496 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.416 ' HE2' ' HB2' ' A' ' 36' ' ' LYS . 15.4 tppt? -89.69 -41.19 12.06 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 -179.146 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 31.7 mt -71.65 -95.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 120.696 0.284 . . . . 0.0 111.233 -178.581 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 32.0 tp -73.34 -4.91 36.28 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 121.496 0.665 . . . . 0.0 110.266 179.767 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.885 ' HB2' ' H ' ' A' ' 14' ' ' CYS . 17.2 mmt85 64.1 33.94 11.59 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 114.822 -1.081 . . . . 0.0 110.459 -179.569 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.523 ' HB3' ' HG2' ' A' ' 6' ' ' GLU . 83.4 mtt-85 -58.42 140.25 54.1 Favored 'General case' 0 C--N 1.334 -0.104 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 179.004 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.571 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 24.6 t -74.48 93.43 2.46 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.372 -179.073 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 8.1 mp -78.94 113.94 17.47 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 178.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.45 ' HB3' ' CG ' ' A' ' 29' ' ' PHE . 73.2 m -96.22 131.08 43.08 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 121.012 0.434 . . . . 0.0 111.149 -179.687 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' THR . . . . . 1.019 HG23 ' HG2' ' A' ' 4' ' ' LYS . 0.1 OUTLIER -106.2 147.34 29.17 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 178.225 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.495 ' HB3' ' CD2' ' A' ' 29' ' ' PHE . 14.1 pttp -160.4 -168.68 2.23 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 113.633 0.975 . . . . 0.0 113.633 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.434 ' H ' ' HG2' ' A' ' 46' ' ' GLU . 10.2 pt-20 -77.44 138.46 39.27 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 113.171 -1.831 . . . . 0.0 112.624 -178.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 18.2 p . . . . . 0 C--O 1.249 1.079 0 CA-C-O 117.261 -1.352 . . . . 0.0 108.64 177.554 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 6.0 m . . . . . 0 N--CA 1.451 -0.41 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.528 ' O ' ' HA ' ' A' ' 44' ' ' THR . 64.1 m -117.51 135.19 54.1 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 112.768 0.655 . . . . 0.0 112.768 -177.024 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.745 ' HD3' ' HG ' ' A' ' 42' ' ' LEU . 0.5 OUTLIER -122.7 131.81 53.97 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.274 -0.875 . . . . 0.0 109.52 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.578 ' N ' ' HD2' ' A' ' 4' ' ' LYS . . . -159.92 127.55 4.67 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 178.763 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.658 ' HG3' HD12 ' A' ' 42' ' ' LEU . 43.9 mp0 -63.94 136.34 57.26 Favored 'General case' 0 N--CA 1.446 -0.658 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 -179.637 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.442 ' HB2' ' SG ' ' A' ' 43' ' ' CYS . 23.4 t -54.07 124.5 45.5 Favored Pre-proline 0 C--N 1.32 -0.696 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.151 -179.098 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -55.79 -41.98 71.86 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.967 2.445 . . . . 0.0 112.146 -179.028 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.2 p -87.32 51.97 2.38 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.745 179.171 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 51.3 t-105 -147.02 126.22 12.98 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.769 -179.538 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -150.35 18.97 0.84 Allowed 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.314 179.625 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.9 t -114.21 -172.98 2.2 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.997 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.461 HG13 ' HG3' ' A' ' 39' ' ' ARG . 92.3 t -91.32 120.93 41.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.311 -179.711 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.569 ' SG ' ' HB2' ' A' ' 20' ' ' CYS . 20.2 t -79.63 118.91 21.9 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 179.036 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 64.8 mt -99.38 -48.93 11.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-O 120.968 0.413 . . . . 0.0 110.679 -179.312 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.654 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 37.4 t30 -125.19 164.88 19.31 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.015 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.43 ' O ' HG23 ' A' ' 21' ' ' VAL . 3.0 mmmp? -60.13 -36.93 78.59 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.014 0.375 . . . . 0.0 112.014 -179.56 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.705 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 22.4 tptm -47.93 -59.51 5.68 Favored Pre-proline 0 N--CA 1.472 0.626 0 N-CA-C 113.25 0.833 . . . . 0.0 113.25 -178.131 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.705 ' HD3' ' HB3' ' A' ' 18' ' ' LYS . 96.3 Cg_exo -50.14 -46.84 26.47 Favored 'Trans proline' 0 C--N 1.355 0.884 0 C-N-CA 122.272 1.981 . . . . 0.0 112.369 179.71 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.569 ' HB2' ' SG ' ' A' ' 14' ' ' CYS . 15.7 t -67.37 -51.37 52.85 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 114.952 -1.022 . . . . 0.0 111.038 -179.415 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.445 ' O ' ' HG2' ' A' ' 25' ' ' LYS . 76.7 t -55.44 -40.82 59.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.565 -0.289 . . . . 0.0 110.732 179.588 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.63 -49.14 78.73 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-O 120.782 0.325 . . . . 0.0 110.408 179.158 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 4.7 t -60.97 -46.86 89.01 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.593 0.711 . . . . 0.0 109.527 178.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.674 ' SG ' ' HA3' ' A' ' 32' ' ' GLY . 81.4 m -62.01 -36.24 80.94 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.021 179.385 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.746 ' HA ' ' HE3' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -60.63 -51.89 67.46 Favored 'General case' 0 CA--C 1.52 -0.179 0 CA-C-O 120.481 0.181 . . . . 0.0 110.751 179.602 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.28 -17.9 64.4 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.196 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -94.65 7.52 45.45 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.208 179.171 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.48 ' O ' ' HD2' ' A' ' 45' ' ' LYS . 12.6 tptp 66.71 37.44 4.28 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-O 121.908 0.861 . . . . 0.0 112.252 179.347 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.61 ' HB2' ' HB3' ' A' ' 24' ' ' CYS . 62.1 m-85 -107.72 145.7 33.1 Favored 'General case' 0 C--N 1.318 -0.765 0 O-C-N 121.237 -0.914 . . . . 0.0 109.744 177.51 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.3 m -58.85 -49.81 76.36 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.806 -178.871 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -159.07 154.06 25.03 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.597 -0.274 . . . . 0.0 110.528 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.674 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -122.17 140.9 13.89 Favored Glycine 0 N--CA 1.442 -0.936 0 CA-C-N 115.926 -0.579 . . . . 0.0 112.237 -179.866 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 26.4 p80 -132.22 135.32 46.22 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.1 0.476 . . . . 0.0 110.86 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.504 ' HB3' ' HB3' ' A' ' 14' ' ' CYS . 3.6 m -65.88 138.28 57.76 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.467 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.747 ' HB3' HD13 ' A' ' 42' ' ' LEU . 14.0 p -87.31 -156.69 0.35 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.076 0.465 . . . . 0.0 110.87 179.528 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.407 ' H ' ' HB2' ' A' ' 35' ' ' SER . 62.8 tttp -125.26 -35.85 2.56 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.626 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 61.0 mt -54.63 -55.06 17.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -178.563 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.446 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 23.5 tp -140.76 23.03 2.29 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.758 0.79 . . . . 0.0 109.701 -179.756 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.461 ' HG3' HG13 ' A' ' 13' ' ' VAL . 26.1 mmm180 53.28 28.79 7.65 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 114.659 -1.155 . . . . 0.0 111.099 -179.123 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 63.1 mtt-85 -67.42 143.44 56.28 Favored 'General case' 0 N--CA 1.449 -0.475 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 179.073 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.497 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 39.6 t -72.86 99.57 2.69 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.579 -178.61 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.747 HD13 ' HB3' ' A' ' 35' ' ' SER . 10.4 mp -82.35 112.65 19.52 Favored 'General case' 0 CA--C 1.515 -0.386 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 178.388 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.606 ' HB3' ' CG ' ' A' ' 29' ' ' PHE . 88.7 m -95.77 135.9 36.88 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.603 -179.452 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.528 ' HA ' ' O ' ' A' ' 3' ' ' CYS . 7.1 p -117.2 138.36 51.74 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 109.754 -0.462 . . . . 0.0 109.754 178.839 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.487 ' HB3' ' HA ' ' A' ' 29' ' ' PHE . 7.5 pttp -160.09 177.48 10.66 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.361 0.601 . . . . 0.0 110.838 -179.359 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.536 ' H ' ' CD ' ' A' ' 46' ' ' GLU . 0.4 OUTLIER -82.51 132.53 35.2 Favored 'General case' 0 C--N 1.312 -1.033 0 CA-C-N 114.384 -1.28 . . . . 0.0 112.488 -179.118 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.257 1.452 0 CA-C-O 117.592 -1.194 . . . . 0.0 109.008 177.319 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 25.8 m . . . . . 0 N--CA 1.454 -0.256 0 CA-C-O 121.37 0.605 . . . . 0.0 110.071 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 94.0 m -97.72 146.11 25.68 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.435 -179.52 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.603 ' HB3' HG23 ' A' ' 44' ' ' THR . 24.3 pttm -150.12 138.79 20.75 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.276 0.56 . . . . 0.0 111.399 179.65 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -161.44 149.99 15.76 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 114.631 -1.168 . . . . 0.0 108.473 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.646 ' OE1' ' HD3' ' A' ' 40' ' ' ARG . 7.5 mt-10 -62.55 143.32 57.36 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.705 0.288 . . . . 0.0 110.582 -179.04 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 34.9 t -56.11 129.35 73.24 Favored Pre-proline 0 C--N 1.325 -0.475 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.073 -179.491 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -52.71 -41.49 69.03 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 123.154 2.569 . . . . 0.0 112.489 -179.036 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 37.7 p -93.66 50.52 1.47 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.584 179.335 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' TRP . . . . . 0.404 ' HH2' ' HB2' ' A' ' 19' ' ' PRO . 6.4 t-105 -155.9 135.02 12.11 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.03 0.443 . . . . 0.0 110.562 -179.502 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -150.96 -28.18 0.2 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.63 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.3 m -72.64 175.31 6.49 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.327 -0.852 . . . . 0.0 112.626 -178.119 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.579 HG13 ' HB3' ' A' ' 39' ' ' ARG . 86.2 t -78.18 126.53 38.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.202 -0.908 . . . . 0.0 111.088 -179.657 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.435 ' HB3' ' O ' ' A' ' 39' ' ' ARG . 0.1 OUTLIER -75.54 137.75 41.06 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.442 179.742 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 61.6 mt -98.67 -38.71 7.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.507 179.447 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.65 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 46.2 t30 -144.63 157.25 44.29 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.394 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.482 ' O ' HG23 ' A' ' 21' ' ' VAL . 58.7 tttm -63.82 -33.56 75.96 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 -178.62 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.734 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 88.4 tttt -51.39 -57.58 13.73 Favored Pre-proline 0 N--CA 1.472 0.637 0 N-CA-C 112.2 0.444 . . . . 0.0 112.2 -178.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.734 ' HD3' ' HB3' ' A' ' 18' ' ' LYS . 72.3 Cg_exo -52.33 -40.51 70.35 Favored 'Trans proline' 0 C--N 1.359 1.093 0 C-N-CA 122.335 2.023 . . . . 0.0 111.984 179.297 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 46.0 t -62.94 -49.45 74.7 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.363 179.557 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 17' ' ' LYS . 89.2 t -57.9 -38.48 66.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.769 179.281 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.74 -46.32 88.61 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.84 0.352 . . . . 0.0 110.441 179.269 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.628 ' HA ' ' HE2' ' A' ' 26' ' ' LYS . 4.6 t -62.07 -44.52 96.51 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.636 0.732 . . . . 0.0 109.772 179.174 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 71.2 m -66.17 -42.3 89.13 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.17 -0.923 . . . . 0.0 112.004 -179.647 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -62.23 -45.76 91.88 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.824 -0.171 . . . . 0.0 111.012 -179.366 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.628 ' HE2' ' HA ' ' A' ' 23' ' ' CYS . 52.9 pttt -66.64 -29.04 68.97 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.87 0.367 . . . . 0.0 110.228 178.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -80.66 7.39 10.27 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.508 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.9 ttpt 72.72 36.08 0.99 Allowed 'General case' 0 CA--C 1.54 0.595 0 CA-C-O 121.369 0.604 . . . . 0.0 111.886 178.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 42.5 m-85 -113.46 146.63 39.26 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 177.783 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -71.77 -43.73 65.23 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 112.67 0.619 . . . . 0.0 112.67 -178.132 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -132.71 163.73 28.34 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.26 0.553 . . . . 0.0 111.589 -178.31 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -145.07 127.36 2.85 Favored Glycine 0 N--CA 1.44 -1.057 0 N-CA-C 109.97 -1.252 . . . . 0.0 109.97 178.129 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 33.1 p-80 -135.47 132.23 37.11 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.162 0.506 . . . . 0.0 110.968 -178.651 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 36.0 m -74.1 129.54 38.05 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.839 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.749 ' HB2' HD13 ' A' ' 42' ' ' LEU . 28.3 t -66.28 166.25 12.47 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.373 -179.376 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -88.82 -24.82 22.48 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.575 179.672 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.413 ' H ' HG13 ' A' ' 37' ' ' ILE . 9.2 mt -69.98 -104.5 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.535 -178.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.426 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 22.3 tp -79.05 13.34 1.82 Allowed 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 121.461 0.648 . . . . 0.0 110.775 -179.658 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.579 ' HB3' HG13 ' A' ' 13' ' ' VAL . 21.9 tpt180 59.44 29.11 18.63 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.012 -0.994 . . . . 0.0 110.688 179.682 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.646 ' HD3' ' OE1' ' A' ' 6' ' ' GLU . 44.3 mtt-85 -71.72 146.77 47.96 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.866 179.557 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.578 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 35.9 t -78.57 108.1 11.72 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -178.929 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.749 HD13 ' HB2' ' A' ' 35' ' ' SER . 9.8 mp -93.55 122.18 35.72 Favored 'General case' 0 CA--C 1.52 -0.178 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 178.28 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.6 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 82.1 m -97.16 129.35 44.54 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.661 -179.24 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.603 HG23 ' HB3' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -110.65 146.27 36.49 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.513 179.227 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.5 169.39 21.91 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.081 0.467 . . . . 0.0 110.806 179.606 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.419 ' H ' ' CD ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -79.64 152.47 29.98 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.68 177.648 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 24.5 p . . . . . 0 C--O 1.252 1.223 0 CA-C-O 117.421 -1.276 . . . . 0.0 109.042 179.847 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.0 m . . . . . 0 N--CA 1.451 -0.405 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.423 ' O ' ' HA ' ' A' ' 44' ' ' THR . 29.5 m -89.98 132.84 35.14 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.016 0.436 . . . . 0.0 111.217 -179.373 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.545 ' HD2' ' N ' ' A' ' 5' ' ' ALA . 0.4 OUTLIER -122.2 131.27 53.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.738 -179.666 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.545 ' N ' ' HD2' ' A' ' 4' ' ' LYS . . . -160.77 134.52 6.88 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 178.919 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.537 ' OE2' ' HG ' ' A' ' 42' ' ' LEU . 10.0 mp0 -65.52 139.78 58.51 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 -179.62 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 36.8 t -52.85 124.67 36.75 Favored Pre-proline 0 C--N 1.323 -0.554 0 O-C-N 123.511 0.507 . . . . 0.0 110.216 -179.306 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -54.77 -42.78 65.41 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.947 2.432 . . . . 0.0 112.35 -178.888 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 23.0 p -91.14 46.32 1.31 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.722 179.368 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 37.4 t-105 -142.59 121.56 12.82 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.13 0.491 . . . . 0.0 111.141 -179.589 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -150.63 57.27 0.93 Allowed 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 178.729 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 46.1 m -151.23 176.7 10.96 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.542 -178.716 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.477 HG13 ' HG2' ' A' ' 39' ' ' ARG . 76.0 t -78.65 117.07 23.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.409 -179.44 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.717 ' SG ' ' HB2' ' A' ' 20' ' ' CYS . 10.9 t -89.36 116.54 27.63 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.817 -0.628 . . . . 0.0 109.465 179.325 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 63.7 mt -113.83 -52.56 5.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 121.053 0.454 . . . . 0.0 110.318 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.547 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 51.2 t30 -91.23 143.69 26.39 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.437 179.666 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.53 ' O ' HG23 ' A' ' 21' ' ' VAL . 25.1 tptp -61.47 -42.47 98.83 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.693 -0.685 . . . . 0.0 112.445 -178.832 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.638 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 88.6 tttt -51.23 -55.5 28.05 Favored Pre-proline 0 CA--C 1.542 0.662 0 N-CA-C 113.625 0.972 . . . . 0.0 113.625 -178.055 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.638 ' HD3' ' HB3' ' A' ' 18' ' ' LYS . 92.4 Cg_exo -49.15 -45.48 29.43 Favored 'Trans proline' 0 C--N 1.357 0.99 0 C-N-CA 122.469 2.112 . . . . 0.0 112.766 -179.696 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.717 ' HB2' ' SG ' ' A' ' 14' ' ' CYS . 21.2 t -65.65 -49.24 69.36 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.718 -0.673 . . . . 0.0 110.648 -179.835 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.53 HG23 ' O ' ' A' ' 17' ' ' LYS . 65.1 t -57.07 -39.05 63.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.692 179.386 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.513 ' O ' ' HG2' ' A' ' 26' ' ' LYS . . . -62.98 -49.56 74.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.538 179.386 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.543 ' O ' ' HG3' ' A' ' 26' ' ' LYS . 4.9 t -60.6 -44.43 96.29 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-O 121.505 0.669 . . . . 0.0 109.896 179.335 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.565 ' SG ' ' HA3' ' A' ' 32' ' ' GLY . 83.3 m -66.6 -37.93 85.92 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.865 -179.84 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.426 ' HD3' ' HA ' ' A' ' 25' ' ' LYS . 0.1 OUTLIER -64.42 -45.4 87.71 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 121.221 -0.192 . . . . 0.0 110.835 -179.239 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.543 ' HG3' ' O ' ' A' ' 23' ' ' CYS . 13.4 ptmt -67.11 -30.39 70.4 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 121.063 0.459 . . . . 0.0 109.763 178.151 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.26 -6.29 47.03 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.844 179.058 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.613 ' HB2' ' NZ ' ' A' ' 28' ' ' LYS . 1.6 ttmp? 78.93 36.02 0.18 Allowed 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 123.902 0.881 . . . . 0.0 111.718 179.21 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.431 ' CG ' ' HB3' ' A' ' 43' ' ' CYS . 25.1 m-85 -109.28 149.04 30.04 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 178.231 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 23.7 t -61.18 -48.51 81.2 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.076 0.399 . . . . 0.0 112.076 -178.454 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -156.11 153.56 29.54 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.794 0.331 . . . . 0.0 111.52 -179.119 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.565 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -121.51 144.38 16.49 Favored Glycine 0 N--CA 1.447 -0.623 0 CA-C-N 115.753 -0.658 . . . . 0.0 112.211 179.723 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 24.0 p-80 -135.64 133.67 38.43 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.762 0.315 . . . . 0.0 110.734 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.416 ' HB3' ' HB3' ' A' ' 14' ' ' CYS . 43.2 m -66.79 132.9 49.03 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.323 -179.632 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.833 ' HB2' HD13 ' A' ' 42' ' ' LEU . 37.3 t -77.02 156.13 32.06 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.572 179.583 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 48.7 tttm -88.07 -25.86 22.84 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.305 179.207 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.412 ' HB ' ' H ' ' A' ' 38' ' ' LEU . 10.3 mt -68.85 -102.16 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.06 -179.267 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.412 ' H ' ' HB ' ' A' ' 37' ' ' ILE . 21.4 tp -82.98 13.81 3.73 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.46 0.647 . . . . 0.0 110.723 -179.742 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.562 ' HA ' ' O ' ' A' ' 35' ' ' SER . 0.2 OUTLIER 58.26 29.06 17.5 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.048 -0.978 . . . . 0.0 111.911 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 80.2 mtt-85 -72.85 150.57 42.56 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.985 -0.286 . . . . 0.0 110.446 178.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.445 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 26.0 t -80.72 106.31 12.63 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.559 -0.291 . . . . 0.0 110.308 179.75 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.833 HD13 ' HB2' ' A' ' 35' ' ' SER . 10.7 mp -87.21 119.57 27.59 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.119 179.668 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.431 ' HB3' ' CG ' ' A' ' 29' ' ' PHE . 82.6 m -98.69 135.72 39.78 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-O 120.928 0.394 . . . . 0.0 110.428 179.703 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.423 ' HA ' ' O ' ' A' ' 3' ' ' CYS . 0.5 OUTLIER -123.17 141.04 52.39 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.23 179.579 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.818 ' HB2' ' HZ2' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -155.83 173.62 16.49 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.629 0.728 . . . . 0.0 111.143 -179.335 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 11.0 pm0 -78.35 147.25 34.25 Favored 'General case' 0 C--N 1.31 -1.14 0 CA-C-N 113.906 -1.497 . . . . 0.0 110.878 -179.5 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 30.0 p . . . . . 0 C--O 1.254 1.316 0 CA-C-O 117.731 -1.128 . . . . 0.0 108.422 179.583 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.0 m . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 121.078 0.466 . . . . 0.0 109.977 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 58.2 m -90.07 133.46 34.83 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.734 -0.667 . . . . 0.0 111.589 -178.42 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.541 ' HD2' ' N ' ' A' ' 5' ' ' ALA . 0.5 OUTLIER -134.93 131.02 36.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.885 -179.461 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.541 ' N ' ' HD2' ' A' ' 4' ' ' LYS . . . -156.88 141.61 16.89 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.427 179.314 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -64.75 139.53 58.77 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.452 ' HB2' ' SG ' ' A' ' 43' ' ' CYS . 34.6 t -57.13 123.16 58.66 Favored Pre-proline 0 C--N 1.322 -0.603 0 O-C-N 123.253 0.346 . . . . 0.0 110.313 -179.5 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -58.39 -41.77 62.35 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.831 2.354 . . . . 0.0 111.904 -179.395 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 40.8 p -87.19 46.27 1.36 Allowed 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.543 179.396 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 50.6 t-105 -144.43 124.54 13.65 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.672 -178.834 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -150.31 60.06 0.96 Allowed 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 179.208 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 57.7 m -160.45 162.51 33.2 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.349 -178.626 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.751 HG13 ' HB3' ' A' ' 39' ' ' ARG . 95.2 t -78.93 127.35 39.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 178.914 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.423 ' HB3' ' HG3' ' A' ' 39' ' ' ARG . 5.3 t -68.55 135.19 51.16 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.258 0.551 . . . . 0.0 112.082 -178.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 51.2 mm -105.01 -40.08 5.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.676 178.822 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.641 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 20.5 t-20 -140.69 156.02 46.33 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.467 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.489 ' O ' HG23 ' A' ' 21' ' ' VAL . 57.8 tttm -63.71 -34.56 78.13 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 111.97 0.359 . . . . 0.0 111.97 -179.14 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.708 ' HB2' ' HD3' ' A' ' 19' ' ' PRO . 57.9 mtpt -50.27 -57.97 11.21 Favored Pre-proline 0 N--CA 1.472 0.642 0 N-CA-C 112.252 0.464 . . . . 0.0 112.252 -179.16 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.708 ' HD3' ' HB2' ' A' ' 18' ' ' LYS . 81.3 Cg_exo -50.55 -41.13 53.93 Favored 'Trans proline' 0 C--N 1.359 1.091 0 C-N-CA 122.392 2.061 . . . . 0.0 112.177 179.222 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 47.8 t -64.46 -50.09 68.88 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.627 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.489 HG23 ' O ' ' A' ' 17' ' ' LYS . 60.7 t -58.15 -41.2 80.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.47 179.326 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.04 -42.92 99.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.13 0.491 . . . . 0.0 110.169 179.242 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.713 ' HA ' ' HZ2' ' A' ' 26' ' ' LYS . 8.0 t -63.56 -51.57 64.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.647 179.045 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.52 ' SG ' ' HA3' ' A' ' 32' ' ' GLY . 84.3 m -60.5 -39.95 89.6 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.114 -0.948 . . . . 0.0 111.759 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.92 -40.36 96.29 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.738 -179.493 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.713 ' HZ2' ' HA ' ' A' ' 23' ' ' CYS . 6.1 ptpp? -68.34 -29.32 68.03 Favored 'General case' 0 CA--C 1.529 0.166 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 178.883 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -82.81 7.81 14.11 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.096 179.414 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 75.1 tttt 67.7 36.12 3.74 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 115.569 -0.741 . . . . 0.0 112.303 179.081 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -104.21 146.58 28.57 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.257 -0.645 . . . . 0.0 109.257 177.659 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.2 m -57.96 -49.28 77.33 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.254 -0.43 . . . . 0.0 112.114 -178.461 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -157.98 150.42 22.39 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.882 0.372 . . . . 0.0 111.24 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.52 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -113.06 141.39 16.89 Favored Glycine 0 N--CA 1.445 -0.711 0 CA-C-N 115.852 -0.613 . . . . 0.0 112.657 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 10.1 p80 -133.62 129.23 36.64 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.202 0.525 . . . . 0.0 110.22 179.292 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 61.8 m -75.04 142.27 43.8 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.895 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.425 ' HB3' ' CD1' ' A' ' 42' ' ' LEU . 5.6 p -79.39 -157.03 0.12 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.811 0.339 . . . . 0.0 110.701 179.651 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.403 ' H ' ' HB2' ' A' ' 35' ' ' SER . 40.9 ttmt -129.02 -46.75 1.23 Allowed 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 111.891 0.33 . . . . 0.0 111.891 -179.809 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 62.7 mt -61.3 -66.85 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 CA-C-O 120.738 0.304 . . . . 0.0 111.754 -178.812 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.568 ' HB3' ' HG2' ' A' ' 40' ' ' ARG . 28.6 tp -91.78 -12.49 33.67 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.362 0.601 . . . . 0.0 109.779 179.82 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.751 ' HB3' HG13 ' A' ' 13' ' ' VAL . 8.2 tpt180 61.08 32.75 19.72 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 114.949 -1.023 . . . . 0.0 110.982 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.568 ' HG2' ' HB3' ' A' ' 38' ' ' LEU . 10.7 ptt85 -83.08 163.23 21.04 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.791 178.321 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 40.3 t -85.2 107.21 17.15 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 -178.482 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.427 ' HB3' ' HD3' ' A' ' 4' ' ' LYS . 10.0 mp -89.98 119.86 30.7 Favored 'General case' 0 C--N 1.334 -0.1 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 177.929 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.507 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 86.3 m -96.53 136.77 36.58 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-O 120.888 0.375 . . . . 0.0 110.956 -179.814 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -123.05 137.79 54.85 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.436 179.241 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 14.4 pttp -162.37 164.14 27.47 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.939 179.506 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.411 ' H ' ' HG2' ' A' ' 46' ' ' GLU . 0.8 OUTLIER -80.67 136.4 36.19 Favored 'General case' 0 C--N 1.313 -0.978 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.872 179.153 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.244 0.766 0 CA-C-O 118.671 -0.681 . . . . 0.0 109.258 178.67 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.654 ' HA ' ' OXT' ' A' ' 47' ' ' CYS . . . . . . . . 0 N--CA 1.477 0.904 0 CA-C-O 121.095 0.474 . . . . 0.0 110.637 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 12.5 m -152.77 123.8 7.49 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 59.2 m -121.89 138.16 54.51 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.813 0.34 . . . . 0.0 111.167 -179.314 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.745 ' HD2' HD23 ' A' ' 42' ' ' LEU . 12.0 ttpp -131.11 139.47 49.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.674 -179.684 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -158.53 129.71 6.39 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 178.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.643 ' OE1' ' HG ' ' A' ' 42' ' ' LEU . 0.1 OUTLIER -69.26 141.72 54.32 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 -178.452 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.774 ' SG ' ' HB2' ' A' ' 10' ' ' TRP . 0.7 OUTLIER -46.4 122.52 6.73 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.177 0.923 . . . . 0.0 110.199 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -54.4 -45.09 43.62 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.988 2.458 . . . . 0.0 112.404 -178.359 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.9 p -89.52 44.5 1.21 Allowed 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.411 179.063 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.774 ' HB2' ' SG ' ' A' ' 7' ' ' CYS . 23.5 t-105 -136.98 115.54 11.98 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-O 121.058 0.456 . . . . 0.0 111.236 -178.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -150.36 51.44 0.89 Allowed 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.905 0.86 . . . . 0.0 108.806 178.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.4 m -154.0 172.96 16.63 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.136 -0.938 . . . . 0.0 110.077 -179.049 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 85.7 t -78.57 122.86 34.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.133 -179.457 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.564 ' HB3' ' HG3' ' A' ' 39' ' ' ARG . 0.7 OUTLIER -74.24 128.06 34.57 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.806 -0.633 . . . . 0.0 111.025 179.372 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 62.3 mt -98.42 -35.6 5.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.457 179.704 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.613 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 18.6 t-20 -139.53 152.42 46.9 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.151 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.564 ' O ' HG23 ' A' ' 21' ' ' VAL . 57.6 tttm -64.34 -36.19 83.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.257 -0.429 . . . . 0.0 112.05 -178.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.653 ' HB2' ' HD3' ' A' ' 19' ' ' PRO . 55.5 mtmt -48.69 -56.82 13.08 Favored Pre-proline 0 N--CA 1.472 0.639 0 N-CA-C 112.748 0.647 . . . . 0.0 112.748 -178.826 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.653 ' HD3' ' HB2' ' A' ' 18' ' ' LYS . 91.9 Cg_exo -49.07 -45.47 29.2 Favored 'Trans proline' 0 C--N 1.358 1.058 0 C-N-CA 122.455 2.103 . . . . 0.0 112.087 179.307 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 43.5 t -63.5 -51.83 63.88 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.12 -0.945 . . . . 0.0 110.68 179.654 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.564 HG23 ' O ' ' A' ' 17' ' ' LYS . 46.8 t -57.14 -37.68 56.97 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.094 179.298 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.06 -48.14 82.67 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.151 178.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 23.1 t -63.02 -49.55 74.18 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-O 121.187 0.518 . . . . 0.0 110.303 179.021 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.678 ' SG ' ' HA3' ' A' ' 32' ' ' GLY . 85.3 m -56.66 -41.36 77.11 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.445 -179.269 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.444 ' HE2' HG12 ' A' ' 21' ' ' VAL . 54.7 mtmt -63.81 -47.09 82.22 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 121.165 -0.214 . . . . 0.0 110.995 179.413 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.44 ' HB2' ' HE2' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -71.56 -12.33 61.31 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 120.615 -0.434 . . . . 0.0 110.832 179.444 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -95.8 -1.21 50.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.342 179.308 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 34.0 ttpt 72.52 49.46 0.2 Allowed 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.582 179.507 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -121.45 147.82 45.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.374 -0.83 . . . . 0.0 109.057 178.176 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.548 ' OG ' ' HA ' ' A' ' 45' ' ' LYS . 1.4 m -58.89 -47.7 84.01 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -178.393 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -164.19 151.36 11.81 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.779 0.323 . . . . 0.0 110.785 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.678 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -115.03 141.84 17.28 Favored Glycine 0 N--CA 1.446 -0.658 0 CA-C-N 115.959 -0.564 . . . . 0.0 112.342 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 21.1 p80 -133.35 129.88 38.05 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 121.314 0.578 . . . . 0.0 110.42 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 62.8 m -72.49 133.82 45.0 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.37 -179.279 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.616 ' HB2' HD13 ' A' ' 42' ' ' LEU . 28.6 t -70.74 162.96 28.17 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.595 -0.729 . . . . 0.0 111.063 -179.506 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 37.2 ttmt -89.36 -29.85 18.81 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.397 179.177 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.456 ' HB ' ' H ' ' A' ' 38' ' ' LEU . 8.6 mt -69.45 -100.64 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.816 -178.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.456 ' H ' ' HB ' ' A' ' 37' ' ' ILE . 21.4 tp -75.82 2.42 12.34 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-O 121.231 0.538 . . . . 0.0 111.177 -179.138 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.564 ' HG3' ' HB3' ' A' ' 14' ' ' CYS . 23.5 tpt180 63.49 29.75 15.34 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.165 -0.925 . . . . 0.0 111.43 179.115 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.454 ' NE ' HD23 ' A' ' 38' ' ' LEU . 84.3 mtt-85 -71.48 155.85 40.12 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.656 178.741 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.499 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 13.2 t -85.12 102.73 13.5 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.5 179.33 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.745 HD23 ' HD2' ' A' ' 4' ' ' LYS . 10.1 mp -88.44 114.45 25.07 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 110.177 -0.305 . . . . 0.0 110.177 179.657 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.453 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 78.0 m -92.88 132.74 36.76 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 179.147 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -121.08 143.6 48.99 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.623 -179.776 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.548 ' HA ' ' OG ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -155.42 171.29 20.13 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.394 0.616 . . . . 0.0 111.379 -179.63 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.606 ' H ' ' CD ' ' A' ' 46' ' ' GLU . 0.4 OUTLIER -78.02 148.24 34.45 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 114.479 -1.237 . . . . 0.0 110.753 179.861 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.654 ' OXT' ' HA ' ' A' ' 1' ' ' ALA . 30.2 p . . . . . 0 C--O 1.244 0.81 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.99 0 N-CA-C 110.195 -0.298 . . . . 0.0 110.195 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.4 m -115.58 110.57 19.41 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 52.1 m -96.07 129.97 43.22 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.429 -179.174 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.761 ' HD2' HD23 ' A' ' 42' ' ' LEU . 6.5 ttpp -114.4 135.63 53.88 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.147 179.216 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -160.29 132.65 6.29 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 179.129 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.609 ' HG3' HD12 ' A' ' 42' ' ' LEU . 47.7 mp0 -66.72 137.68 56.85 Favored 'General case' 0 N--CA 1.443 -0.814 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 -179.686 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.429 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 31.0 t -51.56 125.59 28.28 Favored Pre-proline 0 C--N 1.322 -0.598 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.503 -178.731 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 7' ' ' CYS . 47.9 Cg_exo -56.47 -43.08 58.86 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.866 2.377 . . . . 0.0 112.406 -178.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 35.9 p -87.82 50.68 2.04 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.815 179.479 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.797 ' HZ2' ' HB2' ' A' ' 14' ' ' CYS . 58.6 t-105 -135.58 115.7 13.32 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.601 -179.577 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 46.9 t0 -150.75 62.97 0.93 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.683 0.754 . . . . 0.0 109.134 179.414 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 56.4 m -158.92 161.94 36.82 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.0 -178.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 60.9 t -77.69 115.46 19.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 179.659 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.797 ' HB2' ' HZ2' ' A' ' 10' ' ' TRP . 15.9 t -86.55 144.53 27.17 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.613 -0.721 . . . . 0.0 112.399 -178.524 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 70.1 mt -130.76 -61.09 0.84 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.425 0 CA-C-N 115.348 -0.842 . . . . 0.0 108.934 178.384 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.451 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 16.9 t-20 -81.12 146.78 30.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.509 -0.769 . . . . 0.0 109.24 178.688 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.61 ' HD2' ' HB3' ' A' ' 34' ' ' CYS . 35.1 mmtt -77.75 -29.02 50.83 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -178.406 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.583 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 28.0 ttpp -51.27 -51.8 65.16 Favored Pre-proline 0 CA--C 1.539 0.557 0 N-CA-C 112.281 0.474 . . . . 0.0 112.281 -179.645 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.583 ' HD3' ' HB3' ' A' ' 18' ' ' LYS . 99.3 Cg_exo -49.5 -43.09 40.22 Favored 'Trans proline' 0 C--N 1.361 1.191 0 C-N-CA 122.56 2.173 . . . . 0.0 112.04 179.183 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 47.1 t -65.34 -51.8 58.12 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.232 -0.895 . . . . 0.0 111.016 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 85.6 t -53.99 -41.21 48.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.766 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.38 -44.15 95.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.978 0.418 . . . . 0.0 110.362 178.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.658 ' HA ' ' HE2' ' A' ' 26' ' ' LYS . 3.0 t -62.44 -44.15 97.11 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.874 179.114 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.778 ' SG ' ' HA3' ' A' ' 32' ' ' GLY . 74.9 m -66.04 -41.06 91.38 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.797 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.619 ' HE3' ' O ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -62.9 -46.4 87.98 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.607 -0.269 . . . . 0.0 111.283 -179.628 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.658 ' HE2' ' HA ' ' A' ' 23' ' ' CYS . 50.6 pttt -67.1 -29.15 68.82 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.197 178.885 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -78.98 4.48 14.19 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.435 179.507 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.405 ' HE3' ' HB2' ' A' ' 28' ' ' LYS . 33.2 ttmt 68.96 39.37 1.82 Allowed 'General case' 0 C--O 1.238 0.467 0 C-N-CA 123.243 0.617 . . . . 0.0 112.051 178.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -107.31 148.49 28.95 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 177.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.63 ' OG ' ' HA ' ' A' ' 45' ' ' LYS . 1.6 m -55.6 -41.84 73.98 Favored 'General case' 0 C--N 1.329 -0.315 0 O-C-N 123.342 0.401 . . . . 0.0 111.057 -178.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -172.36 170.75 4.93 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 178.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.778 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -141.02 152.93 23.53 Favored Glycine 0 C--N 1.314 -0.664 0 C-N-CA 120.546 -0.835 . . . . 0.0 112.879 -178.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 22.9 p80 -135.67 128.75 31.62 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.864 0.84 . . . . 0.0 110.787 -179.677 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.61 ' HB3' ' HD2' ' A' ' 17' ' ' LYS . 53.6 t -69.07 126.41 29.71 Favored 'General case' 0 C--N 1.31 -1.111 0 CA-C-N 114.476 -1.238 . . . . 0.0 110.221 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.612 ' HB3' HD13 ' A' ' 42' ' ' LEU . 72.7 p -80.64 149.55 29.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.983 0.42 . . . . 0.0 111.059 -179.615 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -87.9 -27.54 22.11 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.83 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 51.9 mt -64.69 -82.59 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.903 -0.59 . . . . 0.0 112.565 -178.596 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.591 HD23 ' HD3' ' A' ' 40' ' ' ARG . 20.1 tp -93.19 3.32 55.87 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -178.133 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.688 ' HB3' ' H ' ' A' ' 14' ' ' CYS . 11.4 mpt_? 62.95 28.78 16.43 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.445 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.591 ' HD3' HD23 ' A' ' 38' ' ' LEU . 57.9 mtm180 -88.33 151.5 22.57 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 178.736 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.599 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 41.5 t -82.1 100.97 10.09 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.587 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.761 HD23 ' HD2' ' A' ' 4' ' ' LYS . 10.7 mp -86.06 113.0 21.78 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 110.266 -0.272 . . . . 0.0 110.266 179.604 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.439 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 66.3 m -97.04 141.6 29.99 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.429 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.9 p -125.75 139.32 53.62 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.247 179.718 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.63 ' HA ' ' OG ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -150.62 167.83 26.1 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 120.976 0.417 . . . . 0.0 110.529 -179.948 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.601 ' H ' ' CD ' ' A' ' 46' ' ' GLU . 0.4 OUTLIER -78.26 143.07 37.39 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.694 179.943 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 20.8 p . . . . . 0 C--O 1.242 0.674 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 -179.961 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.548 ' O ' ' HA ' ' A' ' 46' ' ' GLU . . . . . . . . 0 N--CA 1.484 1.227 0 N-CA-C 110.302 -0.259 . . . . 0.0 110.302 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.3 m -88.28 122.69 32.09 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 110.086 -0.339 . . . . 0.0 110.086 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 73.1 m -129.06 135.41 48.88 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.022 0.439 . . . . 0.0 111.598 -178.734 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.8 ' HD2' HD23 ' A' ' 42' ' ' LEU . 6.2 ttpp -139.59 138.46 36.21 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.25 179.63 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -162.39 132.42 4.62 Favored 'General case' 0 C--N 1.315 -0.896 0 N-CA-C 108.809 -0.812 . . . . 0.0 108.809 179.007 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.67 ' HG3' HD12 ' A' ' 42' ' ' LEU . 30.8 mp0 -64.45 138.38 58.38 Favored 'General case' 0 N--CA 1.443 -0.816 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 -179.812 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.425 ' HA ' ' HD2' ' A' ' 8' ' ' PRO . 31.5 t -48.52 122.09 10.2 Favored Pre-proline 0 C--N 1.322 -0.611 0 O-C-N 123.853 0.721 . . . . 0.0 110.417 -178.442 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.425 ' HD2' ' HA ' ' A' ' 7' ' ' CYS . 9.5 Cg_endo -54.07 -34.92 79.77 Favored 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 123.326 2.684 . . . . 0.0 112.251 -178.816 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -98.31 47.26 0.99 Allowed 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.225 178.865 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.483 ' HZ2' ' HA ' ' A' ' 14' ' ' CYS . 11.7 t-105 -156.99 132.68 9.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.97 -179.599 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -147.63 -20.78 0.37 Allowed 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.867 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.1 m -77.48 179.73 6.31 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.521 -0.763 . . . . 0.0 112.753 -177.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.507 HG13 ' HB2' ' A' ' 39' ' ' ARG . 98.2 t -79.27 132.3 32.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.058 -0.974 . . . . 0.0 111.14 -179.81 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.782 ' H ' ' HB3' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -65.82 132.03 47.73 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.012 179.765 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 53.5 mt -98.53 -27.62 3.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.53 0.681 . . . . 0.0 109.637 179.311 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.57 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 18.3 t-20 -166.99 161.5 15.0 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.46 -0.791 . . . . 0.0 108.959 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.51 ' O ' HG23 ' A' ' 21' ' ' VAL . 54.7 tttm -63.7 -37.37 87.1 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 111.551 0.204 . . . . 0.0 111.551 -178.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.637 ' HB2' ' HD3' ' A' ' 19' ' ' PRO . 38.6 mtmm -51.15 -57.39 14.1 Favored Pre-proline 0 N--CA 1.471 0.584 0 CA-C-O 119.257 -0.401 . . . . 0.0 112.027 -179.48 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.637 ' HD3' ' HB2' ' A' ' 18' ' ' LYS . 90.2 Cg_exo -48.53 -43.91 31.83 Favored 'Trans proline' 0 C--N 1.359 1.103 0 C-N-CA 122.452 2.101 . . . . 0.0 112.023 178.881 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 48.9 t -64.36 -50.81 66.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.796 179.791 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.582 ' O ' ' HG2' ' A' ' 25' ' ' LYS . 70.8 t -55.82 -45.0 79.48 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.22 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.589 179.539 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.89 -44.05 91.1 Favored 'General case' 0 C--O 1.24 0.594 0 CA-C-O 121.173 0.511 . . . . 0.0 110.293 179.182 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 4.8 t -60.0 -46.97 87.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.151 178.723 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.638 ' SG ' ' HA3' ' A' ' 32' ' ' GLY . 78.1 m -66.21 -32.03 73.22 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.098 -0.955 . . . . 0.0 111.514 179.544 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.717 ' HE2' ' HA ' ' A' ' 25' ' ' LYS . 8.7 mmpt? -61.82 -52.06 65.73 Favored 'General case' 0 CA--C 1.518 -0.26 0 N-CA-C 110.182 -0.303 . . . . 0.0 110.182 179.778 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 24.1 pttm -68.96 -25.95 64.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.485 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -78.27 -3.26 41.96 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.925 178.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.421 ' HE3' ' HB2' ' A' ' 28' ' ' LYS . 33.0 ttmt 68.5 56.04 0.48 Allowed 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.639 179.419 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.737 ' HA ' ' HD3' ' A' ' 45' ' ' LYS . 34.1 m-85 -125.05 154.33 41.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.46 178.812 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.749 ' H ' ' HB3' ' A' ' 45' ' ' LYS . 19.9 m -62.84 -50.73 69.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.477 0.18 . . . . 0.0 111.354 -179.218 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -160.71 149.85 16.98 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.532 -0.303 . . . . 0.0 110.57 179.587 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.638 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -114.03 144.23 18.18 Favored Glycine 0 N--CA 1.445 -0.71 0 C-N-CA 121.057 -0.592 . . . . 0.0 112.015 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 24.0 p80 -136.26 129.27 31.27 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 121.316 0.579 . . . . 0.0 110.727 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 37.5 m -70.2 128.83 37.63 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.405 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.646 ' O ' ' HA ' ' A' ' 39' ' ' ARG . 24.1 p -75.5 163.07 27.76 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.857 0.36 . . . . 0.0 110.786 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 39.8 ttpt -89.23 -34.74 16.53 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.011 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 69.6 mt -53.08 -56.94 5.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 112.937 0.717 . . . . 0.0 112.937 -178.509 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.419 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 19.7 tp -138.08 19.5 2.8 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.506 0.669 . . . . 0.0 110.902 -179.027 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.782 ' HB3' ' H ' ' A' ' 14' ' ' CYS . 0.6 OUTLIER 55.62 28.5 12.08 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 114.949 -1.023 . . . . 0.0 112.214 -179.922 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 75.3 mtt-85 -71.37 143.84 50.07 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 178.159 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.503 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 43.5 t -76.76 96.49 4.25 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.372 -179.216 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.8 HD23 ' HD2' ' A' ' 4' ' ' LYS . 10.8 mp -84.4 114.97 22.28 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 179.117 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.458 ' HB3' ' CG ' ' A' ' 29' ' ' PHE . 81.7 m -92.81 133.59 35.9 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 179.361 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.421 HG23 ' HG3' ' A' ' 4' ' ' LYS . 0.8 OUTLIER -123.78 140.23 53.19 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.279 0.562 . . . . 0.0 111.954 -179.065 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.749 ' HB3' ' H ' ' A' ' 30' ' ' SER . 61.3 pttt -161.52 -156.23 0.43 Allowed 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.118 -0.946 . . . . 0.0 108.675 178.706 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.548 ' HA ' ' O ' ' A' ' 1' ' ' ALA . 0.4 OUTLIER -129.46 143.48 50.85 Favored 'General case' 0 N--CA 1.444 -0.742 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 178.894 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 15.6 p . . . . . 0 C--O 1.245 0.851 0 CA-C-O 118.849 -0.596 . . . . 0.0 109.817 -179.215 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.918 0 N-CA-C 110.482 -0.192 . . . . 0.0 110.482 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 17.9 m -145.36 114.21 6.88 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.093 0.473 . . . . 0.0 110.103 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 64.7 m -95.27 139.41 31.62 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.814 -179.261 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.602 ' HG3' HG23 ' A' ' 44' ' ' THR . 31.5 ttmt -132.6 132.19 42.24 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.5 -179.18 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -167.08 145.2 4.92 Favored 'General case' 0 C--N 1.322 -0.619 0 O-C-N 123.756 0.66 . . . . 0.0 109.226 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.47 ' HA ' ' O ' ' A' ' 41' ' ' CYS . 2.3 mp0 -64.08 146.4 54.25 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 -179.817 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 31.6 t -59.65 126.62 83.29 Favored Pre-proline 0 C--N 1.321 -0.669 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.062 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -54.17 -38.6 87.85 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 123.061 2.507 . . . . 0.0 112.229 -179.18 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 22.7 p -97.36 44.1 1.06 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.098 179.621 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.643 ' HH2' ' HB2' ' A' ' 19' ' ' PRO . 25.1 t-105 -146.41 116.36 7.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.008 0.432 . . . . 0.0 111.451 -179.576 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -151.11 67.76 0.92 Allowed 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.912 0.863 . . . . 0.0 108.753 177.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 48.8 m -156.78 168.98 25.81 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 114.988 -1.005 . . . . 0.0 109.607 -178.712 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 58.0 t -77.92 126.07 37.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.08 0.467 . . . . 0.0 110.714 -179.627 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -74.42 133.39 42.42 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.78 -179.696 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 47.5 mm -100.71 -38.29 6.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.435 178.771 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.719 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 20.3 t-20 -144.67 160.72 40.74 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 179.128 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.591 ' HE3' ' CG2' ' A' ' 21' ' ' VAL . 8.5 ttpt -72.73 -30.18 63.96 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.44 0.533 . . . . 0.0 112.44 -178.588 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.729 ' CG ' ' HD3' ' A' ' 19' ' ' PRO . 14.4 ptmm? -53.19 -45.73 98.16 Favored Pre-proline 0 CA--C 1.548 0.869 0 N-CA-C 113.385 0.883 . . . . 0.0 113.385 -178.408 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.729 ' HD3' ' CG ' ' A' ' 18' ' ' LYS . 49.4 Cg_exo -58.96 -40.62 69.71 Favored 'Trans proline' 0 C--N 1.362 1.253 0 C-N-CA 121.746 1.631 . . . . 0.0 111.071 178.53 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.3 t -62.25 -48.65 79.02 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 114.942 -1.026 . . . . 0.0 109.974 179.371 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.591 ' CG2' ' HE3' ' A' ' 17' ' ' LYS . 61.1 t -57.58 -38.03 61.77 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.148 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.885 179.13 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.52 ' O ' ' HG2' ' A' ' 26' ' ' LYS . . . -63.04 -48.58 78.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.217 179.382 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.593 ' O ' ' HG3' ' A' ' 26' ' ' LYS . 5.9 t -60.29 -45.58 92.87 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 121.551 0.691 . . . . 0.0 109.538 178.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.565 ' SG ' ' HA3' ' A' ' 32' ' ' GLY . 71.8 m -64.88 -38.4 90.83 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.222 -0.899 . . . . 0.0 111.659 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -63.81 -46.52 84.75 Favored 'General case' 0 C--N 1.329 -0.319 0 O-C-N 122.477 -0.14 . . . . 0.0 111.059 -179.301 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.593 ' HG3' ' O ' ' A' ' 23' ' ' CYS . 10.4 ptmt -66.92 -27.83 67.81 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 120.816 0.341 . . . . 0.0 110.267 178.731 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -84.58 10.42 11.1 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-O 121.039 0.447 . . . . 0.0 110.674 179.059 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 29.3 tptt 64.29 61.96 0.86 Allowed 'General case' 0 CA--C 1.537 0.46 0 CA-C-O 122.172 0.987 . . . . 0.0 111.533 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.742 ' HA ' ' HB3' ' A' ' 45' ' ' LYS . 70.3 m-85 -132.39 147.56 52.39 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 177.747 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.434 ' OG ' ' HA ' ' A' ' 45' ' ' LYS . 4.3 m -64.45 -48.75 74.11 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 111.971 0.36 . . . . 0.0 111.971 -178.31 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -160.48 139.54 10.57 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.473 -178.611 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.565 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -105.62 141.74 15.43 Favored Glycine 0 N--CA 1.447 -0.628 0 CA-C-N 115.587 -0.733 . . . . 0.0 112.363 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 19.8 p-80 -125.61 131.26 52.72 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 120.933 0.397 . . . . 0.0 110.504 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 87.1 m -67.07 139.43 57.57 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.35 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.788 ' O ' ' HA ' ' A' ' 39' ' ' ARG . 34.6 t -72.69 148.74 44.45 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.487 179.372 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -89.46 -38.4 14.08 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.756 0.312 . . . . 0.0 110.961 -179.72 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 48.9 mt -67.62 -72.19 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.022 -0.535 . . . . 0.0 112.376 -178.686 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 18.1 tp -86.96 -9.85 54.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.153 0.501 . . . . 0.0 110.947 -178.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.788 ' HA ' ' O ' ' A' ' 35' ' ' SER . 10.8 tpt180 64.82 33.34 10.25 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.144 -0.934 . . . . 0.0 111.558 179.756 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.566 ' H ' ' HB3' ' A' ' 35' ' ' SER . 57.8 mtm180 -83.79 -145.54 0.08 Allowed 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.205 178.123 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.47 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 8.9 t -137.71 114.33 10.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.828 0.347 . . . . 0.0 111.202 -179.795 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.47 HD13 ' HB2' ' A' ' 35' ' ' SER . 10.2 mp -101.41 125.15 48.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.733 179.281 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.52 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 59.4 m -99.75 137.49 38.15 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-O 120.821 0.343 . . . . 0.0 111.825 -178.879 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.602 HG23 ' HG3' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -123.34 143.58 50.0 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.008 178.835 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.742 ' HB3' ' HA ' ' A' ' 29' ' ' PHE . 1.0 OUTLIER -160.61 178.32 9.62 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.618 0.723 . . . . 0.0 112.023 -179.888 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.467 ' OE1' ' HB2' ' A' ' 45' ' ' LYS . 5.0 pm0 -79.28 140.64 37.54 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 113.962 -1.472 . . . . 0.0 111.263 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 31.5 p . . . . . 0 C--O 1.242 0.684 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 178.927 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.581 ' HA ' ' O ' ' A' ' 47' ' ' CYS . . . . . . . . 0 N--CA 1.478 0.97 0 CA-C-O 121.04 0.448 . . . . 0.0 110.482 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 16.9 m -152.09 124.99 8.52 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.275 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 16.8 m -103.88 132.83 49.75 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.583 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.566 ' HD3' ' HG ' ' A' ' 42' ' ' LEU . 0.4 OUTLIER -133.29 132.31 41.23 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 -179.694 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.561 ' N ' ' HD2' ' A' ' 4' ' ' LYS . . . -161.57 135.75 6.88 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 179.187 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.561 ' HG3' HD12 ' A' ' 42' ' ' LEU . 8.9 mp0 -69.07 145.43 53.46 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 -179.821 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.771 ' SG ' ' HB2' ' A' ' 10' ' ' TRP . 0.5 OUTLIER -48.6 124.24 11.93 Favored Pre-proline 0 C--N 1.322 -0.622 0 O-C-N 123.841 0.713 . . . . 0.0 110.336 179.674 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_endo -55.35 -43.89 54.09 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.908 2.405 . . . . 0.0 111.962 -178.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.1 p -91.97 48.56 1.44 Allowed 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.225 178.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.771 ' HB2' ' SG ' ' A' ' 7' ' ' CYS . 17.5 t-105 -137.69 116.74 12.49 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 121.308 0.575 . . . . 0.0 111.569 -178.837 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 47.9 p-10 -132.03 -4.18 3.54 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.134 179.497 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.6 t -100.6 -169.21 1.68 Allowed 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.79 -178.557 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 86.5 t -88.47 128.4 40.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.338 -0.846 . . . . 0.0 111.495 -179.464 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.475 ' HA ' ' HZ2' ' A' ' 10' ' ' TRP . 35.5 t -81.63 103.22 11.19 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 178.867 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 62.8 mt -98.4 -53.83 7.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-O 120.876 0.37 . . . . 0.0 110.705 -178.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.529 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 14.7 t-20 -101.7 144.74 30.03 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.075 179.795 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.439 ' O ' HG23 ' A' ' 21' ' ' VAL . 64.6 tttp -67.14 -33.6 75.79 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.809 -179.538 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.699 ' HB2' ' HD3' ' A' ' 19' ' ' PRO . 35.1 mmtp -52.52 -57.33 16.1 Favored Pre-proline 0 CA--C 1.539 0.525 0 N-CA-C 112.429 0.529 . . . . 0.0 112.429 -179.234 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.699 ' HD3' ' HB2' ' A' ' 18' ' ' LYS . 82.7 Cg_exo -51.32 -44.15 44.93 Favored 'Trans proline' 0 C--N 1.357 0.992 0 C-N-CA 122.533 2.156 . . . . 0.0 112.296 179.505 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 37.0 t -63.96 -52.41 59.79 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.711 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.451 HG12 ' HE3' ' A' ' 25' ' ' LYS . 92.7 t -57.52 -37.02 55.87 Favored 'Isoleucine or valine' 0 C--O 1.232 0.184 0 CA-C-O 120.809 0.338 . . . . 0.0 110.457 179.28 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.02 -44.73 96.98 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.156 178.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.627 ' O ' ' HG3' ' A' ' 26' ' ' LYS . 14.1 t -67.95 -43.96 77.9 Favored 'General case' 0 CA--C 1.514 -0.419 0 CA-C-O 121.469 0.652 . . . . 0.0 110.285 178.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.505 ' SG ' ' HA3' ' A' ' 32' ' ' GLY . 75.2 m -59.64 -44.29 93.56 Favored 'General case' 0 C--N 1.311 -1.07 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.415 -179.164 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.451 ' HE3' HG12 ' A' ' 21' ' ' VAL . 17.9 ptpt -66.52 -38.39 87.09 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.52 -0.472 . . . . 0.0 111.287 179.729 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.627 ' HG3' ' O ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -69.2 -22.19 63.9 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 120.336 -0.546 . . . . 0.0 110.285 178.937 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -96.79 9.65 41.15 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 121.183 0.516 . . . . 0.0 110.547 179.092 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 78.1 tttt 64.68 54.26 1.43 Allowed 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 115.302 -0.863 . . . . 0.0 112.345 179.294 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.752 ' HA ' ' HD3' ' A' ' 45' ' ' LYS . 35.3 m-85 -122.23 146.74 46.98 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 177.716 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.667 ' H ' ' HB3' ' A' ' 45' ' ' LYS . 6.3 m -63.95 -45.7 88.01 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 112.977 0.732 . . . . 0.0 112.977 -178.054 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -154.82 153.42 31.14 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.893 0.377 . . . . 0.0 111.854 -179.241 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.505 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -119.63 142.04 16.05 Favored Glycine 0 N--CA 1.447 -0.621 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.862 179.382 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 30.8 p80 -144.86 137.42 26.29 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.031 0.443 . . . . 0.0 111.277 -179.283 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 27.3 m -69.91 137.07 51.28 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.826 179.317 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.621 ' HB3' HD13 ' A' ' 42' ' ' LEU . 13.0 p -82.38 171.26 14.39 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.973 0.416 . . . . 0.0 111.292 -179.713 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -89.36 -31.32 17.83 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.43 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.499 ' HB ' ' H ' ' A' ' 38' ' ' LEU . 3.5 mt -67.72 -105.88 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 CA-C-O 121.25 0.548 . . . . 0.0 112.172 -178.347 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.499 ' H ' ' HB ' ' A' ' 37' ' ' ILE . 22.8 tp -73.0 4.03 4.71 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.223 -179.033 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.521 ' HD2' ' O ' ' A' ' 35' ' ' SER . 20.6 tpt180 62.37 32.64 16.82 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.191 -0.913 . . . . 0.0 110.695 179.818 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 68.9 mtt-85 -75.59 153.63 37.22 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.719 178.783 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.475 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 3.8 t -78.25 107.53 10.91 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 178.578 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.621 HD13 ' HB3' ' A' ' 35' ' ' SER . 9.8 mp -94.42 121.16 35.67 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.651 -0.249 . . . . 0.0 110.991 -179.824 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 72.7 m -96.13 134.42 39.22 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 178.345 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -129.02 141.72 51.14 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 120.967 0.413 . . . . 0.0 111.614 -178.781 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.752 ' HD3' ' HA ' ' A' ' 29' ' ' PHE . 59.9 pttt -160.72 157.26 26.67 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.715 179.459 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.6 pm0 -77.62 146.49 36.13 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-O 121.015 0.436 . . . . 0.0 110.555 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.581 ' O ' ' HA ' ' A' ' 1' ' ' ALA . 28.1 p . . . . . 0 C--O 1.252 1.218 0 CA-C-O 117.581 -1.199 . . . . 0.0 109.212 -179.638 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.644 ' HA ' ' OXT' ' A' ' 47' ' ' CYS . . . . . . . . 0 N--CA 1.479 0.995 0 CA-C-O 121.081 0.467 . . . . 0.0 110.518 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 11.4 m -152.23 125.14 8.51 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.432 ' O ' ' HA ' ' A' ' 44' ' ' THR . 34.6 m -116.87 132.97 56.56 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.019 0.438 . . . . 0.0 111.784 -178.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.545 ' HD2' ' N ' ' A' ' 5' ' ' ALA . 0.4 OUTLIER -113.29 128.35 56.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.518 -0.764 . . . . 0.0 109.607 179.611 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.545 ' N ' ' HD2' ' A' ' 4' ' ' LYS . . . -158.49 125.98 5.04 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 178.628 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.472 ' HG2' ' CD ' ' A' ' 40' ' ' ARG . 52.2 mp0 -63.25 143.44 57.79 Favored 'General case' 0 N--CA 1.446 -0.632 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 -179.656 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 35.8 t -51.89 128.08 36.35 Favored Pre-proline 0 C--N 1.324 -0.543 0 O-C-N 123.545 0.528 . . . . 0.0 110.54 -178.767 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_exo -52.47 -42.56 60.57 Favored 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 123.025 2.483 . . . . 0.0 112.413 -178.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 40.6 p -92.09 49.74 1.57 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.135 179.014 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 7.5 t-105 -154.28 135.98 14.41 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.478 -179.259 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -150.11 -29.84 0.22 Allowed 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.464 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 18.3 m -71.99 174.28 7.25 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.202 -0.908 . . . . 0.0 113.061 -177.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.468 HG13 ' HB3' ' A' ' 39' ' ' ARG . 69.0 t -78.1 130.23 36.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 114.868 -1.06 . . . . 0.0 110.91 -179.775 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -84.86 135.58 34.02 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.602 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.6 mp -99.82 -50.94 10.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.058 178.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.633 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 27.3 t30 -122.44 151.2 41.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.112 -179.452 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.463 ' HZ1' ' CG ' ' A' ' 31' ' ' ASP . 63.0 tttp -63.21 -33.91 76.52 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 -178.813 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.571 ' HB2' ' HD3' ' A' ' 19' ' ' PRO . 42.5 mmtm -50.52 -57.73 12.23 Favored Pre-proline 0 N--CA 1.474 0.732 0 N-CA-C 112.44 0.533 . . . . 0.0 112.44 -179.035 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.633 ' HD2' ' O ' ' A' ' 16' ' ' ASN . 85.8 Cg_exo -51.14 -42.3 53.95 Favored 'Trans proline' 0 C--N 1.358 1.026 0 C-N-CA 122.421 2.081 . . . . 0.0 112.136 179.225 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.7 t -62.81 -52.24 63.92 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.786 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 90.3 t -56.45 -41.43 72.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.836 179.619 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.46 -44.88 95.42 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 120.99 0.424 . . . . 0.0 110.539 179.327 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.642 ' HA ' ' HE2' ' A' ' 26' ' ' LYS . 2.9 t -63.44 -44.86 93.31 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 121.555 0.693 . . . . 0.0 109.791 179.16 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.485 ' HB3' ' HB2' ' A' ' 29' ' ' PHE . 79.0 m -65.44 -39.76 92.45 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.751 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.493 ' HD3' ' HA ' ' A' ' 25' ' ' LYS . 24.3 mmtp -64.92 -44.14 90.48 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 111.523 0.194 . . . . 0.0 111.523 -179.603 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.642 ' HE2' ' HA ' ' A' ' 23' ' ' CYS . 62.0 pttt -66.38 -31.43 72.19 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.605 -0.438 . . . . 0.0 110.173 179.213 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -84.94 4.79 31.9 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-O 120.899 0.381 . . . . 0.0 111.234 179.477 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.513 ' O ' ' HD3' ' A' ' 45' ' ' LYS . 7.8 tmtt? 66.55 70.84 0.4 Allowed 'General case' 0 C--O 1.233 0.201 0 C-N-CA 123.533 0.733 . . . . 0.0 111.386 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.585 ' HA ' ' HB3' ' A' ' 45' ' ' LYS . 60.2 m-85 -134.33 146.12 49.67 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.313 -0.858 . . . . 0.0 108.716 177.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.496 ' OG ' ' HA ' ' A' ' 45' ' ' LYS . 8.7 m -59.53 -46.49 88.7 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 111.841 0.312 . . . . 0.0 111.841 -178.577 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.463 ' CG ' ' HZ1' ' A' ' 17' ' ' LYS . 28.6 t70 -159.76 149.09 17.98 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.9 0.381 . . . . 0.0 110.874 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.481 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -108.38 134.14 12.06 Favored Glycine 0 N--CA 1.442 -0.909 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.927 179.596 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 18.4 p80 -134.42 125.49 27.61 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 121.692 0.758 . . . . 0.0 110.758 179.749 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 52.8 m -74.11 138.19 43.76 Favored 'General case' 0 C--N 1.307 -1.28 0 CA-C-N 115.093 -0.958 . . . . 0.0 109.982 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.413 ' HB3' HD13 ' A' ' 42' ' ' LEU . 6.4 p -74.18 -159.54 0.08 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.086 0.47 . . . . 0.0 111.779 -178.7 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 41.3 ttmt -125.3 -46.6 1.77 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.476 -179.558 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.627 ' H ' HD12 ' A' ' 37' ' ' ILE . 4.7 mp -66.52 -69.76 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 120.734 0.302 . . . . 0.0 111.02 -179.017 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.813 HD23 ' HD3' ' A' ' 40' ' ' ARG . 16.3 tp -81.21 -19.67 42.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.432 0.634 . . . . 0.0 109.327 179.435 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.468 ' HB3' HG13 ' A' ' 13' ' ' VAL . 28.8 tpt180 62.34 23.6 13.99 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 114.715 -1.13 . . . . 0.0 111.443 179.214 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.813 ' HD3' HD23 ' A' ' 38' ' ' LEU . 37.8 ptt180 -82.29 161.91 22.47 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 178.29 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 35.8 t -76.57 107.17 8.66 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 112.916 0.709 . . . . 0.0 112.916 -178.423 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.423 HD12 ' HG3' ' A' ' 6' ' ' GLU . 11.2 mp -92.01 123.96 35.75 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 177.672 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.475 ' HB3' ' CG ' ' A' ' 29' ' ' PHE . 70.9 m -102.54 136.55 42.17 Favored 'General case' 0 C--N 1.317 -0.837 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.618 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.432 ' HA ' ' O ' ' A' ' 3' ' ' CYS . 0.7 OUTLIER -122.31 141.04 51.95 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.126 179.414 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.585 ' HB3' ' HA ' ' A' ' 29' ' ' PHE . 50.7 pttt -154.55 -178.87 7.47 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.219 0.533 . . . . 0.0 111.75 -179.646 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.406 ' OE1' ' HB2' ' A' ' 45' ' ' LYS . 2.1 pm0 -79.54 148.85 31.63 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-N 114.612 -1.176 . . . . 0.0 111.286 -179.574 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.644 ' OXT' ' HA ' ' A' ' 1' ' ' ALA . 31.6 p . . . . . 0 C--O 1.245 0.828 0 CA-C-N 115.125 -0.943 . . . . 0.0 108.758 179.273 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.648 ' HA ' ' O ' ' A' ' 47' ' ' CYS . . . . . . . . 0 N--CA 1.478 0.932 0 CA-C-O 121.105 0.478 . . . . 0.0 110.605 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.1 m -152.57 125.7 8.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.264 -0.425 . . . . 0.0 109.905 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 28.0 m -114.8 137.81 51.5 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.818 0.342 . . . . 0.0 111.084 -179.49 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.54 ' HD2' ' N ' ' A' ' 5' ' ' ALA . 0.4 OUTLIER -133.33 129.54 37.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.75 -179.488 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.54 ' N ' ' HD2' ' A' ' 4' ' ' LYS . . . -159.72 135.37 8.46 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.16 -0.682 . . . . 0.0 109.16 178.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.65 ' OE2' ' HG ' ' A' ' 42' ' ' LEU . 8.5 mp0 -65.01 138.62 58.47 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 -179.742 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.429 ' HB3' ' HB2' ' A' ' 10' ' ' TRP . 40.3 t -52.4 126.3 37.53 Favored Pre-proline 0 C--N 1.321 -0.641 0 O-C-N 123.497 0.498 . . . . 0.0 110.577 -178.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -54.43 -42.5 67.34 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 123.032 2.488 . . . . 0.0 112.279 -179.218 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 23.9 p -90.63 46.02 1.3 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.636 179.222 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.429 ' HB2' ' HB3' ' A' ' 7' ' ' CYS . 35.9 t-105 -144.83 119.29 9.65 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.558 -179.578 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -150.34 53.07 0.9 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.779 0.8 . . . . 0.0 109.108 179.364 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.0 p -152.17 171.37 18.02 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.366 -0.833 . . . . 0.0 110.731 -178.747 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 58.2 t -78.6 132.2 32.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.314 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.865 ' HB2' ' HG3' ' A' ' 39' ' ' ARG . 1.2 m -63.14 130.71 45.81 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.897 -0.592 . . . . 0.0 112.12 -179.702 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 45.2 mm -99.37 -27.67 3.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.602 -0.727 . . . . 0.0 109.213 178.601 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.591 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 20.2 t-20 -166.8 162.1 15.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.227 -0.897 . . . . 0.0 108.857 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.469 ' O ' HG23 ' A' ' 21' ' ' VAL . 55.9 tttm -67.5 -34.11 76.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.285 0.088 . . . . 0.0 110.905 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.574 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 0.1 OUTLIER -51.64 -56.7 18.75 Favored Pre-proline 0 CA--C 1.54 0.576 0 CA-C-N 116.592 -0.276 . . . . 0.0 111.284 -179.493 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.591 ' HD2' ' O ' ' A' ' 16' ' ' ASN . 80.1 Cg_exo -50.96 -44.49 41.68 Favored 'Trans proline' 0 C--N 1.36 1.133 0 C-N-CA 122.495 2.13 . . . . 0.0 111.834 178.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 51.3 t -62.05 -51.73 66.82 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.848 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 17' ' ' LYS . 98.9 t -57.16 -39.63 68.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.68 179.496 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.57 -44.16 97.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.91 0.385 . . . . 0.0 110.486 179.168 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.553 ' O ' ' HG3' ' A' ' 26' ' ' LYS . 4.9 t -63.26 -44.73 94.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.585 0.707 . . . . 0.0 109.394 178.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.61 ' SG ' ' HA3' ' A' ' 32' ' ' GLY . 71.6 m -64.9 -37.35 87.35 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.382 179.744 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.489 ' HD3' ' HA ' ' A' ' 25' ' ' LYS . 18.6 mmtp -65.03 -43.61 91.84 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 121.258 -0.177 . . . . 0.0 111.207 179.697 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.553 ' HG3' ' O ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -68.71 -25.68 64.89 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 178.686 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -84.05 -1.9 55.69 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.925 179.241 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 34.9 ttmt 72.39 45.71 0.34 Allowed 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 123.5 0.72 . . . . 0.0 111.925 179.303 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -115.13 147.79 39.79 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.843 -0.428 . . . . 0.0 109.843 178.462 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.518 ' OG ' ' HA ' ' A' ' 45' ' ' LYS . 1.7 m -57.47 -47.68 81.21 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.388 0.514 . . . . 0.0 112.388 -178.326 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -164.16 144.91 8.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.924 0.392 . . . . 0.0 110.987 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.61 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -107.98 141.16 15.69 Favored Glycine 0 N--CA 1.445 -0.738 0 CA-C-N 115.866 -0.607 . . . . 0.0 112.934 -179.519 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 10.9 p80 -133.59 131.36 39.57 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.05 0.453 . . . . 0.0 110.153 179.164 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 67.3 m -74.52 140.83 44.77 Favored 'General case' 0 C--N 1.311 -1.089 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.71 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.458 ' O ' ' HD3' ' A' ' 39' ' ' ARG . 12.1 p -77.97 -165.12 0.6 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.017 0.437 . . . . 0.0 111.599 -179.248 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.484 ' HA ' ' NH1' ' A' ' 39' ' ' ARG . 23.8 pttm -117.1 -19.06 9.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.745 -179.749 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.444 ' HB ' ' H ' ' A' ' 38' ' ' LEU . 16.6 mt -77.99 -100.74 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.804 0.335 . . . . 0.0 110.512 -179.561 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.444 ' H ' ' HB ' ' A' ' 37' ' ' ILE . 26.8 tp -73.44 -2.76 23.76 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.339 0.59 . . . . 0.0 110.367 179.532 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.865 ' HG3' ' HB2' ' A' ' 14' ' ' CYS . 12.9 tpp180 67.27 32.16 6.15 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 114.845 -1.07 . . . . 0.0 110.51 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 82.6 mtt-85 -69.12 152.47 45.12 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.208 178.475 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.42 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 24.9 t -82.19 104.55 12.6 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.787 179.607 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.65 ' HG ' ' OE2' ' A' ' 6' ' ' GLU . 10.8 mp -86.94 117.39 25.63 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 179.158 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.407 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 76.6 m -94.51 131.62 40.04 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-O 120.966 0.412 . . . . 0.0 110.573 179.769 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -115.16 144.55 43.51 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.833 179.252 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.518 ' HA ' ' OG ' ' A' ' 30' ' ' SER . 10.5 ptmm? -157.3 165.01 37.0 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 120.971 0.415 . . . . 0.0 110.589 -179.712 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.575 ' H ' ' CD ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -79.56 145.62 33.04 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.524 179.372 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.648 ' O ' ' HA ' ' A' ' 1' ' ' ALA . 28.6 p . . . . . 0 C--O 1.251 1.173 0 CA-C-O 117.395 -1.288 . . . . 0.0 109.048 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.681 ' HA ' ' O ' ' A' ' 47' ' ' CYS . . . . . . . . 0 N--CA 1.48 1.032 0 CA-C-O 121.023 0.439 . . . . 0.0 110.661 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.5 m -152.65 122.49 6.96 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.206 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 33.5 m -114.77 138.73 50.39 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.788 0.327 . . . . 0.0 110.642 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.506 ' HD2' HD23 ' A' ' 42' ' ' LEU . 13.9 ttpp -150.91 121.11 7.24 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.161 -179.117 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -160.48 152.45 20.11 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.232 179.377 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.622 ' HA ' ' O ' ' A' ' 41' ' ' CYS . 24.3 mt-10 -65.45 141.8 58.39 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.81 0.338 . . . . 0.0 110.809 -179.452 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.4 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 44.4 t -52.74 126.05 39.85 Favored Pre-proline 0 C--N 1.326 -0.452 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.939 -179.008 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 7' ' ' CYS . 43.9 Cg_exo -57.26 -41.71 70.45 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.919 2.413 . . . . 0.0 112.369 -179.344 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 38.8 p -90.99 43.71 1.16 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.032 179.668 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.546 ' HB2' ' SG ' ' A' ' 23' ' ' CYS . 23.2 t-105 -146.35 123.73 11.65 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.51 -179.716 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.6 ' HA ' ' HD2' ' A' ' 40' ' ' ARG . 11.5 t70 -151.2 59.85 0.9 Allowed 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.722 0.773 . . . . 0.0 108.99 178.822 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.4 ' O ' ' HA ' ' A' ' 40' ' ' ARG . 22.5 t -146.66 170.61 16.58 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.171 -0.922 . . . . 0.0 109.466 -179.09 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 57.5 t -77.97 127.67 38.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 121.104 0.478 . . . . 0.0 110.972 -179.53 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.526 ' HB2' ' O ' ' A' ' 40' ' ' ARG . 3.8 t -66.8 119.83 12.52 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.787 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 48.4 mm -99.17 -34.37 4.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.203 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.533 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 5.7 t-20 -159.34 165.99 32.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.837 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.505 ' O ' HG23 ' A' ' 21' ' ' VAL . 55.9 tttm -64.0 -41.86 97.35 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 -178.494 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.768 ' HG3' ' HD3' ' A' ' 19' ' ' PRO . 1.2 pttm -49.57 -55.33 23.3 Favored Pre-proline 0 N--CA 1.475 0.804 0 N-CA-C 113.539 0.94 . . . . 0.0 113.539 -178.293 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.768 ' HD3' ' HG3' ' A' ' 18' ' ' LYS . 57.9 Cg_exo -54.3 -44.79 46.15 Favored 'Trans proline' 0 C--N 1.356 0.953 0 C-N-CA 121.795 1.663 . . . . 0.0 111.78 179.595 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 41.5 t -61.56 -47.5 85.26 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.262 -0.881 . . . . 0.0 109.913 179.139 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.505 HG23 ' O ' ' A' ' 17' ' ' LYS . 71.5 t -56.66 -43.43 78.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.68 178.716 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.39 -45.46 84.5 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.741 179.591 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.546 ' SG ' ' HB2' ' A' ' 10' ' ' TRP . 4.5 t -63.8 -44.49 93.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.442 0.639 . . . . 0.0 109.808 179.055 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.723 ' SG ' ' HA3' ' A' ' 32' ' ' GLY . 70.3 m -63.69 -37.49 87.55 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.617 -0.719 . . . . 0.0 111.439 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.499 ' HG2' ' O ' ' A' ' 21' ' ' VAL . 0.5 OUTLIER -65.77 -45.43 82.55 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 121.277 -0.169 . . . . 0.0 111.104 179.925 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.523 ' HG3' ' O ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -67.31 -26.36 66.48 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 120.65 -0.42 . . . . 0.0 110.445 179.34 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -81.23 -1.48 45.05 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.883 179.462 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 29.0 ttmt 71.07 43.67 0.64 Allowed 'General case' 0 C--O 1.236 0.369 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.598 179.367 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -109.07 150.21 28.15 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 178.109 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.504 ' OG ' ' HA ' ' A' ' 45' ' ' LYS . 9.4 p -60.04 -43.33 95.43 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 120.709 0.29 . . . . 0.0 111.127 -179.168 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -169.55 159.25 8.29 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.686 178.479 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.723 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -121.42 157.65 16.26 Favored Glycine 0 N--CA 1.446 -0.654 0 CA-C-N 115.844 -0.616 . . . . 0.0 112.245 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 32.7 p80 -139.26 145.33 39.06 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.973 0.416 . . . . 0.0 110.692 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 8.2 t -59.29 143.78 48.31 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.17 179.586 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.834 ' HB3' HD13 ' A' ' 42' ' ' LEU . 2.7 p -99.19 -157.27 0.59 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.775 0.321 . . . . 0.0 111.144 -179.746 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 39.9 ttpt -150.32 -39.47 0.14 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.366 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 27.6 mt -55.34 -76.93 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 CA-C-O 120.941 0.401 . . . . 0.0 111.034 -179.227 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.401 HD12 ' HA ' ' A' ' 38' ' ' LEU . 15.8 tp -91.44 -11.81 36.54 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 178.846 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.415 ' HA ' ' HD2' ' A' ' 39' ' ' ARG . 10.6 tpt180 64.08 35.53 10.38 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 113.886 -1.506 . . . . 0.0 111.229 179.428 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.6 ' HD2' ' HA ' ' A' ' 11' ' ' ASP . 69.3 mtm180 -87.46 -91.22 0.11 Allowed 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.535 -0.466 . . . . 0.0 111.131 178.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.622 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 4.0 t -176.23 106.76 0.07 Allowed 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 111.863 0.32 . . . . 0.0 111.863 -179.156 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.834 HD13 ' HB3' ' A' ' 35' ' ' SER . 5.6 mp -87.39 121.39 29.77 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 120.709 0.29 . . . . 0.0 110.951 178.369 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.499 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 67.8 m -98.9 140.55 32.9 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.238 178.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.467 HG22 ' HB2' ' A' ' 4' ' ' LYS . 1.2 p -118.27 143.9 46.22 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.017 179.608 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.504 ' HA ' ' OG ' ' A' ' 30' ' ' SER . 17.7 ptmt -160.92 166.77 27.86 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.118 0.485 . . . . 0.0 111.328 -179.74 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -79.46 150.79 31.14 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.008 -0.996 . . . . 0.0 110.324 178.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.681 ' O ' ' HA ' ' A' ' 1' ' ' ALA . 29.4 p . . . . . 0 C--O 1.252 1.202 0 CA-C-O 117.469 -1.253 . . . . 0.0 109.016 179.631 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.935 0 CA-C-O 121.023 0.439 . . . . 0.0 110.595 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 5.8 m -101.71 110.44 22.43 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 179.723 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.431 ' O ' ' HA ' ' A' ' 44' ' ' THR . 64.5 m -116.84 134.59 54.59 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 112.497 0.554 . . . . 0.0 112.497 -177.678 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.529 ' HD2' ' N ' ' A' ' 5' ' ' ALA . 0.5 OUTLIER -130.09 128.94 42.9 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.576 179.792 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.529 ' N ' ' HD2' ' A' ' 4' ' ' LYS . . . -158.76 128.45 5.71 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 178.836 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.632 ' HG3' HD12 ' A' ' 42' ' ' LEU . 41.8 mp0 -64.24 140.35 58.86 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 -179.831 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 49.5 t -51.31 125.11 24.9 Favored Pre-proline 0 C--N 1.322 -0.616 0 O-C-N 123.665 0.603 . . . . 0.0 110.448 -179.053 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -53.88 -41.6 73.43 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.914 2.409 . . . . 0.0 112.11 -179.035 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 21.9 p -90.86 43.56 1.15 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.587 179.023 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.671 ' HZ2' ' HA ' ' A' ' 14' ' ' CYS . 10.0 t-105 -150.32 85.91 1.4 Allowed 'General case' 0 N--CA 1.45 -0.47 0 CA-C-O 121.666 0.746 . . . . 0.0 111.248 -179.52 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 1.046 ' HA ' HH12 ' A' ' 40' ' ' ARG . 12.3 p-10 -103.79 -9.62 18.9 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-N 115.326 -0.852 . . . . 0.0 109.814 178.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.1 t -82.21 -176.78 6.35 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.173 -0.922 . . . . 0.0 112.267 -178.677 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 88.3 t -85.13 130.04 36.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.046 -0.979 . . . . 0.0 111.416 -179.602 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.671 ' HA ' ' HZ2' ' A' ' 10' ' ' TRP . 1.9 t -80.1 126.47 31.12 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.363 178.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 56.4 mt -98.99 -39.59 8.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 120.916 0.389 . . . . 0.0 111.182 -179.478 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.611 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 19.6 t-20 -144.11 160.94 40.04 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.398 -178.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.449 ' O ' HG23 ' A' ' 21' ' ' VAL . 63.5 tttp -65.04 -36.31 83.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.286 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.74 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 22.6 tptp -51.47 -57.31 14.79 Favored Pre-proline 0 CA--C 1.54 0.595 0 CA-C-O 119.476 -0.297 . . . . 0.0 111.767 -179.464 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.74 ' HD3' ' HB3' ' A' ' 18' ' ' LYS . 65.9 Cg_exo -56.11 -42.12 69.71 Favored 'Trans proline' 0 C--N 1.356 0.954 0 C-N-CA 122.326 2.017 . . . . 0.0 111.267 178.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 38.9 t -60.58 -51.4 69.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.182 -0.917 . . . . 0.0 110.713 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 17' ' ' LYS . 95.3 t -57.16 -36.44 51.65 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.109 0 CA-C-N 116.57 -0.286 . . . . 0.0 110.612 179.272 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.46 -46.24 87.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.85 0.357 . . . . 0.0 110.463 178.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.593 ' O ' ' HG3' ' A' ' 26' ' ' LYS . 4.1 t -64.73 -44.37 90.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.551 0.691 . . . . 0.0 109.497 179.08 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.57 ' SG ' ' HA3' ' A' ' 32' ' ' GLY . 78.2 m -64.52 -36.04 82.93 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.996 179.477 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.403 ' HD3' ' HA ' ' A' ' 25' ' ' LYS . 9.6 tppt? -65.82 -44.69 84.83 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.618 -0.264 . . . . 0.0 110.835 -179.738 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.593 ' HG3' ' O ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -66.9 -27.11 67.23 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-O 121.008 0.432 . . . . 0.0 109.962 178.927 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -81.07 -0.83 41.69 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.517 178.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.445 ' HB2' ' HE3' ' A' ' 28' ' ' LYS . 27.0 ttmt 71.55 35.98 1.36 Allowed 'General case' 0 C--O 1.237 0.405 0 CA-C-N 115.278 -0.874 . . . . 0.0 111.907 179.171 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.416 ' CD2' ' HG2' ' A' ' 45' ' ' LYS . 19.2 m-85 -102.12 148.67 25.11 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.8 178.207 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.512 ' OG ' ' HA ' ' A' ' 45' ' ' LYS . 0.9 OUTLIER -60.09 -49.45 77.62 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.958 -0.564 . . . . 0.0 112.129 -178.596 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.425 ' CG ' ' HZ1' ' A' ' 17' ' ' LYS . 4.9 t70 -158.09 145.96 18.51 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.862 0.363 . . . . 0.0 111.433 -179.584 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.57 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -109.6 141.2 16.03 Favored Glycine 0 N--CA 1.447 -0.608 0 CA-C-N 115.76 -0.655 . . . . 0.0 112.032 179.616 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 7.9 p80 -130.7 132.99 45.7 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.266 0.555 . . . . 0.0 111.356 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 2.9 t -68.67 133.95 49.18 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.161 -0.927 . . . . 0.0 109.619 179.521 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.77 ' HB3' HD13 ' A' ' 42' ' ' LEU . 54.6 p -87.8 -156.08 0.33 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.383 0.611 . . . . 0.0 112.188 -178.666 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -133.58 -34.28 1.05 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.667 -179.364 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.482 ' HB ' ' H ' ' A' ' 38' ' ' LEU . 5.7 mt -61.28 -98.96 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 CA-C-O 121.447 0.641 . . . . 0.0 111.678 -178.788 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.482 ' H ' ' HB ' ' A' ' 37' ' ' ILE . 23.3 tp -79.93 2.76 22.2 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.59 0.71 . . . . 0.0 109.945 -179.844 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 23.8 tpt180 63.63 31.95 14.22 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 114.487 -1.233 . . . . 0.0 110.841 179.742 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 1.046 HH12 ' HA ' ' A' ' 11' ' ' ASP . 74.9 mtt-85 -75.52 156.86 34.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.497 178.596 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.422 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 11.3 t -85.32 100.12 11.6 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.368 -0.378 . . . . 0.0 109.987 178.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.77 HD13 ' HB3' ' A' ' 35' ' ' SER . 10.6 mp -81.68 122.15 27.27 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.3 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.401 ' HB2' ' O ' ' A' ' 5' ' ' ALA . 64.0 m -103.09 136.16 43.41 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 120.817 0.341 . . . . 0.0 110.418 179.718 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.431 ' HA ' ' O ' ' A' ' 3' ' ' CYS . 0.2 OUTLIER -121.15 140.69 51.65 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.615 179.727 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.512 ' HA ' ' OG ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -160.94 165.29 30.23 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.271 179.549 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.599 ' H ' ' CD ' ' A' ' 46' ' ' GLU . 0.5 OUTLIER -80.16 124.55 28.88 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 114.999 -1.0 . . . . 0.0 110.446 179.414 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.245 0.864 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 178.738 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.608 ' HA ' ' O ' ' A' ' 47' ' ' CYS . . . . . . . . 0 N--CA 1.478 0.961 0 CA-C-O 121.096 0.474 . . . . 0.0 110.495 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 13.4 m -152.15 125.56 8.79 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 56.0 m -115.7 128.88 56.22 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.953 0.406 . . . . 0.0 111.249 -179.144 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.636 ' HD3' ' HG ' ' A' ' 42' ' ' LEU . 0.5 OUTLIER -119.85 134.82 55.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.536 -179.84 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.589 ' N ' ' HD2' ' A' ' 4' ' ' LYS . . . -163.03 136.16 5.7 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 179.06 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.536 ' HG3' HD12 ' A' ' 42' ' ' LEU . 9.7 mp0 -66.34 139.22 58.02 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 -179.867 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.418 ' HB2' ' SG ' ' A' ' 43' ' ' CYS . 48.4 t -54.17 123.63 42.39 Favored Pre-proline 0 C--N 1.322 -0.6 0 O-C-N 123.456 0.473 . . . . 0.0 110.245 -179.431 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_endo -56.2 -41.86 72.25 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.884 2.389 . . . . 0.0 111.833 -179.295 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 35.9 p -86.8 44.48 1.17 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.396 178.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 38.3 t-105 -148.34 122.0 9.23 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-O 121.077 0.465 . . . . 0.0 111.539 -178.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -151.22 66.66 0.9 Allowed 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 178.19 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 9.2 t -161.9 179.51 7.99 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.776 -179.049 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.409 HG13 ' HG2' ' A' ' 39' ' ' ARG . 60.6 t -78.84 117.84 25.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 121.226 0.536 . . . . 0.0 111.347 -179.456 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.567 ' SG ' ' HB2' ' A' ' 20' ' ' CYS . 49.2 t -80.23 106.59 12.37 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.749 -0.659 . . . . 0.0 109.787 179.278 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 63.3 mt -99.31 -57.64 4.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-O 121.076 0.465 . . . . 0.0 110.307 -179.699 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.517 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 18.7 t-20 -95.9 146.81 24.28 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.501 179.243 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.405 ' O ' HG23 ' A' ' 21' ' ' VAL . 39.2 mtmm -69.9 -33.62 72.45 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 111.939 0.348 . . . . 0.0 111.939 -179.556 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.71 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 12.5 tmtt? -51.03 -56.09 22.68 Favored Pre-proline 0 CA--C 1.539 0.547 0 CA-C-O 119.592 -0.242 . . . . 0.0 111.378 -179.342 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.71 ' HD3' ' HB3' ' A' ' 18' ' ' LYS . 83.5 Cg_exo -52.29 -43.83 50.87 Favored 'Trans proline' 0 C--N 1.357 0.986 0 C-N-CA 122.562 2.175 . . . . 0.0 112.263 179.251 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.567 ' HB2' ' SG ' ' A' ' 14' ' ' CYS . 39.4 t -65.67 -55.67 16.25 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.399 -179.256 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.603 ' O ' ' HG2' ' A' ' 25' ' ' LYS . 99.8 t -53.93 -45.59 63.76 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.221 0 CA-C-O 120.604 0.24 . . . . 0.0 110.38 179.691 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.68 -43.14 89.83 Favored 'General case' 0 C--O 1.238 0.491 0 CA-C-O 120.981 0.419 . . . . 0.0 110.749 179.229 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.639 ' HA ' ' HZ2' ' A' ' 26' ' ' LYS . 6.3 t -61.18 -46.93 88.46 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 178.88 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 72.7 m -61.61 -40.23 94.07 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 114.949 -1.023 . . . . 0.0 111.641 179.709 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.603 ' HG2' ' O ' ' A' ' 21' ' ' VAL . 12.6 mmmm -61.7 -42.56 99.11 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.855 -0.338 . . . . 0.0 110.646 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.639 ' HZ2' ' HA ' ' A' ' 23' ' ' CYS . 6.1 ptpp? -68.12 -30.76 69.99 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 120.484 -0.487 . . . . 0.0 109.892 179.372 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -80.74 4.5 18.73 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.918 179.508 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.417 ' HB2' ' HE3' ' A' ' 28' ' ' LYS . 32.4 ttmt 68.65 47.44 0.87 Allowed 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.545 179.527 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.68 ' HA ' ' HD3' ' A' ' 45' ' ' LYS . 31.0 m-85 -122.05 147.24 46.33 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 178.11 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.565 ' H ' ' HB3' ' A' ' 45' ' ' LYS . 2.7 m -76.85 -42.33 40.53 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 112.546 0.573 . . . . 0.0 112.546 -178.261 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -120.71 155.64 33.47 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.539 0.57 . . . . 0.0 112.539 -177.686 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -146.17 127.27 2.72 Favored Glycine 0 N--CA 1.444 -0.824 0 N-CA-C 110.325 -1.11 . . . . 0.0 110.325 178.545 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 43.9 p-80 -149.06 142.04 24.8 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.226 0.536 . . . . 0.0 111.925 -178.306 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 13.7 m -66.5 146.91 54.0 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.326 179.347 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.743 ' HB3' HD13 ' A' ' 42' ' ' LEU . 11.0 p -92.84 -159.0 0.64 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.076 0.465 . . . . 0.0 111.523 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.433 ' H ' ' HB2' ' A' ' 35' ' ' SER . 84.9 tttt -116.99 -35.16 4.18 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.652 -179.585 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.461 ' HB ' ' H ' ' A' ' 38' ' ' LEU . 12.4 mt -67.43 -102.3 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 CA-C-O 120.88 0.371 . . . . 0.0 111.783 -178.471 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.461 ' H ' ' HB ' ' A' ' 37' ' ' ILE . 26.0 tp -77.56 6.64 6.78 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.519 0.676 . . . . 0.0 110.719 -179.579 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.409 ' HG2' HG13 ' A' ' 13' ' ' VAL . 21.4 tpt180 60.79 30.09 19.44 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 114.923 -1.035 . . . . 0.0 110.824 179.723 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.4 ' NE ' HD23 ' A' ' 38' ' ' LEU . 84.6 mtt-85 -69.98 154.66 41.66 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.185 178.498 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.445 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 20.3 t -77.82 110.91 13.1 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.316 179.448 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.743 HD13 ' HB3' ' A' ' 35' ' ' SER . 9.4 mp -90.17 123.91 34.39 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.283 179.519 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.418 ' SG ' ' HB2' ' A' ' 7' ' ' CYS . 85.4 m -104.95 134.31 48.28 Favored 'General case' 0 C--N 1.313 -0.991 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 179.53 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.42 148.37 51.32 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-O 121.207 0.527 . . . . 0.0 110.86 -179.445 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.68 ' HD3' ' HA ' ' A' ' 29' ' ' PHE . 61.7 pttt -163.0 174.12 12.73 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.723 179.503 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.429 ' HG2' ' H ' ' A' ' 46' ' ' GLU . 13.8 pt-20 -79.21 151.47 31.2 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.642 179.445 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.608 ' O ' ' HA ' ' A' ' 1' ' ' ALA . 28.7 p . . . . . 0 C--O 1.253 1.287 0 CA-C-O 117.551 -1.214 . . . . 0.0 109.079 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.926 0 N-CA-C 110.224 -0.287 . . . . 0.0 110.224 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 12.2 m -121.35 106.54 11.55 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.424 ' O ' ' HA ' ' A' ' 44' ' ' THR . 59.2 m -91.86 136.95 32.76 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.024 -179.3 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.921 ' HD2' HD23 ' A' ' 42' ' ' LEU . 11.7 ttpp -131.49 121.45 24.53 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.834 -179.686 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -152.29 143.46 23.2 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.334 179.241 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.541 ' HG2' HD12 ' A' ' 42' ' ' LEU . 42.1 mt-10 -65.83 140.07 58.36 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 -179.489 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 15.1 t -53.93 126.14 50.05 Favored Pre-proline 0 C--N 1.325 -0.459 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.03 -179.171 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_exo -51.28 -39.8 62.08 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 123.141 2.561 . . . . 0.0 112.683 -178.808 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 40.2 p -92.83 50.64 1.59 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.132 179.166 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 9.0 t-105 -157.03 137.78 13.28 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.32 -179.15 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -150.54 -29.51 0.21 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.651 -179.647 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 17.4 m -72.8 175.66 6.3 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.238 -0.892 . . . . 0.0 113.079 -177.818 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.783 HG13 ' HB3' ' A' ' 39' ' ' ARG . 90.8 t -78.49 130.22 36.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 114.906 -1.043 . . . . 0.0 111.016 -179.719 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.49 ' HB3' ' HG3' ' A' ' 39' ' ' ARG . 0.1 OUTLIER -71.55 127.99 34.38 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.055 179.547 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 51.6 mt -99.35 -26.07 3.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.395 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.563 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 19.9 t-20 -153.72 153.69 32.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.613 -179.499 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.562 ' O ' HG23 ' A' ' 21' ' ' VAL . 22.0 tptp -62.16 -40.22 95.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.883 -179.594 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.706 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 40.0 ttpt -51.96 -56.83 18.08 Favored Pre-proline 0 N--CA 1.47 0.552 0 N-CA-C 112.615 0.598 . . . . 0.0 112.615 -178.79 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.706 ' HD3' ' HB3' ' A' ' 18' ' ' LYS . 85.4 Cg_exo -50.53 -42.67 48.4 Favored 'Trans proline' 0 C--N 1.358 1.041 0 C-N-CA 122.383 2.055 . . . . 0.0 112.109 179.493 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 49.9 t -63.4 -50.69 68.84 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.381 179.593 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.562 HG23 ' O ' ' A' ' 17' ' ' LYS . 60.9 t -56.83 -40.24 69.85 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.207 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.716 179.238 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.14 -46.66 89.64 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-O 120.847 0.356 . . . . 0.0 110.897 179.589 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.584 ' HA ' ' HE3' ' A' ' 26' ' ' LYS . 5.3 t -62.08 -46.78 87.57 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-O 121.601 0.715 . . . . 0.0 109.745 179.345 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.616 ' SG ' ' HA3' ' A' ' 32' ' ' GLY . 82.8 m -65.08 -39.09 92.7 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 114.905 -1.043 . . . . 0.0 111.663 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.403 ' HD3' ' HA ' ' A' ' 25' ' ' LYS . 10.3 tppt? -63.29 -47.77 80.91 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.634 -0.257 . . . . 0.0 111.22 -178.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.584 ' HE3' ' HA ' ' A' ' 23' ' ' CYS . 19.9 pttp -66.62 -28.63 68.64 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.85 -0.34 . . . . 0.0 110.496 179.524 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -84.76 6.77 23.08 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-O 120.978 0.418 . . . . 0.0 111.173 179.168 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.458 ' O ' ' HD3' ' A' ' 45' ' ' LYS . 8.2 tmtt? 65.22 68.17 0.5 Allowed 'General case' 0 C--N 1.333 -0.115 0 C-N-CA 123.635 0.774 . . . . 0.0 111.215 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.549 ' HA ' ' HB3' ' A' ' 45' ' ' LYS . 55.0 m-85 -132.28 147.09 52.39 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 178.012 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.532 ' OG ' ' HA ' ' A' ' 45' ' ' LYS . 6.0 m -59.18 -48.66 80.79 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.741 0.305 . . . . 0.0 110.681 -179.13 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 47.2 t0 -162.91 153.12 16.22 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.02 178.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.616 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -113.56 142.81 17.65 Favored Glycine 0 N--CA 1.444 -0.783 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 179.277 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 28.1 p80 -137.49 132.9 33.97 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-O 121.468 0.652 . . . . 0.0 110.654 -179.378 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 9.2 m -72.88 134.03 44.65 Favored 'General case' 0 C--N 1.311 -1.095 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.257 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.501 ' O ' ' HD2' ' A' ' 39' ' ' ARG . 18.7 p -73.97 -179.72 3.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.09 0.471 . . . . 0.0 111.903 -178.8 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 61.5 tttp -93.55 -31.44 14.53 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.749 -179.466 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 13.7 mt -69.96 -101.76 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 CA-C-O 120.898 0.38 . . . . 0.0 111.885 -178.386 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.803 HD23 ' HE ' ' A' ' 40' ' ' ARG . 24.5 tp -75.6 4.11 8.26 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 121.143 0.497 . . . . 0.0 111.228 -179.248 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.783 ' HB3' HG13 ' A' ' 13' ' ' VAL . 23.1 tpt180 62.09 32.22 17.58 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.249 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.803 ' HE ' HD23 ' A' ' 38' ' ' LEU . 97.6 mtt180 -68.81 156.18 38.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.904 179.38 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.486 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 44.3 t -83.0 96.8 8.44 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.385 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.921 HD23 ' HD2' ' A' ' 4' ' ' LYS . 11.1 mp -86.97 116.8 25.27 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 178.868 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.527 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 61.4 m -94.13 136.29 34.58 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-O 120.873 0.368 . . . . 0.0 111.175 -179.527 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.424 ' HA ' ' O ' ' A' ' 3' ' ' CYS . 0.3 OUTLIER -118.89 142.19 47.97 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.051 179.075 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.549 ' HB3' ' HA ' ' A' ' 29' ' ' PHE . 53.6 pttt -159.85 175.75 12.72 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.248 0.547 . . . . 0.0 111.701 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -79.56 145.48 33.12 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 114.67 -1.15 . . . . 0.0 111.065 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 25.4 p . . . . . 0 C--O 1.242 0.675 0 N-CA-C 109.13 -0.692 . . . . 0.0 109.13 179.273 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.586 ' HA ' ' O ' ' A' ' 47' ' ' CYS . . . . . . . . 0 N--CA 1.478 0.934 0 CA-C-O 121.097 0.475 . . . . 0.0 110.491 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 17.6 m -151.97 122.83 7.51 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 57.7 m -112.17 137.82 49.72 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.92 0.391 . . . . 0.0 111.237 -179.106 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.668 ' HG2' HG23 ' A' ' 44' ' ' THR . 54.9 mtmt -124.5 135.05 52.89 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.169 179.717 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -161.74 139.02 8.64 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.825 179.654 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.505 ' OE1' ' HD2' ' A' ' 40' ' ' ARG . 7.4 mt-10 -64.31 141.98 58.58 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.609 ' HB3' ' HB2' ' A' ' 10' ' ' TRP . 45.8 t -56.88 126.36 72.04 Favored Pre-proline 0 C--N 1.322 -0.589 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.268 -179.396 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 7' ' ' CYS . 51.8 Cg_exo -54.04 -39.13 86.68 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 123.115 2.544 . . . . 0.0 112.585 -179.145 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 23.7 p -97.78 45.36 1.03 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.059 179.682 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.609 ' HB2' ' HB3' ' A' ' 7' ' ' CYS . 45.2 t-105 -132.53 122.66 25.17 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.273 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -148.01 58.97 1.11 Allowed 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 179.482 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 64.6 m -160.79 169.51 22.58 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.218 -178.71 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 99.7 t -78.56 126.49 38.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 179.293 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.563 ' SG ' ' HB2' ' A' ' 20' ' ' CYS . 4.1 t -73.15 117.18 14.58 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.048 -179.449 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 63.7 mt -98.48 -53.21 8.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-O 120.952 0.406 . . . . 0.0 110.479 -179.477 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.57 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 18.1 t-20 -117.3 152.52 34.71 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.892 -0.594 . . . . 0.0 109.96 179.771 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.472 ' HZ1' ' CG ' ' A' ' 31' ' ' ASP . 63.2 tttp -64.79 -36.91 85.83 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.862 -179.546 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.691 ' HB2' ' HD3' ' A' ' 19' ' ' PRO . 57.7 mtpt -50.78 -57.08 14.67 Favored Pre-proline 0 N--CA 1.47 0.553 0 N-CA-C 112.45 0.537 . . . . 0.0 112.45 -179.134 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.691 ' HD3' ' HB2' ' A' ' 18' ' ' LYS . 85.4 Cg_exo -51.71 -43.29 52.05 Favored 'Trans proline' 0 C--N 1.358 1.04 0 C-N-CA 122.336 2.024 . . . . 0.0 112.147 179.453 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.563 ' HB2' ' SG ' ' A' ' 14' ' ' CYS . 42.8 t -64.7 -51.15 63.98 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.619 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.492 ' CG1' ' HE2' ' A' ' 25' ' ' LYS . 95.1 t -56.8 -42.15 77.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.952 179.566 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.568 ' O ' ' HG2' ' A' ' 26' ' ' LYS . . . -61.05 -46.64 89.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.246 179.203 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.474 ' O ' ' HG3' ' A' ' 26' ' ' LYS . 5.4 t -60.62 -42.26 96.49 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.603 0.716 . . . . 0.0 109.86 179.06 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.638 ' SG ' ' HA3' ' A' ' 32' ' ' GLY . 81.7 m -65.5 -46.5 79.45 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 115.275 -0.875 . . . . 0.0 112.151 -179.595 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.492 ' HE2' ' CG1' ' A' ' 21' ' ' VAL . 67.6 mttm -62.55 -40.74 97.79 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 111.887 0.329 . . . . 0.0 111.887 -179.192 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.568 ' HG2' ' O ' ' A' ' 22' ' ' ALA . 14.9 ptmt -67.62 -32.9 73.92 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.342 -0.543 . . . . 0.0 109.581 178.128 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -80.81 5.87 14.68 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.974 178.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.43 ' HD3' ' HA ' ' A' ' 28' ' ' LYS . 4.8 tppt? 71.4 56.83 0.19 Allowed 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.374 -0.83 . . . . 0.0 112.281 179.105 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.589 ' HA ' ' HD3' ' A' ' 45' ' ' LYS . 47.6 m-85 -130.53 148.01 52.28 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 178.136 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.537 ' H ' ' HB3' ' A' ' 45' ' ' LYS . 6.8 m -63.46 -48.22 78.62 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -178.572 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.472 ' CG ' ' HZ1' ' A' ' 17' ' ' LYS . 5.0 t70 -161.4 147.92 14.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.705 -0.225 . . . . 0.0 111.041 -179.09 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.638 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -114.76 153.29 17.72 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.921 -0.657 . . . . 0.0 112.85 -179.817 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 39.4 p-80 -139.5 135.09 33.13 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.889 0.376 . . . . 0.0 110.817 -179.763 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.463 ' HB3' ' HB3' ' A' ' 14' ' ' CYS . 22.4 m -72.8 126.79 30.76 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 178.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.658 ' O ' ' HA ' ' A' ' 39' ' ' ARG . 15.6 p -70.93 158.56 36.25 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 179.597 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 40.1 ttpt -88.77 -35.48 16.64 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 -178.591 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 62.1 mt -67.16 -75.71 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 112.799 0.666 . . . . 0.0 112.799 -178.002 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.715 ' HB3' ' HG2' ' A' ' 40' ' ' ARG . 22.1 tp -87.31 -9.25 55.43 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.134 0.492 . . . . 0.0 110.974 -178.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.658 ' HA ' ' O ' ' A' ' 35' ' ' SER . 22.0 tpt180 63.72 32.02 13.96 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.251 -0.886 . . . . 0.0 111.369 179.673 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.715 ' HG2' ' HB3' ' A' ' 38' ' ' LEU . 9.7 ptt180 -91.33 155.18 18.7 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.712 178.014 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.421 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 31.3 t -75.51 106.94 7.32 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.227 0.454 . . . . 0.0 112.227 -178.891 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.4 HD13 ' HB3' ' A' ' 35' ' ' SER . 9.5 mp -97.38 121.98 39.9 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 177.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.491 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 75.2 m -93.55 142.61 27.15 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-O 120.999 0.428 . . . . 0.0 111.34 -179.22 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.668 HG23 ' HG2' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -125.11 141.67 51.97 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.713 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.589 ' HD3' ' HA ' ' A' ' 29' ' ' PHE . 61.2 pttt -162.37 169.96 19.65 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.934 178.623 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.438 ' H ' ' HG2' ' A' ' 46' ' ' GLU . 12.8 pt-20 -78.54 151.08 32.68 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.033 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.586 ' O ' ' HA ' ' A' ' 1' ' ' ALA . 28.6 p . . . . . 0 C--O 1.253 1.288 0 CA-C-O 117.563 -1.208 . . . . 0.0 109.007 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.916 0 N-CA-C 110.321 -0.252 . . . . 0.0 110.321 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 36.2 m -147.14 118.63 7.93 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.077 0.465 . . . . 0.0 109.88 179.797 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 61.7 m -95.32 137.78 33.91 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.479 -179.465 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.523 ' HD2' HD23 ' A' ' 42' ' ' LEU . 37.1 ttpt -134.97 130.86 36.45 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.679 -179.378 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -168.46 146.19 4.08 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.294 179.677 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.528 ' HG2' ' HB3' ' A' ' 40' ' ' ARG . 3.4 mp0 -63.85 143.39 57.89 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.907 0.384 . . . . 0.0 110.64 -179.459 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.437 ' HB2' ' SG ' ' A' ' 43' ' ' CYS . 47.7 t -56.9 126.69 73.16 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.379 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 7' ' ' CYS . 44.2 Cg_exo -57.8 -42.21 61.64 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.93 2.42 . . . . 0.0 112.467 -179.3 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 56.7 p -88.58 45.43 1.29 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.087 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.48 ' HH2' ' HB2' ' A' ' 19' ' ' PRO . 58.1 t-105 -133.56 127.5 33.26 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.763 0.316 . . . . 0.0 110.785 -179.624 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -150.5 68.57 0.97 Allowed 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 179.328 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.7 t -170.27 171.57 6.67 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.062 -178.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 59.6 t -79.2 118.59 26.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.389 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.557 ' SG ' ' HB2' ' A' ' 20' ' ' CYS . 19.2 t -77.46 105.67 8.74 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 179.671 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 64.1 mt -98.88 -47.14 12.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 120.902 0.382 . . . . 0.0 110.597 -179.263 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.627 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 42.7 t30 -114.13 148.24 37.52 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.99 179.576 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.528 ' O ' HG23 ' A' ' 21' ' ' VAL . 7.4 mtpt -65.77 -35.58 81.11 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.79 0.663 . . . . 0.0 112.79 -178.737 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.675 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 10.3 tmtt? -47.13 -56.83 10.86 Favored Pre-proline 0 N--CA 1.473 0.706 0 N-CA-C 112.182 0.438 . . . . 0.0 112.182 -178.245 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.675 ' HD3' ' HB3' ' A' ' 18' ' ' LYS . 53.2 Cg_exo -56.2 -42.73 63.27 Favored 'Trans proline' 0 C--N 1.354 0.849 0 C-N-CA 122.142 1.894 . . . . 0.0 111.801 179.45 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.557 ' HB2' ' SG ' ' A' ' 14' ' ' CYS . 34.3 t -63.21 -49.68 73.24 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.703 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.528 HG23 ' O ' ' A' ' 17' ' ' LYS . 92.3 t -55.81 -42.85 72.03 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.96 179.513 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.15 -43.48 98.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.115 0.483 . . . . 0.0 110.366 179.3 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 1.012 ' HA ' ' HE3' ' A' ' 26' ' ' LYS . 4.8 t -65.63 -47.44 75.58 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.836 179.194 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.482 ' SG ' ' HA3' ' A' ' 32' ' ' GLY . 96.8 m -59.83 -47.61 85.02 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.313 -0.858 . . . . 0.0 112.193 -179.576 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -65.39 -33.6 76.34 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.966 -0.294 . . . . 0.0 111.664 -179.469 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 1.012 ' HE3' ' HA ' ' A' ' 23' ' ' CYS . 6.8 ptpt -66.52 -33.33 75.45 Favored 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 178.228 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -87.17 13.96 8.56 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.092 179.668 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 36.7 ttmt 66.88 57.57 0.63 Allowed 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 115.64 -0.709 . . . . 0.0 112.121 179.096 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.47 ' CD2' ' HG2' ' A' ' 45' ' ' LYS . 64.5 m-85 -128.74 146.07 51.0 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 108.928 -0.768 . . . . 0.0 108.928 178.142 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.498 ' OG ' ' HA ' ' A' ' 45' ' ' LYS . 0.4 OUTLIER -66.9 -45.41 78.1 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 112.24 0.459 . . . . 0.0 112.24 -178.32 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -154.43 157.14 38.02 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.99 0.424 . . . . 0.0 110.827 -179.169 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.482 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -123.43 161.73 17.63 Favored Glycine 0 N--CA 1.446 -0.634 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.821 179.652 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 33.5 p-80 -156.23 133.81 10.93 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.033 0.444 . . . . 0.0 111.183 -179.455 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 14.6 m -70.06 135.82 49.67 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.816 179.253 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.648 ' HB3' HD13 ' A' ' 42' ' ' LEU . 11.7 p -81.45 -155.06 0.12 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.918 0.389 . . . . 0.0 111.198 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.418 ' H ' ' HB2' ' A' ' 35' ' ' SER . 86.5 tttt -123.33 -39.89 2.42 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.265 -0.425 . . . . 0.0 112.104 -179.251 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 30.4 mt -60.54 -89.63 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.367 0 CA-C-O 120.903 0.382 . . . . 0.0 111.824 -178.458 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.701 HD23 ' HE ' ' A' ' 40' ' ' ARG . 26.3 tp -87.56 5.8 37.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.638 0.732 . . . . 0.0 110.094 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 59.13 33.7 22.95 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 114.559 -1.201 . . . . 0.0 110.533 -179.523 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.701 ' HE ' HD23 ' A' ' 38' ' ' LEU . 99.6 mtt180 -68.21 152.27 45.71 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.721 179.114 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.451 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 7.5 t -82.26 95.36 7.55 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.191 -0.459 . . . . 0.0 109.86 178.609 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.648 HD13 ' HB3' ' A' ' 35' ' ' SER . 9.8 mp -81.19 124.54 29.36 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.474 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.473 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 65.7 m -102.69 143.41 32.39 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.821 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -130.54 141.88 50.47 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.014 -179.687 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.498 ' HA ' ' OG ' ' A' ' 30' ' ' SER . 2.6 pttm -160.8 162.33 32.28 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.986 179.152 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.3 pm0 -77.66 145.77 36.48 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.154 179.595 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 22.8 p . . . . . 0 C--O 1.242 0.692 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 -179.727 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.601 ' HA ' ' OXT' ' A' ' 47' ' ' CYS . . . . . . . . 0 N--CA 1.478 0.961 0 CA-C-O 121.041 0.448 . . . . 0.0 110.598 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 11.7 m -152.18 114.18 4.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.013 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 78.0 m -110.26 141.3 43.41 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.68 -179.559 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.732 ' HB3' HG23 ' A' ' 44' ' ' THR . 24.2 pttm -150.44 142.26 23.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.024 0.44 . . . . 0.0 111.316 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -166.27 148.45 6.87 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.853 -1.067 . . . . 0.0 108.785 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.552 ' HG2' ' HB3' ' A' ' 40' ' ' ARG . 3.4 mp0 -60.63 139.57 57.77 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.701 0.286 . . . . 0.0 110.534 -179.331 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 22.3 t -55.88 124.43 58.03 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.355 179.739 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_exo -52.6 -39.82 74.52 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.967 2.445 . . . . 0.0 112.563 -178.716 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 26.7 p -92.71 47.3 1.28 Allowed 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.789 179.446 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.462 ' HH2' ' HB2' ' A' ' 19' ' ' PRO . 37.2 t-105 -145.68 125.07 13.06 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.874 0.369 . . . . 0.0 111.176 -179.318 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -150.71 62.5 0.93 Allowed 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 178.616 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 51.0 m -153.95 170.78 20.23 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.208 -0.906 . . . . 0.0 110.257 -178.526 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 61.9 t -77.48 118.85 25.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.13 0.49 . . . . 0.0 110.697 -179.585 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.412 ' SG ' ' HB2' ' A' ' 20' ' ' CYS . 22.1 t -76.03 99.16 4.51 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.888 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 66.9 mt -97.98 -53.24 8.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 121.021 0.438 . . . . 0.0 109.831 -179.685 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.532 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 16.9 t-20 -100.4 140.69 34.29 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 178.733 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.562 ' O ' HG23 ' A' ' 21' ' ' VAL . 51.2 tttm -67.84 -35.57 78.81 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 -178.328 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.681 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 39.9 ttpt -50.63 -55.87 23.28 Favored Pre-proline 0 N--CA 1.47 0.555 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 -178.701 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.681 ' HD3' ' HB3' ' A' ' 18' ' ' LYS . 75.4 Cg_exo -52.81 -43.72 53.85 Favored 'Trans proline' 0 C--N 1.357 0.98 0 C-N-CA 122.335 2.023 . . . . 0.0 112.072 179.663 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.412 ' HB2' ' SG ' ' A' ' 14' ' ' CYS . 42.1 t -62.68 -51.59 66.61 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.438 179.766 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.579 HG12 ' HE2' ' A' ' 25' ' ' LYS . 54.9 t -57.65 -38.18 63.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.692 179.308 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.29 -47.48 85.77 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.556 179.292 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.521 ' HA ' ' HE3' ' A' ' 26' ' ' LYS . 6.4 t -61.19 -45.87 92.8 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.33 0.586 . . . . 0.0 109.758 179.245 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.614 ' SG ' ' HA3' ' A' ' 32' ' ' GLY . 76.8 m -62.9 -47.45 83.24 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.104 -0.953 . . . . 0.0 112.428 -179.42 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.579 ' HE2' HG12 ' A' ' 21' ' ' VAL . 55.4 mtmt -59.87 -45.5 92.28 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 111.544 0.201 . . . . 0.0 111.544 -179.495 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.521 ' HE3' ' HA ' ' A' ' 23' ' ' CYS . 19.3 pttp -68.61 -25.34 64.81 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 120.518 -0.473 . . . . 0.0 110.558 179.733 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -88.41 9.85 22.08 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 121.087 0.47 . . . . 0.0 110.686 178.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 19.9 tptm 67.14 58.87 0.55 Allowed 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 115.33 -0.85 . . . . 0.0 112.266 179.367 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.544 ' HA ' ' HD3' ' A' ' 45' ' ' LYS . 56.2 m-85 -131.28 147.22 52.56 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 177.622 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.565 ' H ' ' HB3' ' A' ' 45' ' ' LYS . 10.4 m -63.25 -46.59 86.17 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.309 0.485 . . . . 0.0 112.309 -178.473 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -163.95 143.95 8.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.698 0.285 . . . . 0.0 111.271 -179.354 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.614 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -108.19 150.96 17.03 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 121.197 -0.525 . . . . 0.0 112.408 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 34.3 p-80 -142.9 140.47 31.21 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.04 0.448 . . . . 0.0 111.269 -179.388 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 22.4 m -68.73 139.18 55.34 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.939 179.278 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.751 ' HB3' HD13 ' A' ' 42' ' ' LEU . 21.1 p -90.3 169.96 10.67 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.87 0.367 . . . . 0.0 110.945 179.845 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 23.7 ttpp -88.99 -26.73 21.32 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.809 -179.404 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 16.8 mt -71.03 -106.17 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.914 -178.198 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.636 HD23 ' HE ' ' A' ' 40' ' ' ARG . 22.9 tp -77.66 12.21 1.76 Allowed 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 121.32 0.581 . . . . 0.0 111.166 -179.167 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.515 ' HD2' ' O ' ' A' ' 35' ' ' SER . 18.3 tpt180 58.87 30.66 20.42 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.652 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.636 ' HE ' HD23 ' A' ' 38' ' ' LEU . 99.4 mtt180 -69.7 151.8 45.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.547 179.026 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.544 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 10.1 t -82.3 98.45 8.8 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.292 178.843 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.751 HD13 ' HB3' ' A' ' 35' ' ' SER . 9.1 mp -84.98 117.33 23.9 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.714 179.652 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.599 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 73.3 m -91.21 129.65 37.18 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.503 179.785 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.732 HG23 ' HB3' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -115.31 146.43 41.52 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.166 -179.749 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.565 ' HB3' ' H ' ' A' ' 30' ' ' SER . 55.7 pttt -162.12 171.14 17.94 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.01 178.698 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.442 ' H ' ' HG2' ' A' ' 46' ' ' GLU . 14.4 pt-20 -78.43 151.17 32.86 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.163 -0.926 . . . . 0.0 110.915 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.601 ' OXT' ' HA ' ' A' ' 1' ' ' ALA . 29.3 p . . . . . 0 C--O 1.244 0.776 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.027 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.008 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 31.2 m -147.98 112.05 5.17 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.302 0.573 . . . . 0.0 110.326 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 61.3 m -91.1 138.18 31.8 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.248 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.51 ' HA ' ' O ' ' A' ' 43' ' ' CYS . 5.5 ttpm? -137.2 128.23 27.61 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.664 -179.215 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -162.72 142.9 9.49 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.36 -0.836 . . . . 0.0 108.966 179.776 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.502 ' OE2' ' HD3' ' A' ' 40' ' ' ARG . 50.4 mt-10 -66.34 143.61 57.07 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.845 0.355 . . . . 0.0 110.692 -179.205 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.426 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 34.3 t -58.77 126.79 81.47 Favored Pre-proline 0 C--N 1.321 -0.636 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.018 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 7' ' ' CYS . 36.6 Cg_exo -58.12 -40.6 75.47 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.82 2.347 . . . . 0.0 112.373 -179.258 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.1 p -87.28 50.08 1.94 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.204 179.678 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.514 ' HH2' ' HB2' ' A' ' 19' ' ' PRO . 58.1 t-105 -140.02 116.8 10.92 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.505 -179.75 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 13.7 p-10 -143.58 29.27 1.41 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.592 0.711 . . . . 0.0 109.941 -179.637 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.2 m -131.02 164.28 25.73 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.125 -179.69 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 60.8 t -78.58 124.99 37.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.936 179.649 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.736 ' HB3' ' HB3' ' A' ' 39' ' ' ARG . 12.0 t -73.34 124.6 26.05 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.467 -179.559 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 43.4 mm -102.01 -24.46 4.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.05 179.561 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.724 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 19.5 t-20 -151.16 155.29 38.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.775 -179.635 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.5 ' O ' HG23 ' A' ' 21' ' ' VAL . 57.2 tttm -63.71 -30.87 71.92 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.646 -0.252 . . . . 0.0 111.433 -179.494 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.829 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 23.8 tptm -48.36 -59.43 6.04 Favored Pre-proline 0 CA--C 1.543 0.695 0 N-CA-C 112.133 0.42 . . . . 0.0 112.133 -179.234 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.829 ' HD3' ' HB3' ' A' ' 18' ' ' LYS . 92.3 Cg_exo -50.99 -42.91 50.62 Favored 'Trans proline' 0 C--N 1.358 1.072 0 C-N-CA 122.756 2.304 . . . . 0.0 112.612 179.47 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.504 ' HB2' ' SG ' ' A' ' 34' ' ' CYS . 38.9 t -62.7 -50.17 72.2 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.091 -179.566 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.608 HG12 ' HE2' ' A' ' 25' ' ' LYS . 49.9 t -57.86 -38.98 69.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.812 0.339 . . . . 0.0 110.615 179.69 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.18 -47.45 84.43 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.456 179.227 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.451 ' O ' ' HG3' ' A' ' 26' ' ' LYS . 6.7 t -62.51 -47.71 82.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.097 179.357 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.721 ' SG ' ' HA3' ' A' ' 32' ' ' GLY . 88.8 m -59.47 -44.15 93.08 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.624 -0.716 . . . . 0.0 112.058 -179.62 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.608 ' HE2' HG12 ' A' ' 21' ' ' VAL . 55.2 mtmt -64.96 -41.51 95.4 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.782 -0.367 . . . . 0.0 111.199 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.451 ' HG3' ' O ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -70.59 -17.09 62.9 Favored 'General case' 0 C--O 1.232 0.172 0 C-N-CA 120.294 -0.562 . . . . 0.0 110.059 178.718 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -94.61 4.39 53.9 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.998 179.201 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.407 ' HE3' ' HB2' ' A' ' 28' ' ' LYS . 34.8 ttmt 70.51 57.4 0.25 Allowed 'General case' 0 C--O 1.236 0.361 0 CA-C-N 115.208 -0.906 . . . . 0.0 111.725 179.559 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.682 ' HA ' ' HD3' ' A' ' 45' ' ' LYS . 41.9 m-85 -131.48 148.65 52.66 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 178.525 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.625 ' H ' ' HB3' ' A' ' 45' ' ' LYS . 11.4 m -62.31 -48.27 80.6 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.054 0.39 . . . . 0.0 112.054 -178.795 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -159.37 151.7 21.18 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.746 0.308 . . . . 0.0 110.651 -179.688 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.721 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -119.04 146.62 18.36 Favored Glycine 0 N--CA 1.444 -0.807 0 C-N-CA 120.875 -0.678 . . . . 0.0 112.864 -179.702 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 29.2 p80 -134.55 129.24 34.75 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.464 0.649 . . . . 0.0 110.576 179.682 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.504 ' SG ' ' HB2' ' A' ' 20' ' ' CYS . 61.6 m -75.21 141.98 43.51 Favored 'General case' 0 C--N 1.311 -1.094 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.527 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 14.0 p -77.9 -162.59 0.34 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.733 0.302 . . . . 0.0 110.231 179.584 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -108.34 -43.76 4.27 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -179.33 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 38.2 mt -61.11 -88.64 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.358 0 N-CA-C 112.615 0.598 . . . . 0.0 112.615 -177.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.465 ' HB3' ' HG3' ' A' ' 40' ' ' ARG . 26.4 tp -87.2 7.16 29.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.17 0.51 . . . . 0.0 111.243 -178.72 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.736 ' HB3' ' HB3' ' A' ' 14' ' ' CYS . 35.6 mmt180 59.86 31.45 20.76 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.488 -179.189 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.502 ' HD3' ' OE2' ' A' ' 6' ' ' GLU . 66.9 mtt-85 -61.67 135.91 57.8 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.635 -0.712 . . . . 0.0 109.919 179.145 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.471 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 44.3 t -78.79 92.75 4.87 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.094 -0.503 . . . . 0.0 112.051 -178.38 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.3 mp -81.32 118.14 22.39 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 178.397 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.51 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 84.8 m -92.91 142.13 27.66 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 120.719 0.295 . . . . 0.0 110.719 -179.772 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -129.96 140.75 50.87 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.057 -179.778 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.682 ' HD3' ' HA ' ' A' ' 29' ' ' PHE . 62.1 pttt -161.12 162.86 31.62 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.399 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.457 ' H ' ' HG2' ' A' ' 46' ' ' GLU . 11.7 pt-20 -78.31 146.9 34.5 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.158 179.237 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 21.5 p . . . . . 0 C--O 1.252 1.232 0 CA-C-O 117.463 -1.256 . . . . 0.0 109.375 -179.672 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.585 ' HA ' ' O ' ' A' ' 47' ' ' CYS . . . . . . . . 0 N--CA 1.478 0.94 0 CA-C-O 121.038 0.447 . . . . 0.0 110.856 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.5 m -152.73 88.23 1.33 Allowed 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.475 ' O ' ' HA ' ' A' ' 44' ' ' THR . 56.7 m -89.81 143.82 26.47 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 120.991 0.424 . . . . 0.0 112.099 -178.446 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 1.019 ' HG2' HG23 ' A' ' 44' ' ' THR . 36.8 mtmm -129.18 136.34 50.03 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.097 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -163.82 131.18 3.38 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 179.313 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.571 ' HA ' ' O ' ' A' ' 41' ' ' CYS . 4.6 mp0 -63.99 141.21 58.85 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.049 0.452 . . . . 0.0 111.219 -178.658 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.709 ' SG ' ' HB2' ' A' ' 10' ' ' TRP . 0.1 OUTLIER -49.14 124.04 13.25 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 114.833 -1.076 . . . . 0.0 109.808 179.136 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -54.09 -42.08 70.07 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 123.051 2.5 . . . . 0.0 112.517 -178.547 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.2 p -90.44 41.02 1.03 Allowed 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.045 179.435 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.709 ' HB2' ' SG ' ' A' ' 7' ' ' CYS . 23.5 t-105 -140.48 116.86 10.7 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-O 121.073 0.463 . . . . 0.0 111.283 -179.586 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -151.03 55.59 0.89 Allowed 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 178.355 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.1 m -154.62 178.41 10.13 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.07 -0.968 . . . . 0.0 110.144 -178.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.741 HG13 ' HG3' ' A' ' 39' ' ' ARG . 84.4 t -78.1 124.36 36.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.243 -179.529 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.885 ' H ' ' HB2' ' A' ' 39' ' ' ARG . 3.0 t -72.36 123.98 24.18 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.648 -0.705 . . . . 0.0 109.572 179.521 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 52.3 mt -99.13 -25.17 4.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 121.202 0.525 . . . . 0.0 110.729 -179.171 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.578 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 18.9 t-20 -155.1 153.58 31.07 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.874 -179.646 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 63.6 tttp -64.55 -34.64 78.72 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.605 -179.647 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.724 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 88.1 tttt -51.29 -57.94 12.36 Favored Pre-proline 0 CA--C 1.539 0.521 0 CA-C-O 119.246 -0.407 . . . . 0.0 111.965 -179.343 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.724 ' HD3' ' HB3' ' A' ' 18' ' ' LYS . 63.0 Cg_exo -47.12 -46.72 18.56 Favored 'Trans proline' 0 C--N 1.359 1.085 0 C-N-CA 122.779 2.319 . . . . 0.0 112.381 179.14 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 52.9 t -64.33 -52.21 59.54 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.133 -0.94 . . . . 0.0 110.856 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 80.2 t -56.49 -37.53 52.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.31 179.209 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.82 -47.4 85.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.335 178.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.423 ' O ' ' HG3' ' A' ' 26' ' ' LYS . 16.6 t -64.45 -49.59 70.87 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 121.495 0.664 . . . . 0.0 110.244 179.101 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.61 ' SG ' ' HA3' ' A' ' 32' ' ' GLY . 68.1 m -55.81 -43.95 77.38 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.902 -179.522 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.569 ' HE3' ' O ' ' A' ' 30' ' ' SER . 0.1 OUTLIER -63.96 -45.38 89.37 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.022 0.378 . . . . 0.0 112.022 -179.852 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.423 ' HG3' ' O ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -68.47 -16.06 63.76 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.984 179.714 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -102.5 11.23 38.21 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-O 120.898 0.38 . . . . 0.0 110.988 179.409 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 46.5 tttp 65.37 51.66 1.53 Allowed 'General case' 0 CA--C 1.54 0.578 0 CA-C-O 121.674 0.75 . . . . 0.0 112.514 179.288 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.523 ' HB2' ' HB3' ' A' ' 24' ' ' CYS . 50.2 m-85 -117.14 145.18 43.98 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 177.471 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.569 ' O ' ' HE3' ' A' ' 25' ' ' LYS . 8.9 m -60.39 -45.62 92.89 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -178.605 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -166.8 150.62 6.98 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.649 0.261 . . . . 0.0 110.897 -179.708 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.61 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -116.91 147.65 18.9 Favored Glycine 0 N--CA 1.445 -0.73 0 C-N-CA 120.954 -0.641 . . . . 0.0 112.83 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 20.7 p-80 -137.53 129.29 28.64 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.9 0.381 . . . . 0.0 110.211 179.629 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 4.7 m -69.67 135.96 50.51 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.098 -179.355 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.542 ' O ' ' HA ' ' A' ' 39' ' ' ARG . 22.6 t -69.15 174.09 4.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.206 179.496 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.416 ' HE2' ' HB2' ' A' ' 36' ' ' LYS . 15.4 tppt? -89.69 -41.19 12.06 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 -179.146 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 31.7 mt -71.65 -95.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 120.696 0.284 . . . . 0.0 111.233 -178.581 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 32.0 tp -73.34 -4.91 36.28 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 121.496 0.665 . . . . 0.0 110.266 179.767 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.885 ' HB2' ' H ' ' A' ' 14' ' ' CYS . 17.2 mmt85 64.1 33.94 11.59 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 114.822 -1.081 . . . . 0.0 110.459 -179.569 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.523 ' HB3' ' HG2' ' A' ' 6' ' ' GLU . 83.4 mtt-85 -58.42 140.25 54.1 Favored 'General case' 0 C--N 1.334 -0.104 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 179.004 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.571 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 24.6 t -74.48 93.43 2.46 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.372 -179.073 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 8.1 mp -78.94 113.94 17.47 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 178.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.45 ' HB3' ' CG ' ' A' ' 29' ' ' PHE . 73.2 m -96.22 131.08 43.08 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 121.012 0.434 . . . . 0.0 111.149 -179.687 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' THR . . . . . 1.019 HG23 ' HG2' ' A' ' 4' ' ' LYS . 0.1 OUTLIER -106.2 147.34 29.17 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 178.225 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.495 ' HB3' ' CD2' ' A' ' 29' ' ' PHE . 14.1 pttp -160.4 -168.68 2.23 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 113.633 0.975 . . . . 0.0 113.633 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.434 ' H ' ' HG2' ' A' ' 46' ' ' GLU . 10.2 pt-20 -77.44 138.46 39.27 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 113.171 -1.831 . . . . 0.0 112.624 -178.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.585 ' O ' ' HA ' ' A' ' 1' ' ' ALA . 18.2 p . . . . . 0 C--O 1.249 1.079 0 CA-C-O 117.261 -1.352 . . . . 0.0 108.64 177.554 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.965 0 CA-C-O 121.096 0.474 . . . . 0.0 110.374 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 6.0 m -101.08 112.01 24.37 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 179.515 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.528 ' O ' ' HA ' ' A' ' 44' ' ' THR . 64.1 m -117.51 135.19 54.1 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 112.768 0.655 . . . . 0.0 112.768 -177.024 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.745 ' HD3' ' HG ' ' A' ' 42' ' ' LEU . 0.5 OUTLIER -122.7 131.81 53.97 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.274 -0.875 . . . . 0.0 109.52 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.578 ' N ' ' HD2' ' A' ' 4' ' ' LYS . . . -159.92 127.55 4.67 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 178.763 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.658 ' HG3' HD12 ' A' ' 42' ' ' LEU . 43.9 mp0 -63.94 136.34 57.26 Favored 'General case' 0 N--CA 1.446 -0.658 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 -179.637 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.442 ' HB2' ' SG ' ' A' ' 43' ' ' CYS . 23.4 t -54.07 124.5 45.5 Favored Pre-proline 0 C--N 1.32 -0.696 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.151 -179.098 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -55.79 -41.98 71.86 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.967 2.445 . . . . 0.0 112.146 -179.028 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.2 p -87.32 51.97 2.38 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.745 179.171 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 51.3 t-105 -147.02 126.22 12.98 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.769 -179.538 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -150.35 18.97 0.84 Allowed 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.314 179.625 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.9 t -114.21 -172.98 2.2 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.997 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.461 HG13 ' HG3' ' A' ' 39' ' ' ARG . 92.3 t -91.32 120.93 41.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.311 -179.711 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.569 ' SG ' ' HB2' ' A' ' 20' ' ' CYS . 20.2 t -79.63 118.91 21.9 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 179.036 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 64.8 mt -99.38 -48.93 11.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-O 120.968 0.413 . . . . 0.0 110.679 -179.312 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.654 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 37.4 t30 -125.19 164.88 19.31 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.015 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.43 ' O ' HG23 ' A' ' 21' ' ' VAL . 3.0 mmmp? -60.13 -36.93 78.59 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.014 0.375 . . . . 0.0 112.014 -179.56 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.705 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 22.4 tptm -47.93 -59.51 5.68 Favored Pre-proline 0 N--CA 1.472 0.626 0 N-CA-C 113.25 0.833 . . . . 0.0 113.25 -178.131 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.705 ' HD3' ' HB3' ' A' ' 18' ' ' LYS . 96.3 Cg_exo -50.14 -46.84 26.47 Favored 'Trans proline' 0 C--N 1.355 0.884 0 C-N-CA 122.272 1.981 . . . . 0.0 112.369 179.71 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.569 ' HB2' ' SG ' ' A' ' 14' ' ' CYS . 15.7 t -67.37 -51.37 52.85 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 114.952 -1.022 . . . . 0.0 111.038 -179.415 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.445 ' O ' ' HG2' ' A' ' 25' ' ' LYS . 76.7 t -55.44 -40.82 59.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.565 -0.289 . . . . 0.0 110.732 179.588 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.63 -49.14 78.73 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-O 120.782 0.325 . . . . 0.0 110.408 179.158 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 4.7 t -60.97 -46.86 89.01 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.593 0.711 . . . . 0.0 109.527 178.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.674 ' SG ' ' HA3' ' A' ' 32' ' ' GLY . 81.4 m -62.01 -36.24 80.94 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.021 179.385 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.746 ' HA ' ' HE3' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -60.63 -51.89 67.46 Favored 'General case' 0 CA--C 1.52 -0.179 0 CA-C-O 120.481 0.181 . . . . 0.0 110.751 179.602 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.28 -17.9 64.4 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.196 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -94.65 7.52 45.45 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.208 179.171 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.48 ' O ' ' HD2' ' A' ' 45' ' ' LYS . 12.6 tptp 66.71 37.44 4.28 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-O 121.908 0.861 . . . . 0.0 112.252 179.347 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.61 ' HB2' ' HB3' ' A' ' 24' ' ' CYS . 62.1 m-85 -107.72 145.7 33.1 Favored 'General case' 0 C--N 1.318 -0.765 0 O-C-N 121.237 -0.914 . . . . 0.0 109.744 177.51 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.3 m -58.85 -49.81 76.36 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.806 -178.871 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -159.07 154.06 25.03 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.597 -0.274 . . . . 0.0 110.528 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.674 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -122.17 140.9 13.89 Favored Glycine 0 N--CA 1.442 -0.936 0 CA-C-N 115.926 -0.579 . . . . 0.0 112.237 -179.866 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 26.4 p80 -132.22 135.32 46.22 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.1 0.476 . . . . 0.0 110.86 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.504 ' HB3' ' HB3' ' A' ' 14' ' ' CYS . 3.6 m -65.88 138.28 57.76 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.467 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.747 ' HB3' HD13 ' A' ' 42' ' ' LEU . 14.0 p -87.31 -156.69 0.35 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.076 0.465 . . . . 0.0 110.87 179.528 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.407 ' H ' ' HB2' ' A' ' 35' ' ' SER . 62.8 tttp -125.26 -35.85 2.56 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.626 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 61.0 mt -54.63 -55.06 17.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -178.563 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.446 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 23.5 tp -140.76 23.03 2.29 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.758 0.79 . . . . 0.0 109.701 -179.756 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.461 ' HG3' HG13 ' A' ' 13' ' ' VAL . 26.1 mmm180 53.28 28.79 7.65 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 114.659 -1.155 . . . . 0.0 111.099 -179.123 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 63.1 mtt-85 -67.42 143.44 56.28 Favored 'General case' 0 N--CA 1.449 -0.475 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 179.073 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.497 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 39.6 t -72.86 99.57 2.69 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.579 -178.61 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.747 HD13 ' HB3' ' A' ' 35' ' ' SER . 10.4 mp -82.35 112.65 19.52 Favored 'General case' 0 CA--C 1.515 -0.386 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 178.388 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.606 ' HB3' ' CG ' ' A' ' 29' ' ' PHE . 88.7 m -95.77 135.9 36.88 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.603 -179.452 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.528 ' HA ' ' O ' ' A' ' 3' ' ' CYS . 7.1 p -117.2 138.36 51.74 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 109.754 -0.462 . . . . 0.0 109.754 178.839 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.487 ' HB3' ' HA ' ' A' ' 29' ' ' PHE . 7.5 pttp -160.09 177.48 10.66 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.361 0.601 . . . . 0.0 110.838 -179.359 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.536 ' H ' ' CD ' ' A' ' 46' ' ' GLU . 0.4 OUTLIER -82.51 132.53 35.2 Favored 'General case' 0 C--N 1.312 -1.033 0 CA-C-N 114.384 -1.28 . . . . 0.0 112.488 -179.118 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.257 1.452 0 CA-C-O 117.592 -1.194 . . . . 0.0 109.008 177.319 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.935 0 N-CA-C 110.251 -0.278 . . . . 0.0 110.251 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 25.8 m -149.11 103.86 3.37 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.37 0.605 . . . . 0.0 110.071 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 94.0 m -97.72 146.11 25.68 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.435 -179.52 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.603 ' HB3' HG23 ' A' ' 44' ' ' THR . 24.3 pttm -150.12 138.79 20.75 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.276 0.56 . . . . 0.0 111.399 179.65 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -161.44 149.99 15.76 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 114.631 -1.168 . . . . 0.0 108.473 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.646 ' OE1' ' HD3' ' A' ' 40' ' ' ARG . 7.5 mt-10 -62.55 143.32 57.36 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.705 0.288 . . . . 0.0 110.582 -179.04 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 34.9 t -56.11 129.35 73.24 Favored Pre-proline 0 C--N 1.325 -0.475 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.073 -179.491 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -52.71 -41.49 69.03 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 123.154 2.569 . . . . 0.0 112.489 -179.036 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 37.7 p -93.66 50.52 1.47 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.584 179.335 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.404 ' HH2' ' HB2' ' A' ' 19' ' ' PRO . 6.4 t-105 -155.9 135.02 12.11 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.03 0.443 . . . . 0.0 110.562 -179.502 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -150.96 -28.18 0.2 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.63 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.3 m -72.64 175.31 6.49 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.327 -0.852 . . . . 0.0 112.626 -178.119 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.579 HG13 ' HB3' ' A' ' 39' ' ' ARG . 86.2 t -78.18 126.53 38.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.202 -0.908 . . . . 0.0 111.088 -179.657 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.435 ' HB3' ' O ' ' A' ' 39' ' ' ARG . 0.1 OUTLIER -75.54 137.75 41.06 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.442 179.742 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 61.6 mt -98.67 -38.71 7.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.507 179.447 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.65 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 46.2 t30 -144.63 157.25 44.29 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.394 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.482 ' O ' HG23 ' A' ' 21' ' ' VAL . 58.7 tttm -63.82 -33.56 75.96 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 -178.62 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.734 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 88.4 tttt -51.39 -57.58 13.73 Favored Pre-proline 0 N--CA 1.472 0.637 0 N-CA-C 112.2 0.444 . . . . 0.0 112.2 -178.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.734 ' HD3' ' HB3' ' A' ' 18' ' ' LYS . 72.3 Cg_exo -52.33 -40.51 70.35 Favored 'Trans proline' 0 C--N 1.359 1.093 0 C-N-CA 122.335 2.023 . . . . 0.0 111.984 179.297 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 46.0 t -62.94 -49.45 74.7 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.363 179.557 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 17' ' ' LYS . 89.2 t -57.9 -38.48 66.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.769 179.281 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.74 -46.32 88.61 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.84 0.352 . . . . 0.0 110.441 179.269 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.628 ' HA ' ' HE2' ' A' ' 26' ' ' LYS . 4.6 t -62.07 -44.52 96.51 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.636 0.732 . . . . 0.0 109.772 179.174 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 71.2 m -66.17 -42.3 89.13 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.17 -0.923 . . . . 0.0 112.004 -179.647 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -62.23 -45.76 91.88 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.824 -0.171 . . . . 0.0 111.012 -179.366 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.628 ' HE2' ' HA ' ' A' ' 23' ' ' CYS . 52.9 pttt -66.64 -29.04 68.97 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.87 0.367 . . . . 0.0 110.228 178.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -80.66 7.39 10.27 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.508 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.9 ttpt 72.72 36.08 0.99 Allowed 'General case' 0 CA--C 1.54 0.595 0 CA-C-O 121.369 0.604 . . . . 0.0 111.886 178.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 42.5 m-85 -113.46 146.63 39.26 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 177.783 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -71.77 -43.73 65.23 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 112.67 0.619 . . . . 0.0 112.67 -178.132 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -132.71 163.73 28.34 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.26 0.553 . . . . 0.0 111.589 -178.31 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -145.07 127.36 2.85 Favored Glycine 0 N--CA 1.44 -1.057 0 N-CA-C 109.97 -1.252 . . . . 0.0 109.97 178.129 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 33.1 p-80 -135.47 132.23 37.11 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.162 0.506 . . . . 0.0 110.968 -178.651 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 36.0 m -74.1 129.54 38.05 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.839 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.749 ' HB2' HD13 ' A' ' 42' ' ' LEU . 28.3 t -66.28 166.25 12.47 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.373 -179.376 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -88.82 -24.82 22.48 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.575 179.672 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.413 ' H ' HG13 ' A' ' 37' ' ' ILE . 9.2 mt -69.98 -104.5 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.535 -178.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.426 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 22.3 tp -79.05 13.34 1.82 Allowed 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 121.461 0.648 . . . . 0.0 110.775 -179.658 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.579 ' HB3' HG13 ' A' ' 13' ' ' VAL . 21.9 tpt180 59.44 29.11 18.63 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.012 -0.994 . . . . 0.0 110.688 179.682 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.646 ' HD3' ' OE1' ' A' ' 6' ' ' GLU . 44.3 mtt-85 -71.72 146.77 47.96 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.866 179.557 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.578 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 35.9 t -78.57 108.1 11.72 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -178.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.749 HD13 ' HB2' ' A' ' 35' ' ' SER . 9.8 mp -93.55 122.18 35.72 Favored 'General case' 0 CA--C 1.52 -0.178 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 178.28 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.6 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 82.1 m -97.16 129.35 44.54 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.661 -179.24 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.603 HG23 ' HB3' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -110.65 146.27 36.49 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.513 179.227 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.5 169.39 21.91 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.081 0.467 . . . . 0.0 110.806 179.606 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.419 ' H ' ' CD ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -79.64 152.47 29.98 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.68 177.648 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 24.5 p . . . . . 0 C--O 1.252 1.223 0 CA-C-O 117.421 -1.276 . . . . 0.0 109.042 179.847 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.11 0 CA-C-O 120.642 0.258 . . . . 0.0 110.395 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.0 m -99.4 111.73 24.04 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 179.349 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.423 ' O ' ' HA ' ' A' ' 44' ' ' THR . 29.5 m -89.98 132.84 35.14 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.016 0.436 . . . . 0.0 111.217 -179.373 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.545 ' HD2' ' N ' ' A' ' 5' ' ' ALA . 0.4 OUTLIER -122.2 131.27 53.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.738 -179.666 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.545 ' N ' ' HD2' ' A' ' 4' ' ' LYS . . . -160.77 134.52 6.88 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 178.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.537 ' OE2' ' HG ' ' A' ' 42' ' ' LEU . 10.0 mp0 -65.52 139.78 58.51 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 -179.62 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 36.8 t -52.85 124.67 36.75 Favored Pre-proline 0 C--N 1.323 -0.554 0 O-C-N 123.511 0.507 . . . . 0.0 110.216 -179.306 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -54.77 -42.78 65.41 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.947 2.432 . . . . 0.0 112.35 -178.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 23.0 p -91.14 46.32 1.31 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.722 179.368 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 37.4 t-105 -142.59 121.56 12.82 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.13 0.491 . . . . 0.0 111.141 -179.589 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -150.63 57.27 0.93 Allowed 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 178.729 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 46.1 m -151.23 176.7 10.96 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.542 -178.716 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.477 HG13 ' HG2' ' A' ' 39' ' ' ARG . 76.0 t -78.65 117.07 23.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.409 -179.44 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.717 ' SG ' ' HB2' ' A' ' 20' ' ' CYS . 10.9 t -89.36 116.54 27.63 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.817 -0.628 . . . . 0.0 109.465 179.325 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 63.7 mt -113.83 -52.56 5.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 121.053 0.454 . . . . 0.0 110.318 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.547 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 51.2 t30 -91.23 143.69 26.39 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.437 179.666 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.53 ' O ' HG23 ' A' ' 21' ' ' VAL . 25.1 tptp -61.47 -42.47 98.83 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.693 -0.685 . . . . 0.0 112.445 -178.832 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.638 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 88.6 tttt -51.23 -55.5 28.05 Favored Pre-proline 0 CA--C 1.542 0.662 0 N-CA-C 113.625 0.972 . . . . 0.0 113.625 -178.055 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.638 ' HD3' ' HB3' ' A' ' 18' ' ' LYS . 92.4 Cg_exo -49.15 -45.48 29.43 Favored 'Trans proline' 0 C--N 1.357 0.99 0 C-N-CA 122.469 2.112 . . . . 0.0 112.766 -179.696 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.717 ' HB2' ' SG ' ' A' ' 14' ' ' CYS . 21.2 t -65.65 -49.24 69.36 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.718 -0.673 . . . . 0.0 110.648 -179.835 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.53 HG23 ' O ' ' A' ' 17' ' ' LYS . 65.1 t -57.07 -39.05 63.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.692 179.386 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.513 ' O ' ' HG2' ' A' ' 26' ' ' LYS . . . -62.98 -49.56 74.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.538 179.386 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.543 ' O ' ' HG3' ' A' ' 26' ' ' LYS . 4.9 t -60.6 -44.43 96.29 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-O 121.505 0.669 . . . . 0.0 109.896 179.335 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.565 ' SG ' ' HA3' ' A' ' 32' ' ' GLY . 83.3 m -66.6 -37.93 85.92 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.865 -179.84 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.426 ' HD3' ' HA ' ' A' ' 25' ' ' LYS . 0.1 OUTLIER -64.42 -45.4 87.71 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 121.221 -0.192 . . . . 0.0 110.835 -179.239 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.543 ' HG3' ' O ' ' A' ' 23' ' ' CYS . 13.4 ptmt -67.11 -30.39 70.4 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 121.063 0.459 . . . . 0.0 109.763 178.151 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.26 -6.29 47.03 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.844 179.058 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.613 ' HB2' ' NZ ' ' A' ' 28' ' ' LYS . 1.6 ttmp? 78.93 36.02 0.18 Allowed 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 123.902 0.881 . . . . 0.0 111.718 179.21 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.431 ' CG ' ' HB3' ' A' ' 43' ' ' CYS . 25.1 m-85 -109.28 149.04 30.04 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 178.231 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 23.7 t -61.18 -48.51 81.2 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.076 0.399 . . . . 0.0 112.076 -178.454 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -156.11 153.56 29.54 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.794 0.331 . . . . 0.0 111.52 -179.119 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.565 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -121.51 144.38 16.49 Favored Glycine 0 N--CA 1.447 -0.623 0 CA-C-N 115.753 -0.658 . . . . 0.0 112.211 179.723 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 24.0 p-80 -135.64 133.67 38.43 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.762 0.315 . . . . 0.0 110.734 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.416 ' HB3' ' HB3' ' A' ' 14' ' ' CYS . 43.2 m -66.79 132.9 49.03 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.323 -179.632 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.833 ' HB2' HD13 ' A' ' 42' ' ' LEU . 37.3 t -77.02 156.13 32.06 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.572 179.583 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 48.7 tttm -88.07 -25.86 22.84 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.305 179.207 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.412 ' HB ' ' H ' ' A' ' 38' ' ' LEU . 10.3 mt -68.85 -102.16 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.06 -179.267 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.412 ' H ' ' HB ' ' A' ' 37' ' ' ILE . 21.4 tp -82.98 13.81 3.73 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.46 0.647 . . . . 0.0 110.723 -179.742 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.562 ' HA ' ' O ' ' A' ' 35' ' ' SER . 0.2 OUTLIER 58.26 29.06 17.5 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.048 -0.978 . . . . 0.0 111.911 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 80.2 mtt-85 -72.85 150.57 42.56 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.985 -0.286 . . . . 0.0 110.446 178.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.445 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 26.0 t -80.72 106.31 12.63 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.559 -0.291 . . . . 0.0 110.308 179.75 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.833 HD13 ' HB2' ' A' ' 35' ' ' SER . 10.7 mp -87.21 119.57 27.59 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.119 179.668 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.431 ' HB3' ' CG ' ' A' ' 29' ' ' PHE . 82.6 m -98.69 135.72 39.78 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-O 120.928 0.394 . . . . 0.0 110.428 179.703 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.423 ' HA ' ' O ' ' A' ' 3' ' ' CYS . 0.5 OUTLIER -123.17 141.04 52.39 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.23 179.579 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.818 ' HB2' ' HZ2' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -155.83 173.62 16.49 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.629 0.728 . . . . 0.0 111.143 -179.335 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 11.0 pm0 -78.35 147.25 34.25 Favored 'General case' 0 C--N 1.31 -1.14 0 CA-C-N 113.906 -1.497 . . . . 0.0 110.878 -179.5 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 30.0 p . . . . . 0 C--O 1.254 1.316 0 CA-C-O 117.731 -1.128 . . . . 0.0 108.422 179.583 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.453 ' O ' ' HA ' ' A' ' 46' ' ' GLU . . . . . . . . 0 N--CA 1.479 0.982 0 CA-C-O 121.127 0.489 . . . . 0.0 110.316 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.0 m -95.51 87.66 4.82 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.977 -179.757 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 58.2 m -90.07 133.46 34.83 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.734 -0.667 . . . . 0.0 111.589 -178.42 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.541 ' HD2' ' N ' ' A' ' 5' ' ' ALA . 0.5 OUTLIER -134.93 131.02 36.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.885 -179.461 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.541 ' N ' ' HD2' ' A' ' 4' ' ' LYS . . . -156.88 141.61 16.89 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.427 179.314 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -64.75 139.53 58.77 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.452 ' HB2' ' SG ' ' A' ' 43' ' ' CYS . 34.6 t -57.13 123.16 58.66 Favored Pre-proline 0 C--N 1.322 -0.603 0 O-C-N 123.253 0.346 . . . . 0.0 110.313 -179.5 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -58.39 -41.77 62.35 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.831 2.354 . . . . 0.0 111.904 -179.395 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 40.8 p -87.19 46.27 1.36 Allowed 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.543 179.396 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 50.6 t-105 -144.43 124.54 13.65 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.672 -178.834 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -150.31 60.06 0.96 Allowed 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 179.208 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 57.7 m -160.45 162.51 33.2 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.349 -178.626 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.751 HG13 ' HB3' ' A' ' 39' ' ' ARG . 95.2 t -78.93 127.35 39.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 178.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.423 ' HB3' ' HG3' ' A' ' 39' ' ' ARG . 5.3 t -68.55 135.19 51.16 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.258 0.551 . . . . 0.0 112.082 -178.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 51.2 mm -105.01 -40.08 5.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.676 178.822 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.641 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 20.5 t-20 -140.69 156.02 46.33 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.467 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.489 ' O ' HG23 ' A' ' 21' ' ' VAL . 57.8 tttm -63.71 -34.56 78.13 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 111.97 0.359 . . . . 0.0 111.97 -179.14 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.708 ' HB2' ' HD3' ' A' ' 19' ' ' PRO . 57.9 mtpt -50.27 -57.97 11.21 Favored Pre-proline 0 N--CA 1.472 0.642 0 N-CA-C 112.252 0.464 . . . . 0.0 112.252 -179.16 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.708 ' HD3' ' HB2' ' A' ' 18' ' ' LYS . 81.3 Cg_exo -50.55 -41.13 53.93 Favored 'Trans proline' 0 C--N 1.359 1.091 0 C-N-CA 122.392 2.061 . . . . 0.0 112.177 179.222 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 47.8 t -64.46 -50.09 68.88 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.627 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.489 HG23 ' O ' ' A' ' 17' ' ' LYS . 60.7 t -58.15 -41.2 80.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.47 179.326 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.04 -42.92 99.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.13 0.491 . . . . 0.0 110.169 179.242 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.713 ' HA ' ' HZ2' ' A' ' 26' ' ' LYS . 8.0 t -63.56 -51.57 64.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.647 179.045 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.52 ' SG ' ' HA3' ' A' ' 32' ' ' GLY . 84.3 m -60.5 -39.95 89.6 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.114 -0.948 . . . . 0.0 111.759 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.92 -40.36 96.29 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.738 -179.493 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.713 ' HZ2' ' HA ' ' A' ' 23' ' ' CYS . 6.1 ptpp? -68.34 -29.32 68.03 Favored 'General case' 0 CA--C 1.529 0.166 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 178.883 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -82.81 7.81 14.11 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.096 179.414 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 75.1 tttt 67.7 36.12 3.74 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 115.569 -0.741 . . . . 0.0 112.303 179.081 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -104.21 146.58 28.57 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.257 -0.645 . . . . 0.0 109.257 177.659 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.2 m -57.96 -49.28 77.33 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.254 -0.43 . . . . 0.0 112.114 -178.461 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -157.98 150.42 22.39 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.882 0.372 . . . . 0.0 111.24 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.52 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -113.06 141.39 16.89 Favored Glycine 0 N--CA 1.445 -0.711 0 CA-C-N 115.852 -0.613 . . . . 0.0 112.657 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 10.1 p80 -133.62 129.23 36.64 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.202 0.525 . . . . 0.0 110.22 179.292 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 61.8 m -75.04 142.27 43.8 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.895 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.425 ' HB3' ' CD1' ' A' ' 42' ' ' LEU . 5.6 p -79.39 -157.03 0.12 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.811 0.339 . . . . 0.0 110.701 179.651 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.403 ' H ' ' HB2' ' A' ' 35' ' ' SER . 40.9 ttmt -129.02 -46.75 1.23 Allowed 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 111.891 0.33 . . . . 0.0 111.891 -179.809 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 62.7 mt -61.3 -66.85 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 CA-C-O 120.738 0.304 . . . . 0.0 111.754 -178.812 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.568 ' HB3' ' HG2' ' A' ' 40' ' ' ARG . 28.6 tp -91.78 -12.49 33.67 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.362 0.601 . . . . 0.0 109.779 179.82 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.751 ' HB3' HG13 ' A' ' 13' ' ' VAL . 8.2 tpt180 61.08 32.75 19.72 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 114.949 -1.023 . . . . 0.0 110.982 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.568 ' HG2' ' HB3' ' A' ' 38' ' ' LEU . 10.7 ptt85 -83.08 163.23 21.04 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.791 178.321 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 40.3 t -85.2 107.21 17.15 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 -178.482 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.427 ' HB3' ' HD3' ' A' ' 4' ' ' LYS . 10.0 mp -89.98 119.86 30.7 Favored 'General case' 0 C--N 1.334 -0.1 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 177.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.507 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 86.3 m -96.53 136.77 36.58 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-O 120.888 0.375 . . . . 0.0 110.956 -179.814 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -123.05 137.79 54.85 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.436 179.241 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 14.4 pttp -162.37 164.14 27.47 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.939 179.506 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.453 ' HA ' ' O ' ' A' ' 1' ' ' ALA . 0.8 OUTLIER -80.67 136.4 36.19 Favored 'General case' 0 C--N 1.313 -0.978 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.872 179.153 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.244 0.766 0 CA-C-O 118.671 -0.681 . . . . 0.0 109.258 178.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 12.5 m . . . . . 0 N--CA 1.455 -0.189 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 59.2 m -121.89 138.16 54.51 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.813 0.34 . . . . 0.0 111.167 -179.314 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.745 ' HD2' HD23 ' A' ' 42' ' ' LEU . 12.0 ttpp -131.11 139.47 49.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.674 -179.684 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -158.53 129.71 6.39 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 178.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.643 ' OE1' ' HG ' ' A' ' 42' ' ' LEU . 0.1 OUTLIER -69.26 141.72 54.32 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 -178.452 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.774 ' SG ' ' HB2' ' A' ' 10' ' ' TRP . 0.7 OUTLIER -46.4 122.52 6.73 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.177 0.923 . . . . 0.0 110.199 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -54.4 -45.09 43.62 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.988 2.458 . . . . 0.0 112.404 -178.359 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.9 p -89.52 44.5 1.21 Allowed 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.411 179.063 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . 0.774 ' HB2' ' SG ' ' A' ' 7' ' ' CYS . 23.5 t-105 -136.98 115.54 11.98 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-O 121.058 0.456 . . . . 0.0 111.236 -178.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -150.36 51.44 0.89 Allowed 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.905 0.86 . . . . 0.0 108.806 178.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.4 m -154.0 172.96 16.63 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.136 -0.938 . . . . 0.0 110.077 -179.049 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 85.7 t -78.57 122.86 34.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.133 -179.457 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.564 ' HB3' ' HG3' ' A' ' 39' ' ' ARG . 0.7 OUTLIER -74.24 128.06 34.57 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.806 -0.633 . . . . 0.0 111.025 179.372 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 62.3 mt -98.42 -35.6 5.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.457 179.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.613 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 18.6 t-20 -139.53 152.42 46.9 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.151 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.564 ' O ' HG23 ' A' ' 21' ' ' VAL . 57.6 tttm -64.34 -36.19 83.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.257 -0.429 . . . . 0.0 112.05 -178.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.653 ' HB2' ' HD3' ' A' ' 19' ' ' PRO . 55.5 mtmt -48.69 -56.82 13.08 Favored Pre-proline 0 N--CA 1.472 0.639 0 N-CA-C 112.748 0.647 . . . . 0.0 112.748 -178.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.653 ' HD3' ' HB2' ' A' ' 18' ' ' LYS . 91.9 Cg_exo -49.07 -45.47 29.2 Favored 'Trans proline' 0 C--N 1.358 1.058 0 C-N-CA 122.455 2.103 . . . . 0.0 112.087 179.307 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 43.5 t -63.5 -51.83 63.88 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.12 -0.945 . . . . 0.0 110.68 179.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.564 HG23 ' O ' ' A' ' 17' ' ' LYS . 46.8 t -57.14 -37.68 56.97 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.094 179.298 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.06 -48.14 82.67 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.151 178.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 23.1 t -63.02 -49.55 74.18 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-O 121.187 0.518 . . . . 0.0 110.303 179.021 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.678 ' SG ' ' HA3' ' A' ' 32' ' ' GLY . 85.3 m -56.66 -41.36 77.11 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.445 -179.269 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.444 ' HE2' HG12 ' A' ' 21' ' ' VAL . 54.7 mtmt -63.81 -47.09 82.22 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 121.165 -0.214 . . . . 0.0 110.995 179.413 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.44 ' HB2' ' HE2' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -71.56 -12.33 61.31 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 120.615 -0.434 . . . . 0.0 110.832 179.444 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -95.8 -1.21 50.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.342 179.308 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 34.0 ttpt 72.52 49.46 0.2 Allowed 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.582 179.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -121.45 147.82 45.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.374 -0.83 . . . . 0.0 109.057 178.176 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.548 ' OG ' ' HA ' ' A' ' 45' ' ' LYS . 1.4 m -58.89 -47.7 84.01 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -178.393 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -164.19 151.36 11.81 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.779 0.323 . . . . 0.0 110.785 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.678 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -115.03 141.84 17.28 Favored Glycine 0 N--CA 1.446 -0.658 0 CA-C-N 115.959 -0.564 . . . . 0.0 112.342 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 21.1 p80 -133.35 129.88 38.05 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 121.314 0.578 . . . . 0.0 110.42 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 62.8 m -72.49 133.82 45.0 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.37 -179.279 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.616 ' HB2' HD13 ' A' ' 42' ' ' LEU . 28.6 t -70.74 162.96 28.17 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.595 -0.729 . . . . 0.0 111.063 -179.506 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 37.2 ttmt -89.36 -29.85 18.81 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.397 179.177 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.456 ' HB ' ' H ' ' A' ' 38' ' ' LEU . 8.6 mt -69.45 -100.64 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.816 -178.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.456 ' H ' ' HB ' ' A' ' 37' ' ' ILE . 21.4 tp -75.82 2.42 12.34 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-O 121.231 0.538 . . . . 0.0 111.177 -179.138 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.564 ' HG3' ' HB3' ' A' ' 14' ' ' CYS . 23.5 tpt180 63.49 29.75 15.34 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.165 -0.925 . . . . 0.0 111.43 179.115 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.454 ' NE ' HD23 ' A' ' 38' ' ' LEU . 84.3 mtt-85 -71.48 155.85 40.12 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.656 178.741 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.499 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 13.2 t -85.12 102.73 13.5 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.5 179.33 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.745 HD23 ' HD2' ' A' ' 4' ' ' LYS . 10.1 mp -88.44 114.45 25.07 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 110.177 -0.305 . . . . 0.0 110.177 179.657 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.453 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 78.0 m -92.88 132.74 36.76 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 179.147 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -121.08 143.6 48.99 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.623 -179.776 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.548 ' HA ' ' OG ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -155.42 171.29 20.13 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.394 0.616 . . . . 0.0 111.379 -179.63 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.606 ' CD ' ' H ' ' A' ' 46' ' ' GLU . 0.4 OUTLIER -78.02 148.24 34.45 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 114.479 -1.237 . . . . 0.0 110.753 179.861 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 30.2 p . . . . . 0 C--O 1.244 0.81 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 179.719 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.4 m . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 52.1 m -96.07 129.97 43.22 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.429 -179.174 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.761 ' HD2' HD23 ' A' ' 42' ' ' LEU . 6.5 ttpp -114.4 135.63 53.88 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.147 179.216 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -160.29 132.65 6.29 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 179.129 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.609 ' HG3' HD12 ' A' ' 42' ' ' LEU . 47.7 mp0 -66.72 137.68 56.85 Favored 'General case' 0 N--CA 1.443 -0.814 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 -179.686 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.429 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 31.0 t -51.56 125.59 28.28 Favored Pre-proline 0 C--N 1.322 -0.598 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.503 -178.731 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 7' ' ' CYS . 47.9 Cg_exo -56.47 -43.08 58.86 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.866 2.377 . . . . 0.0 112.406 -178.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 35.9 p -87.82 50.68 2.04 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.815 179.479 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . 0.797 ' HZ2' ' HB2' ' A' ' 14' ' ' CYS . 58.6 t-105 -135.58 115.7 13.32 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.601 -179.577 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 46.9 t0 -150.75 62.97 0.93 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.683 0.754 . . . . 0.0 109.134 179.414 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 56.4 m -158.92 161.94 36.82 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.0 -178.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 60.9 t -77.69 115.46 19.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 179.659 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.797 ' HB2' ' HZ2' ' A' ' 10' ' ' TRP . 15.9 t -86.55 144.53 27.17 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.613 -0.721 . . . . 0.0 112.399 -178.524 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 70.1 mt -130.76 -61.09 0.84 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.425 0 CA-C-N 115.348 -0.842 . . . . 0.0 108.934 178.384 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.451 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 16.9 t-20 -81.12 146.78 30.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.509 -0.769 . . . . 0.0 109.24 178.688 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.61 ' HD2' ' HB3' ' A' ' 34' ' ' CYS . 35.1 mmtt -77.75 -29.02 50.83 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -178.406 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.583 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 28.0 ttpp -51.27 -51.8 65.16 Favored Pre-proline 0 CA--C 1.539 0.557 0 N-CA-C 112.281 0.474 . . . . 0.0 112.281 -179.645 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.583 ' HD3' ' HB3' ' A' ' 18' ' ' LYS . 99.3 Cg_exo -49.5 -43.09 40.22 Favored 'Trans proline' 0 C--N 1.361 1.191 0 C-N-CA 122.56 2.173 . . . . 0.0 112.04 179.183 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 47.1 t -65.34 -51.8 58.12 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.232 -0.895 . . . . 0.0 111.016 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 85.6 t -53.99 -41.21 48.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.766 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.38 -44.15 95.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.978 0.418 . . . . 0.0 110.362 178.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.658 ' HA ' ' HE2' ' A' ' 26' ' ' LYS . 3.0 t -62.44 -44.15 97.11 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.874 179.114 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.778 ' SG ' ' HA3' ' A' ' 32' ' ' GLY . 74.9 m -66.04 -41.06 91.38 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.797 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.619 ' HE3' ' O ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -62.9 -46.4 87.98 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.607 -0.269 . . . . 0.0 111.283 -179.628 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.658 ' HE2' ' HA ' ' A' ' 23' ' ' CYS . 50.6 pttt -67.1 -29.15 68.82 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.197 178.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -78.98 4.48 14.19 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.435 179.507 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.405 ' HE3' ' HB2' ' A' ' 28' ' ' LYS . 33.2 ttmt 68.96 39.37 1.82 Allowed 'General case' 0 C--O 1.238 0.467 0 C-N-CA 123.243 0.617 . . . . 0.0 112.051 178.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -107.31 148.49 28.95 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 177.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.63 ' OG ' ' HA ' ' A' ' 45' ' ' LYS . 1.6 m -55.6 -41.84 73.98 Favored 'General case' 0 C--N 1.329 -0.315 0 O-C-N 123.342 0.401 . . . . 0.0 111.057 -178.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -172.36 170.75 4.93 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 178.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.778 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -141.02 152.93 23.53 Favored Glycine 0 C--N 1.314 -0.664 0 C-N-CA 120.546 -0.835 . . . . 0.0 112.879 -178.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 22.9 p80 -135.67 128.75 31.62 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.864 0.84 . . . . 0.0 110.787 -179.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.61 ' HB3' ' HD2' ' A' ' 17' ' ' LYS . 53.6 t -69.07 126.41 29.71 Favored 'General case' 0 C--N 1.31 -1.111 0 CA-C-N 114.476 -1.238 . . . . 0.0 110.221 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.612 ' HB3' HD13 ' A' ' 42' ' ' LEU . 72.7 p -80.64 149.55 29.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.983 0.42 . . . . 0.0 111.059 -179.615 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -87.9 -27.54 22.11 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.83 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 51.9 mt -64.69 -82.59 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.903 -0.59 . . . . 0.0 112.565 -178.596 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.591 HD23 ' HD3' ' A' ' 40' ' ' ARG . 20.1 tp -93.19 3.32 55.87 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -178.133 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.688 ' HB3' ' H ' ' A' ' 14' ' ' CYS . 11.4 mpt_? 62.95 28.78 16.43 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.445 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.591 ' HD3' HD23 ' A' ' 38' ' ' LEU . 57.9 mtm180 -88.33 151.5 22.57 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 178.736 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.599 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 41.5 t -82.1 100.97 10.09 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.587 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.761 HD23 ' HD2' ' A' ' 4' ' ' LYS . 10.7 mp -86.06 113.0 21.78 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 110.266 -0.272 . . . . 0.0 110.266 179.604 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.439 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 66.3 m -97.04 141.6 29.99 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.429 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.9 p -125.75 139.32 53.62 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.247 179.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.63 ' HA ' ' OG ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -150.62 167.83 26.1 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 120.976 0.417 . . . . 0.0 110.529 -179.948 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.601 ' CD ' ' H ' ' A' ' 46' ' ' GLU . 0.4 OUTLIER -78.26 143.07 37.39 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.694 179.943 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 20.8 p . . . . . 0 C--O 1.242 0.674 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 -179.961 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.3 m . . . . . 0 N--CA 1.456 -0.17 0 N-CA-C 110.086 -0.339 . . . . 0.0 110.086 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 73.1 m -129.06 135.41 48.88 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.022 0.439 . . . . 0.0 111.598 -178.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.8 ' HD2' HD23 ' A' ' 42' ' ' LEU . 6.2 ttpp -139.59 138.46 36.21 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.25 179.63 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -162.39 132.42 4.62 Favored 'General case' 0 C--N 1.315 -0.896 0 N-CA-C 108.809 -0.812 . . . . 0.0 108.809 179.007 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.67 ' HG3' HD12 ' A' ' 42' ' ' LEU . 30.8 mp0 -64.45 138.38 58.38 Favored 'General case' 0 N--CA 1.443 -0.816 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 -179.812 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.425 ' HA ' ' HD2' ' A' ' 8' ' ' PRO . 31.5 t -48.52 122.09 10.2 Favored Pre-proline 0 C--N 1.322 -0.611 0 O-C-N 123.853 0.721 . . . . 0.0 110.417 -178.442 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.425 ' HD2' ' HA ' ' A' ' 7' ' ' CYS . 9.5 Cg_endo -54.07 -34.92 79.77 Favored 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 123.326 2.684 . . . . 0.0 112.251 -178.816 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -98.31 47.26 0.99 Allowed 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.225 178.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . 0.483 ' HZ2' ' HA ' ' A' ' 14' ' ' CYS . 11.7 t-105 -156.99 132.68 9.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.97 -179.599 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -147.63 -20.78 0.37 Allowed 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.867 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.1 m -77.48 179.73 6.31 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.521 -0.763 . . . . 0.0 112.753 -177.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.507 HG13 ' HB2' ' A' ' 39' ' ' ARG . 98.2 t -79.27 132.3 32.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.058 -0.974 . . . . 0.0 111.14 -179.81 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.782 ' H ' ' HB3' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -65.82 132.03 47.73 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.012 179.765 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 53.5 mt -98.53 -27.62 3.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.53 0.681 . . . . 0.0 109.637 179.311 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.57 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 18.3 t-20 -166.99 161.5 15.0 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.46 -0.791 . . . . 0.0 108.959 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.51 ' O ' HG23 ' A' ' 21' ' ' VAL . 54.7 tttm -63.7 -37.37 87.1 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 111.551 0.204 . . . . 0.0 111.551 -178.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.637 ' HB2' ' HD3' ' A' ' 19' ' ' PRO . 38.6 mtmm -51.15 -57.39 14.1 Favored Pre-proline 0 N--CA 1.471 0.584 0 CA-C-O 119.257 -0.401 . . . . 0.0 112.027 -179.48 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.637 ' HD3' ' HB2' ' A' ' 18' ' ' LYS . 90.2 Cg_exo -48.53 -43.91 31.83 Favored 'Trans proline' 0 C--N 1.359 1.103 0 C-N-CA 122.452 2.101 . . . . 0.0 112.023 178.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 48.9 t -64.36 -50.81 66.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.796 179.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.582 ' O ' ' HG2' ' A' ' 25' ' ' LYS . 70.8 t -55.82 -45.0 79.48 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.22 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.589 179.539 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.89 -44.05 91.1 Favored 'General case' 0 C--O 1.24 0.594 0 CA-C-O 121.173 0.511 . . . . 0.0 110.293 179.182 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 4.8 t -60.0 -46.97 87.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.151 178.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.638 ' SG ' ' HA3' ' A' ' 32' ' ' GLY . 78.1 m -66.21 -32.03 73.22 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.098 -0.955 . . . . 0.0 111.514 179.544 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.717 ' HE2' ' HA ' ' A' ' 25' ' ' LYS . 8.7 mmpt? -61.82 -52.06 65.73 Favored 'General case' 0 CA--C 1.518 -0.26 0 N-CA-C 110.182 -0.303 . . . . 0.0 110.182 179.778 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 24.1 pttm -68.96 -25.95 64.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.485 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -78.27 -3.26 41.96 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.925 178.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.421 ' HE3' ' HB2' ' A' ' 28' ' ' LYS . 33.0 ttmt 68.5 56.04 0.48 Allowed 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.639 179.419 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.737 ' HA ' ' HD3' ' A' ' 45' ' ' LYS . 34.1 m-85 -125.05 154.33 41.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.46 178.812 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.749 ' H ' ' HB3' ' A' ' 45' ' ' LYS . 19.9 m -62.84 -50.73 69.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.477 0.18 . . . . 0.0 111.354 -179.218 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -160.71 149.85 16.98 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.532 -0.303 . . . . 0.0 110.57 179.587 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.638 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -114.03 144.23 18.18 Favored Glycine 0 N--CA 1.445 -0.71 0 C-N-CA 121.057 -0.592 . . . . 0.0 112.015 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 24.0 p80 -136.26 129.27 31.27 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 121.316 0.579 . . . . 0.0 110.727 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 37.5 m -70.2 128.83 37.63 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.405 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.646 ' O ' ' HA ' ' A' ' 39' ' ' ARG . 24.1 p -75.5 163.07 27.76 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.857 0.36 . . . . 0.0 110.786 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 39.8 ttpt -89.23 -34.74 16.53 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.011 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 69.6 mt -53.08 -56.94 5.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 112.937 0.717 . . . . 0.0 112.937 -178.509 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.419 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 19.7 tp -138.08 19.5 2.8 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.506 0.669 . . . . 0.0 110.902 -179.027 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.782 ' HB3' ' H ' ' A' ' 14' ' ' CYS . 0.6 OUTLIER 55.62 28.5 12.08 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 114.949 -1.023 . . . . 0.0 112.214 -179.922 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 75.3 mtt-85 -71.37 143.84 50.07 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 178.159 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.503 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 43.5 t -76.76 96.49 4.25 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.372 -179.216 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.8 HD23 ' HD2' ' A' ' 4' ' ' LYS . 10.8 mp -84.4 114.97 22.28 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 179.117 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.458 ' HB3' ' CG ' ' A' ' 29' ' ' PHE . 81.7 m -92.81 133.59 35.9 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 179.361 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.421 HG23 ' HG3' ' A' ' 4' ' ' LYS . 0.8 OUTLIER -123.78 140.23 53.19 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.279 0.562 . . . . 0.0 111.954 -179.065 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.749 ' HB3' ' H ' ' A' ' 30' ' ' SER . 61.3 pttt -161.52 -156.23 0.43 Allowed 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.118 -0.946 . . . . 0.0 108.675 178.706 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -129.46 143.48 50.85 Favored 'General case' 0 N--CA 1.444 -0.742 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 178.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 15.6 p . . . . . 0 C--O 1.245 0.851 0 CA-C-O 118.849 -0.596 . . . . 0.0 109.817 -179.215 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 17.9 m . . . . . 0 N--CA 1.453 -0.32 0 CA-C-O 121.093 0.473 . . . . 0.0 110.103 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 64.7 m -95.27 139.41 31.62 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.814 -179.261 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.602 ' HG3' HG23 ' A' ' 44' ' ' THR . 31.5 ttmt -132.6 132.19 42.24 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.5 -179.18 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -167.08 145.2 4.92 Favored 'General case' 0 C--N 1.322 -0.619 0 O-C-N 123.756 0.66 . . . . 0.0 109.226 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.47 ' HA ' ' O ' ' A' ' 41' ' ' CYS . 2.3 mp0 -64.08 146.4 54.25 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 -179.817 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 31.6 t -59.65 126.62 83.29 Favored Pre-proline 0 C--N 1.321 -0.669 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.062 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -54.17 -38.6 87.85 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 123.061 2.507 . . . . 0.0 112.229 -179.18 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 22.7 p -97.36 44.1 1.06 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.098 179.621 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . 0.643 ' HH2' ' HB2' ' A' ' 19' ' ' PRO . 25.1 t-105 -146.41 116.36 7.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.008 0.432 . . . . 0.0 111.451 -179.576 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -151.11 67.76 0.92 Allowed 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.912 0.863 . . . . 0.0 108.753 177.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 48.8 m -156.78 168.98 25.81 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 114.988 -1.005 . . . . 0.0 109.607 -178.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 58.0 t -77.92 126.07 37.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.08 0.467 . . . . 0.0 110.714 -179.627 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -74.42 133.39 42.42 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.78 -179.696 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 47.5 mm -100.71 -38.29 6.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.435 178.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.719 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 20.3 t-20 -144.67 160.72 40.74 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 179.128 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.591 ' HE3' ' CG2' ' A' ' 21' ' ' VAL . 8.5 ttpt -72.73 -30.18 63.96 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.44 0.533 . . . . 0.0 112.44 -178.588 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.729 ' CG ' ' HD3' ' A' ' 19' ' ' PRO . 14.4 ptmm? -53.19 -45.73 98.16 Favored Pre-proline 0 CA--C 1.548 0.869 0 N-CA-C 113.385 0.883 . . . . 0.0 113.385 -178.408 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.729 ' HD3' ' CG ' ' A' ' 18' ' ' LYS . 49.4 Cg_exo -58.96 -40.62 69.71 Favored 'Trans proline' 0 C--N 1.362 1.253 0 C-N-CA 121.746 1.631 . . . . 0.0 111.071 178.53 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.3 t -62.25 -48.65 79.02 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 114.942 -1.026 . . . . 0.0 109.974 179.371 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.591 ' CG2' ' HE3' ' A' ' 17' ' ' LYS . 61.1 t -57.58 -38.03 61.77 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.148 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.885 179.13 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.52 ' O ' ' HG2' ' A' ' 26' ' ' LYS . . . -63.04 -48.58 78.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.217 179.382 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.593 ' O ' ' HG3' ' A' ' 26' ' ' LYS . 5.9 t -60.29 -45.58 92.87 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 121.551 0.691 . . . . 0.0 109.538 178.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.565 ' SG ' ' HA3' ' A' ' 32' ' ' GLY . 71.8 m -64.88 -38.4 90.83 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.222 -0.899 . . . . 0.0 111.659 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -63.81 -46.52 84.75 Favored 'General case' 0 C--N 1.329 -0.319 0 O-C-N 122.477 -0.14 . . . . 0.0 111.059 -179.301 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.593 ' HG3' ' O ' ' A' ' 23' ' ' CYS . 10.4 ptmt -66.92 -27.83 67.81 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 120.816 0.341 . . . . 0.0 110.267 178.731 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -84.58 10.42 11.1 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-O 121.039 0.447 . . . . 0.0 110.674 179.059 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 29.3 tptt 64.29 61.96 0.86 Allowed 'General case' 0 CA--C 1.537 0.46 0 CA-C-O 122.172 0.987 . . . . 0.0 111.533 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.742 ' HA ' ' HB3' ' A' ' 45' ' ' LYS . 70.3 m-85 -132.39 147.56 52.39 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 177.747 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.434 ' OG ' ' HA ' ' A' ' 45' ' ' LYS . 4.3 m -64.45 -48.75 74.11 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 111.971 0.36 . . . . 0.0 111.971 -178.31 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -160.48 139.54 10.57 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.473 -178.611 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.565 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -105.62 141.74 15.43 Favored Glycine 0 N--CA 1.447 -0.628 0 CA-C-N 115.587 -0.733 . . . . 0.0 112.363 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 19.8 p-80 -125.61 131.26 52.72 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 120.933 0.397 . . . . 0.0 110.504 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 87.1 m -67.07 139.43 57.57 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.35 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.788 ' O ' ' HA ' ' A' ' 39' ' ' ARG . 34.6 t -72.69 148.74 44.45 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.487 179.372 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -89.46 -38.4 14.08 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.756 0.312 . . . . 0.0 110.961 -179.72 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 48.9 mt -67.62 -72.19 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.022 -0.535 . . . . 0.0 112.376 -178.686 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 18.1 tp -86.96 -9.85 54.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.153 0.501 . . . . 0.0 110.947 -178.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.788 ' HA ' ' O ' ' A' ' 35' ' ' SER . 10.8 tpt180 64.82 33.34 10.25 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.144 -0.934 . . . . 0.0 111.558 179.756 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.566 ' H ' ' HB3' ' A' ' 35' ' ' SER . 57.8 mtm180 -83.79 -145.54 0.08 Allowed 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.205 178.123 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.47 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 8.9 t -137.71 114.33 10.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.828 0.347 . . . . 0.0 111.202 -179.795 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.47 HD13 ' HB2' ' A' ' 35' ' ' SER . 10.2 mp -101.41 125.15 48.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.733 179.281 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.52 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 59.4 m -99.75 137.49 38.15 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-O 120.821 0.343 . . . . 0.0 111.825 -178.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.602 HG23 ' HG3' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -123.34 143.58 50.0 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.008 178.835 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.742 ' HB3' ' HA ' ' A' ' 29' ' ' PHE . 1.0 OUTLIER -160.61 178.32 9.62 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.618 0.723 . . . . 0.0 112.023 -179.888 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.467 ' OE1' ' HB2' ' A' ' 45' ' ' LYS . 5.0 pm0 -79.28 140.64 37.54 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 113.962 -1.472 . . . . 0.0 111.263 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 31.5 p . . . . . 0 C--O 1.242 0.684 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 178.927 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 16.9 m . . . . . 0 N--CA 1.454 -0.245 0 N-CA-C 110.275 -0.269 . . . . 0.0 110.275 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 16.8 m -103.88 132.83 49.75 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.583 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.566 ' HD3' ' HG ' ' A' ' 42' ' ' LEU . 0.4 OUTLIER -133.29 132.31 41.23 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 -179.694 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.561 ' N ' ' HD2' ' A' ' 4' ' ' LYS . . . -161.57 135.75 6.88 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 179.187 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.561 ' HG3' HD12 ' A' ' 42' ' ' LEU . 8.9 mp0 -69.07 145.43 53.46 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 -179.821 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.771 ' SG ' ' HB2' ' A' ' 10' ' ' TRP . 0.5 OUTLIER -48.6 124.24 11.93 Favored Pre-proline 0 C--N 1.322 -0.622 0 O-C-N 123.841 0.713 . . . . 0.0 110.336 179.674 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_endo -55.35 -43.89 54.09 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.908 2.405 . . . . 0.0 111.962 -178.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.1 p -91.97 48.56 1.44 Allowed 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.225 178.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . 0.771 ' HB2' ' SG ' ' A' ' 7' ' ' CYS . 17.5 t-105 -137.69 116.74 12.49 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 121.308 0.575 . . . . 0.0 111.569 -178.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 47.9 p-10 -132.03 -4.18 3.54 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.134 179.497 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.6 t -100.6 -169.21 1.68 Allowed 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.79 -178.557 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 86.5 t -88.47 128.4 40.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.338 -0.846 . . . . 0.0 111.495 -179.464 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.475 ' HA ' ' HZ2' ' A' ' 10' ' ' TRP . 35.5 t -81.63 103.22 11.19 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 178.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 62.8 mt -98.4 -53.83 7.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-O 120.876 0.37 . . . . 0.0 110.705 -178.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.529 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 14.7 t-20 -101.7 144.74 30.03 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.075 179.795 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.439 ' O ' HG23 ' A' ' 21' ' ' VAL . 64.6 tttp -67.14 -33.6 75.79 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.809 -179.538 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.699 ' HB2' ' HD3' ' A' ' 19' ' ' PRO . 35.1 mmtp -52.52 -57.33 16.1 Favored Pre-proline 0 CA--C 1.539 0.525 0 N-CA-C 112.429 0.529 . . . . 0.0 112.429 -179.234 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.699 ' HD3' ' HB2' ' A' ' 18' ' ' LYS . 82.7 Cg_exo -51.32 -44.15 44.93 Favored 'Trans proline' 0 C--N 1.357 0.992 0 C-N-CA 122.533 2.156 . . . . 0.0 112.296 179.505 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 37.0 t -63.96 -52.41 59.79 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.711 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.451 HG12 ' HE3' ' A' ' 25' ' ' LYS . 92.7 t -57.52 -37.02 55.87 Favored 'Isoleucine or valine' 0 C--O 1.232 0.184 0 CA-C-O 120.809 0.338 . . . . 0.0 110.457 179.28 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.02 -44.73 96.98 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.156 178.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.627 ' O ' ' HG3' ' A' ' 26' ' ' LYS . 14.1 t -67.95 -43.96 77.9 Favored 'General case' 0 CA--C 1.514 -0.419 0 CA-C-O 121.469 0.652 . . . . 0.0 110.285 178.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.505 ' SG ' ' HA3' ' A' ' 32' ' ' GLY . 75.2 m -59.64 -44.29 93.56 Favored 'General case' 0 C--N 1.311 -1.07 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.415 -179.164 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.451 ' HE3' HG12 ' A' ' 21' ' ' VAL . 17.9 ptpt -66.52 -38.39 87.09 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.52 -0.472 . . . . 0.0 111.287 179.729 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.627 ' HG3' ' O ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -69.2 -22.19 63.9 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 120.336 -0.546 . . . . 0.0 110.285 178.937 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -96.79 9.65 41.15 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 121.183 0.516 . . . . 0.0 110.547 179.092 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 78.1 tttt 64.68 54.26 1.43 Allowed 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 115.302 -0.863 . . . . 0.0 112.345 179.294 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.752 ' HA ' ' HD3' ' A' ' 45' ' ' LYS . 35.3 m-85 -122.23 146.74 46.98 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 177.716 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.667 ' H ' ' HB3' ' A' ' 45' ' ' LYS . 6.3 m -63.95 -45.7 88.01 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 112.977 0.732 . . . . 0.0 112.977 -178.054 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -154.82 153.42 31.14 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.893 0.377 . . . . 0.0 111.854 -179.241 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.505 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -119.63 142.04 16.05 Favored Glycine 0 N--CA 1.447 -0.621 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.862 179.382 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 30.8 p80 -144.86 137.42 26.29 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.031 0.443 . . . . 0.0 111.277 -179.283 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 27.3 m -69.91 137.07 51.28 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.826 179.317 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.621 ' HB3' HD13 ' A' ' 42' ' ' LEU . 13.0 p -82.38 171.26 14.39 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.973 0.416 . . . . 0.0 111.292 -179.713 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -89.36 -31.32 17.83 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.43 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.499 ' HB ' ' H ' ' A' ' 38' ' ' LEU . 3.5 mt -67.72 -105.88 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 CA-C-O 121.25 0.548 . . . . 0.0 112.172 -178.347 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.499 ' H ' ' HB ' ' A' ' 37' ' ' ILE . 22.8 tp -73.0 4.03 4.71 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.223 -179.033 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.521 ' HD2' ' O ' ' A' ' 35' ' ' SER . 20.6 tpt180 62.37 32.64 16.82 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.191 -0.913 . . . . 0.0 110.695 179.818 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 68.9 mtt-85 -75.59 153.63 37.22 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.719 178.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.475 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 3.8 t -78.25 107.53 10.91 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 178.578 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.621 HD13 ' HB3' ' A' ' 35' ' ' SER . 9.8 mp -94.42 121.16 35.67 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.651 -0.249 . . . . 0.0 110.991 -179.824 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 72.7 m -96.13 134.42 39.22 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 178.345 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -129.02 141.72 51.14 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 120.967 0.413 . . . . 0.0 111.614 -178.781 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.752 ' HD3' ' HA ' ' A' ' 29' ' ' PHE . 59.9 pttt -160.72 157.26 26.67 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.715 179.459 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.6 pm0 -77.62 146.49 36.13 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-O 121.015 0.436 . . . . 0.0 110.555 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 28.1 p . . . . . 0 C--O 1.252 1.218 0 CA-C-O 117.581 -1.199 . . . . 0.0 109.212 -179.638 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 11.4 m . . . . . 0 N--CA 1.455 -0.222 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.432 ' O ' ' HA ' ' A' ' 44' ' ' THR . 34.6 m -116.87 132.97 56.56 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.019 0.438 . . . . 0.0 111.784 -178.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.545 ' HD2' ' N ' ' A' ' 5' ' ' ALA . 0.4 OUTLIER -113.29 128.35 56.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.518 -0.764 . . . . 0.0 109.607 179.611 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.545 ' N ' ' HD2' ' A' ' 4' ' ' LYS . . . -158.49 125.98 5.04 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 178.628 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.472 ' HG2' ' CD ' ' A' ' 40' ' ' ARG . 52.2 mp0 -63.25 143.44 57.79 Favored 'General case' 0 N--CA 1.446 -0.632 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 -179.656 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 35.8 t -51.89 128.08 36.35 Favored Pre-proline 0 C--N 1.324 -0.543 0 O-C-N 123.545 0.528 . . . . 0.0 110.54 -178.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_exo -52.47 -42.56 60.57 Favored 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 123.025 2.483 . . . . 0.0 112.413 -178.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 40.6 p -92.09 49.74 1.57 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.135 179.014 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 7.5 t-105 -154.28 135.98 14.41 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.478 -179.259 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -150.11 -29.84 0.22 Allowed 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.464 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 18.3 m -71.99 174.28 7.25 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.202 -0.908 . . . . 0.0 113.061 -177.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.468 HG13 ' HB3' ' A' ' 39' ' ' ARG . 69.0 t -78.1 130.23 36.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 114.868 -1.06 . . . . 0.0 110.91 -179.775 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -84.86 135.58 34.02 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.602 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.6 mp -99.82 -50.94 10.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.058 178.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.633 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 27.3 t30 -122.44 151.2 41.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.112 -179.452 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.463 ' HZ1' ' CG ' ' A' ' 31' ' ' ASP . 63.0 tttp -63.21 -33.91 76.52 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 -178.813 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.571 ' HB2' ' HD3' ' A' ' 19' ' ' PRO . 42.5 mmtm -50.52 -57.73 12.23 Favored Pre-proline 0 N--CA 1.474 0.732 0 N-CA-C 112.44 0.533 . . . . 0.0 112.44 -179.035 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.633 ' HD2' ' O ' ' A' ' 16' ' ' ASN . 85.8 Cg_exo -51.14 -42.3 53.95 Favored 'Trans proline' 0 C--N 1.358 1.026 0 C-N-CA 122.421 2.081 . . . . 0.0 112.136 179.225 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.7 t -62.81 -52.24 63.92 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.786 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 90.3 t -56.45 -41.43 72.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.836 179.619 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.46 -44.88 95.42 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 120.99 0.424 . . . . 0.0 110.539 179.327 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.642 ' HA ' ' HE2' ' A' ' 26' ' ' LYS . 2.9 t -63.44 -44.86 93.31 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 121.555 0.693 . . . . 0.0 109.791 179.16 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.485 ' HB3' ' HB2' ' A' ' 29' ' ' PHE . 79.0 m -65.44 -39.76 92.45 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.751 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.493 ' HD3' ' HA ' ' A' ' 25' ' ' LYS . 24.3 mmtp -64.92 -44.14 90.48 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 111.523 0.194 . . . . 0.0 111.523 -179.603 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.642 ' HE2' ' HA ' ' A' ' 23' ' ' CYS . 62.0 pttt -66.38 -31.43 72.19 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.605 -0.438 . . . . 0.0 110.173 179.213 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -84.94 4.79 31.9 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-O 120.899 0.381 . . . . 0.0 111.234 179.477 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.513 ' O ' ' HD3' ' A' ' 45' ' ' LYS . 7.8 tmtt? 66.55 70.84 0.4 Allowed 'General case' 0 C--O 1.233 0.201 0 C-N-CA 123.533 0.733 . . . . 0.0 111.386 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.585 ' HA ' ' HB3' ' A' ' 45' ' ' LYS . 60.2 m-85 -134.33 146.12 49.67 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.313 -0.858 . . . . 0.0 108.716 177.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.496 ' OG ' ' HA ' ' A' ' 45' ' ' LYS . 8.7 m -59.53 -46.49 88.7 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 111.841 0.312 . . . . 0.0 111.841 -178.577 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.463 ' CG ' ' HZ1' ' A' ' 17' ' ' LYS . 28.6 t70 -159.76 149.09 17.98 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.9 0.381 . . . . 0.0 110.874 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.481 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -108.38 134.14 12.06 Favored Glycine 0 N--CA 1.442 -0.909 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.927 179.596 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 18.4 p80 -134.42 125.49 27.61 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 121.692 0.758 . . . . 0.0 110.758 179.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 52.8 m -74.11 138.19 43.76 Favored 'General case' 0 C--N 1.307 -1.28 0 CA-C-N 115.093 -0.958 . . . . 0.0 109.982 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.413 ' HB3' HD13 ' A' ' 42' ' ' LEU . 6.4 p -74.18 -159.54 0.08 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.086 0.47 . . . . 0.0 111.779 -178.7 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 41.3 ttmt -125.3 -46.6 1.77 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.476 -179.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.627 ' H ' HD12 ' A' ' 37' ' ' ILE . 4.7 mp -66.52 -69.76 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 120.734 0.302 . . . . 0.0 111.02 -179.017 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.813 HD23 ' HD3' ' A' ' 40' ' ' ARG . 16.3 tp -81.21 -19.67 42.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.432 0.634 . . . . 0.0 109.327 179.435 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.468 ' HB3' HG13 ' A' ' 13' ' ' VAL . 28.8 tpt180 62.34 23.6 13.99 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 114.715 -1.13 . . . . 0.0 111.443 179.214 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.813 ' HD3' HD23 ' A' ' 38' ' ' LEU . 37.8 ptt180 -82.29 161.91 22.47 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 178.29 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 35.8 t -76.57 107.17 8.66 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 112.916 0.709 . . . . 0.0 112.916 -178.423 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.423 HD12 ' HG3' ' A' ' 6' ' ' GLU . 11.2 mp -92.01 123.96 35.75 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 177.672 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.475 ' HB3' ' CG ' ' A' ' 29' ' ' PHE . 70.9 m -102.54 136.55 42.17 Favored 'General case' 0 C--N 1.317 -0.837 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.618 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.432 ' HA ' ' O ' ' A' ' 3' ' ' CYS . 0.7 OUTLIER -122.31 141.04 51.95 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.126 179.414 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.585 ' HB3' ' HA ' ' A' ' 29' ' ' PHE . 50.7 pttt -154.55 -178.87 7.47 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.219 0.533 . . . . 0.0 111.75 -179.646 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.406 ' OE1' ' HB2' ' A' ' 45' ' ' LYS . 2.1 pm0 -79.54 148.85 31.63 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-N 114.612 -1.176 . . . . 0.0 111.286 -179.574 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 31.6 p . . . . . 0 C--O 1.245 0.828 0 CA-C-N 115.125 -0.943 . . . . 0.0 108.758 179.273 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.1 m . . . . . 0 N--CA 1.454 -0.251 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 28.0 m -114.8 137.81 51.5 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.818 0.342 . . . . 0.0 111.084 -179.49 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.54 ' HD2' ' N ' ' A' ' 5' ' ' ALA . 0.4 OUTLIER -133.33 129.54 37.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.75 -179.488 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.54 ' N ' ' HD2' ' A' ' 4' ' ' LYS . . . -159.72 135.37 8.46 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.16 -0.682 . . . . 0.0 109.16 178.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.65 ' OE2' ' HG ' ' A' ' 42' ' ' LEU . 8.5 mp0 -65.01 138.62 58.47 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 -179.742 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.429 ' HB3' ' HB2' ' A' ' 10' ' ' TRP . 40.3 t -52.4 126.3 37.53 Favored Pre-proline 0 C--N 1.321 -0.641 0 O-C-N 123.497 0.498 . . . . 0.0 110.577 -178.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -54.43 -42.5 67.34 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 123.032 2.488 . . . . 0.0 112.279 -179.218 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 23.9 p -90.63 46.02 1.3 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.636 179.222 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . 0.429 ' HB2' ' HB3' ' A' ' 7' ' ' CYS . 35.9 t-105 -144.83 119.29 9.65 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.558 -179.578 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -150.34 53.07 0.9 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.779 0.8 . . . . 0.0 109.108 179.364 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.0 p -152.17 171.37 18.02 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.366 -0.833 . . . . 0.0 110.731 -178.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 58.2 t -78.6 132.2 32.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.314 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.865 ' HB2' ' HG3' ' A' ' 39' ' ' ARG . 1.2 m -63.14 130.71 45.81 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.897 -0.592 . . . . 0.0 112.12 -179.702 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 45.2 mm -99.37 -27.67 3.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.602 -0.727 . . . . 0.0 109.213 178.601 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.591 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 20.2 t-20 -166.8 162.1 15.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.227 -0.897 . . . . 0.0 108.857 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.469 ' O ' HG23 ' A' ' 21' ' ' VAL . 55.9 tttm -67.5 -34.11 76.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.285 0.088 . . . . 0.0 110.905 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.574 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 0.1 OUTLIER -51.64 -56.7 18.75 Favored Pre-proline 0 CA--C 1.54 0.576 0 CA-C-N 116.592 -0.276 . . . . 0.0 111.284 -179.493 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.591 ' HD2' ' O ' ' A' ' 16' ' ' ASN . 80.1 Cg_exo -50.96 -44.49 41.68 Favored 'Trans proline' 0 C--N 1.36 1.133 0 C-N-CA 122.495 2.13 . . . . 0.0 111.834 178.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 51.3 t -62.05 -51.73 66.82 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.848 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 17' ' ' LYS . 98.9 t -57.16 -39.63 68.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.68 179.496 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.57 -44.16 97.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.91 0.385 . . . . 0.0 110.486 179.168 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.553 ' O ' ' HG3' ' A' ' 26' ' ' LYS . 4.9 t -63.26 -44.73 94.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.585 0.707 . . . . 0.0 109.394 178.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.61 ' SG ' ' HA3' ' A' ' 32' ' ' GLY . 71.6 m -64.9 -37.35 87.35 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.382 179.744 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.489 ' HD3' ' HA ' ' A' ' 25' ' ' LYS . 18.6 mmtp -65.03 -43.61 91.84 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 121.258 -0.177 . . . . 0.0 111.207 179.697 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.553 ' HG3' ' O ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -68.71 -25.68 64.89 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 178.686 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -84.05 -1.9 55.69 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.925 179.241 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 34.9 ttmt 72.39 45.71 0.34 Allowed 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 123.5 0.72 . . . . 0.0 111.925 179.303 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -115.13 147.79 39.79 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.843 -0.428 . . . . 0.0 109.843 178.462 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.518 ' OG ' ' HA ' ' A' ' 45' ' ' LYS . 1.7 m -57.47 -47.68 81.21 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.388 0.514 . . . . 0.0 112.388 -178.326 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -164.16 144.91 8.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.924 0.392 . . . . 0.0 110.987 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.61 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -107.98 141.16 15.69 Favored Glycine 0 N--CA 1.445 -0.738 0 CA-C-N 115.866 -0.607 . . . . 0.0 112.934 -179.519 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.44 ' HE1' HG23 ' A' ' 44' ' ' THR . 43.5 p-80 -133.59 131.36 39.57 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.05 0.453 . . . . 0.0 110.153 179.164 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 67.3 m -74.52 140.83 44.77 Favored 'General case' 0 C--N 1.311 -1.089 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.71 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.458 ' O ' ' HD3' ' A' ' 39' ' ' ARG . 12.1 p -77.97 -165.12 0.6 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.017 0.437 . . . . 0.0 111.599 -179.248 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.484 ' HA ' ' NH1' ' A' ' 39' ' ' ARG . 23.8 pttm -117.1 -19.06 9.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.745 -179.749 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.444 ' HB ' ' H ' ' A' ' 38' ' ' LEU . 16.6 mt -77.99 -100.74 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.804 0.335 . . . . 0.0 110.512 -179.561 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.444 ' H ' ' HB ' ' A' ' 37' ' ' ILE . 26.8 tp -73.44 -2.76 23.76 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.339 0.59 . . . . 0.0 110.367 179.532 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.865 ' HG3' ' HB2' ' A' ' 14' ' ' CYS . 12.9 tpp180 67.27 32.16 6.15 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 114.845 -1.07 . . . . 0.0 110.51 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 82.6 mtt-85 -69.12 152.47 45.12 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.208 178.475 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.42 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 24.9 t -82.19 104.55 12.6 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.787 179.607 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.65 ' HG ' ' OE2' ' A' ' 6' ' ' GLU . 10.8 mp -86.94 117.39 25.63 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 179.158 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.407 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 76.6 m -94.51 131.62 40.04 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-O 120.966 0.412 . . . . 0.0 110.573 179.769 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.44 HG23 ' HE1' ' A' ' 33' ' ' HIS . 0.0 OUTLIER -115.16 144.55 43.51 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.833 179.252 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.518 ' HA ' ' OG ' ' A' ' 30' ' ' SER . 10.5 ptmm? -157.3 165.01 37.0 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 120.971 0.415 . . . . 0.0 110.589 -179.712 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.575 ' CD ' ' H ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -79.56 145.62 33.04 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.524 179.372 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 28.6 p . . . . . 0 C--O 1.251 1.173 0 CA-C-O 117.395 -1.288 . . . . 0.0 109.048 179.995 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.5 m . . . . . 0 N--CA 1.455 -0.211 0 N-CA-C 110.206 -0.294 . . . . 0.0 110.206 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 33.5 m -114.77 138.73 50.39 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.788 0.327 . . . . 0.0 110.642 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.506 ' HD2' HD23 ' A' ' 42' ' ' LEU . 13.9 ttpp -150.91 121.11 7.24 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.161 -179.117 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -160.48 152.45 20.11 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.232 179.377 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.622 ' HA ' ' O ' ' A' ' 41' ' ' CYS . 24.3 mt-10 -65.45 141.8 58.39 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.81 0.338 . . . . 0.0 110.809 -179.452 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.4 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 44.4 t -52.74 126.05 39.85 Favored Pre-proline 0 C--N 1.326 -0.452 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.939 -179.008 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 7' ' ' CYS . 43.9 Cg_exo -57.26 -41.71 70.45 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.919 2.413 . . . . 0.0 112.369 -179.344 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 38.8 p -90.99 43.71 1.16 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.032 179.668 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . 0.546 ' HB2' ' SG ' ' A' ' 23' ' ' CYS . 23.2 t-105 -146.35 123.73 11.65 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.51 -179.716 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.6 ' HA ' ' HD2' ' A' ' 40' ' ' ARG . 11.5 t70 -151.2 59.85 0.9 Allowed 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.722 0.773 . . . . 0.0 108.99 178.822 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.4 ' O ' ' HA ' ' A' ' 40' ' ' ARG . 22.5 t -146.66 170.61 16.58 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.171 -0.922 . . . . 0.0 109.466 -179.09 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 57.5 t -77.97 127.67 38.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 121.104 0.478 . . . . 0.0 110.972 -179.53 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.526 ' HB2' ' O ' ' A' ' 40' ' ' ARG . 3.8 t -66.8 119.83 12.52 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.787 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 48.4 mm -99.17 -34.37 4.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.203 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.533 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 5.7 t-20 -159.34 165.99 32.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.837 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.505 ' O ' HG23 ' A' ' 21' ' ' VAL . 55.9 tttm -64.0 -41.86 97.35 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 -178.494 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.768 ' HG3' ' HD3' ' A' ' 19' ' ' PRO . 1.2 pttm -49.57 -55.33 23.3 Favored Pre-proline 0 N--CA 1.475 0.804 0 N-CA-C 113.539 0.94 . . . . 0.0 113.539 -178.293 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.768 ' HD3' ' HG3' ' A' ' 18' ' ' LYS . 57.9 Cg_exo -54.3 -44.79 46.15 Favored 'Trans proline' 0 C--N 1.356 0.953 0 C-N-CA 121.795 1.663 . . . . 0.0 111.78 179.595 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 41.5 t -61.56 -47.5 85.26 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.262 -0.881 . . . . 0.0 109.913 179.139 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.505 HG23 ' O ' ' A' ' 17' ' ' LYS . 71.5 t -56.66 -43.43 78.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.68 178.716 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.39 -45.46 84.5 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.741 179.591 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.546 ' SG ' ' HB2' ' A' ' 10' ' ' TRP . 4.5 t -63.8 -44.49 93.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.442 0.639 . . . . 0.0 109.808 179.055 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.723 ' SG ' ' HA3' ' A' ' 32' ' ' GLY . 70.3 m -63.69 -37.49 87.55 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.617 -0.719 . . . . 0.0 111.439 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.499 ' HG2' ' O ' ' A' ' 21' ' ' VAL . 0.5 OUTLIER -65.77 -45.43 82.55 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 121.277 -0.169 . . . . 0.0 111.104 179.925 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.523 ' HG3' ' O ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -67.31 -26.36 66.48 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 120.65 -0.42 . . . . 0.0 110.445 179.34 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -81.23 -1.48 45.05 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.883 179.462 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 29.0 ttmt 71.07 43.67 0.64 Allowed 'General case' 0 C--O 1.236 0.369 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.598 179.367 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -109.07 150.21 28.15 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 178.109 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.504 ' OG ' ' HA ' ' A' ' 45' ' ' LYS . 9.4 p -60.04 -43.33 95.43 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 120.709 0.29 . . . . 0.0 111.127 -179.168 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -169.55 159.25 8.29 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.686 178.479 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.723 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -121.42 157.65 16.26 Favored Glycine 0 N--CA 1.446 -0.654 0 CA-C-N 115.844 -0.616 . . . . 0.0 112.245 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 32.7 p80 -139.26 145.33 39.06 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.973 0.416 . . . . 0.0 110.692 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 8.2 t -59.29 143.78 48.31 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.17 179.586 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.834 ' HB3' HD13 ' A' ' 42' ' ' LEU . 2.7 p -99.19 -157.27 0.59 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.775 0.321 . . . . 0.0 111.144 -179.746 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 39.9 ttpt -150.32 -39.47 0.14 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.366 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 27.6 mt -55.34 -76.93 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 CA-C-O 120.941 0.401 . . . . 0.0 111.034 -179.227 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.401 HD12 ' HA ' ' A' ' 38' ' ' LEU . 15.8 tp -91.44 -11.81 36.54 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 178.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.415 ' HA ' ' HD2' ' A' ' 39' ' ' ARG . 10.6 tpt180 64.08 35.53 10.38 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 113.886 -1.506 . . . . 0.0 111.229 179.428 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.6 ' HD2' ' HA ' ' A' ' 11' ' ' ASP . 69.3 mtm180 -87.46 -91.22 0.11 Allowed 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.535 -0.466 . . . . 0.0 111.131 178.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.622 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 4.0 t -176.23 106.76 0.07 Allowed 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 111.863 0.32 . . . . 0.0 111.863 -179.156 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.834 HD13 ' HB3' ' A' ' 35' ' ' SER . 5.6 mp -87.39 121.39 29.77 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 120.709 0.29 . . . . 0.0 110.951 178.369 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.499 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 67.8 m -98.9 140.55 32.9 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.238 178.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.467 HG22 ' HB2' ' A' ' 4' ' ' LYS . 1.2 p -118.27 143.9 46.22 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.017 179.608 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.504 ' HA ' ' OG ' ' A' ' 30' ' ' SER . 17.7 ptmt -160.92 166.77 27.86 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.118 0.485 . . . . 0.0 111.328 -179.74 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -79.46 150.79 31.14 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.008 -0.996 . . . . 0.0 110.324 178.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 29.4 p . . . . . 0 C--O 1.252 1.202 0 CA-C-O 117.469 -1.253 . . . . 0.0 109.016 179.631 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 5.8 m . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.431 ' O ' ' HA ' ' A' ' 44' ' ' THR . 64.5 m -116.84 134.59 54.59 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 112.497 0.554 . . . . 0.0 112.497 -177.678 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.529 ' HD2' ' N ' ' A' ' 5' ' ' ALA . 0.5 OUTLIER -130.09 128.94 42.9 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.576 179.792 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.529 ' N ' ' HD2' ' A' ' 4' ' ' LYS . . . -158.76 128.45 5.71 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 178.836 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.632 ' HG3' HD12 ' A' ' 42' ' ' LEU . 41.8 mp0 -64.24 140.35 58.86 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 -179.831 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 49.5 t -51.31 125.11 24.9 Favored Pre-proline 0 C--N 1.322 -0.616 0 O-C-N 123.665 0.603 . . . . 0.0 110.448 -179.053 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -53.88 -41.6 73.43 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.914 2.409 . . . . 0.0 112.11 -179.035 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 21.9 p -90.86 43.56 1.15 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.587 179.023 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . 0.671 ' HZ2' ' HA ' ' A' ' 14' ' ' CYS . 10.0 t-105 -150.32 85.91 1.4 Allowed 'General case' 0 N--CA 1.45 -0.47 0 CA-C-O 121.666 0.746 . . . . 0.0 111.248 -179.52 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 1.046 ' HA ' HH12 ' A' ' 40' ' ' ARG . 12.3 p-10 -103.79 -9.62 18.9 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-N 115.326 -0.852 . . . . 0.0 109.814 178.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.1 t -82.21 -176.78 6.35 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.173 -0.922 . . . . 0.0 112.267 -178.677 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 88.3 t -85.13 130.04 36.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.046 -0.979 . . . . 0.0 111.416 -179.602 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.671 ' HA ' ' HZ2' ' A' ' 10' ' ' TRP . 1.9 t -80.1 126.47 31.12 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.363 178.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 56.4 mt -98.99 -39.59 8.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 120.916 0.389 . . . . 0.0 111.182 -179.478 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.611 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 19.6 t-20 -144.11 160.94 40.04 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.398 -178.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.449 ' O ' HG23 ' A' ' 21' ' ' VAL . 63.5 tttp -65.04 -36.31 83.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.286 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.74 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 22.6 tptp -51.47 -57.31 14.79 Favored Pre-proline 0 CA--C 1.54 0.595 0 CA-C-O 119.476 -0.297 . . . . 0.0 111.767 -179.464 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.74 ' HD3' ' HB3' ' A' ' 18' ' ' LYS . 65.9 Cg_exo -56.11 -42.12 69.71 Favored 'Trans proline' 0 C--N 1.356 0.954 0 C-N-CA 122.326 2.017 . . . . 0.0 111.267 178.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 38.9 t -60.58 -51.4 69.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.182 -0.917 . . . . 0.0 110.713 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 17' ' ' LYS . 95.3 t -57.16 -36.44 51.65 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.109 0 CA-C-N 116.57 -0.286 . . . . 0.0 110.612 179.272 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.46 -46.24 87.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.85 0.357 . . . . 0.0 110.463 178.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.593 ' O ' ' HG3' ' A' ' 26' ' ' LYS . 4.1 t -64.73 -44.37 90.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.551 0.691 . . . . 0.0 109.497 179.08 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.57 ' SG ' ' HA3' ' A' ' 32' ' ' GLY . 78.2 m -64.52 -36.04 82.93 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.996 179.477 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.403 ' HD3' ' HA ' ' A' ' 25' ' ' LYS . 9.6 tppt? -65.82 -44.69 84.83 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.618 -0.264 . . . . 0.0 110.835 -179.738 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.593 ' HG3' ' O ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -66.9 -27.11 67.23 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-O 121.008 0.432 . . . . 0.0 109.962 178.927 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -81.07 -0.83 41.69 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.517 178.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.445 ' HE3' ' HB2' ' A' ' 28' ' ' LYS . 27.0 ttmt 71.55 35.98 1.36 Allowed 'General case' 0 C--O 1.237 0.405 0 CA-C-N 115.278 -0.874 . . . . 0.0 111.907 179.171 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.416 ' CD2' ' HG2' ' A' ' 45' ' ' LYS . 19.2 m-85 -102.12 148.67 25.11 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.8 178.207 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.512 ' OG ' ' HA ' ' A' ' 45' ' ' LYS . 0.9 OUTLIER -60.09 -49.45 77.62 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.958 -0.564 . . . . 0.0 112.129 -178.596 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.425 ' CG ' ' HZ1' ' A' ' 17' ' ' LYS . 4.9 t70 -158.09 145.96 18.51 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.862 0.363 . . . . 0.0 111.433 -179.584 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.57 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -109.6 141.2 16.03 Favored Glycine 0 N--CA 1.447 -0.608 0 CA-C-N 115.76 -0.655 . . . . 0.0 112.032 179.616 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.504 ' HE1' HG23 ' A' ' 44' ' ' THR . 30.5 p-80 -130.7 132.99 45.7 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.266 0.555 . . . . 0.0 111.356 -179.789 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 2.9 t -68.67 133.95 49.18 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.161 -0.927 . . . . 0.0 109.619 179.521 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.77 ' HB3' HD13 ' A' ' 42' ' ' LEU . 54.6 p -87.8 -156.08 0.33 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.383 0.611 . . . . 0.0 112.188 -178.666 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -133.58 -34.28 1.05 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.667 -179.364 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.482 ' HB ' ' H ' ' A' ' 38' ' ' LEU . 5.7 mt -61.28 -98.96 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 CA-C-O 121.447 0.641 . . . . 0.0 111.678 -178.788 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.482 ' H ' ' HB ' ' A' ' 37' ' ' ILE . 23.3 tp -79.93 2.76 22.2 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.59 0.71 . . . . 0.0 109.945 -179.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 23.8 tpt180 63.63 31.95 14.22 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 114.487 -1.233 . . . . 0.0 110.841 179.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 1.046 HH12 ' HA ' ' A' ' 11' ' ' ASP . 74.9 mtt-85 -75.52 156.86 34.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.497 178.596 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.422 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 11.3 t -85.32 100.12 11.6 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.368 -0.378 . . . . 0.0 109.987 178.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.77 HD13 ' HB3' ' A' ' 35' ' ' SER . 10.6 mp -81.68 122.15 27.27 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.3 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.401 ' HB2' ' O ' ' A' ' 5' ' ' ALA . 64.0 m -103.09 136.16 43.41 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 120.817 0.341 . . . . 0.0 110.418 179.718 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.504 HG23 ' HE1' ' A' ' 33' ' ' HIS . 0.2 OUTLIER -121.15 140.69 51.65 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.615 179.727 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.512 ' HA ' ' OG ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -160.94 165.29 30.23 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.271 179.549 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.599 ' CD ' ' H ' ' A' ' 46' ' ' GLU . 0.5 OUTLIER -80.16 124.55 28.88 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 114.999 -1.0 . . . . 0.0 110.446 179.414 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.245 0.864 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 178.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 13.4 m . . . . . 0 N--CA 1.455 -0.21 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 56.0 m -115.7 128.88 56.22 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.953 0.406 . . . . 0.0 111.249 -179.144 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.636 ' HD3' ' HG ' ' A' ' 42' ' ' LEU . 0.5 OUTLIER -119.85 134.82 55.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.536 -179.84 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.589 ' N ' ' HD2' ' A' ' 4' ' ' LYS . . . -163.03 136.16 5.7 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 179.06 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.536 ' HG3' HD12 ' A' ' 42' ' ' LEU . 9.7 mp0 -66.34 139.22 58.02 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 -179.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.418 ' HB2' ' SG ' ' A' ' 43' ' ' CYS . 48.4 t -54.17 123.63 42.39 Favored Pre-proline 0 C--N 1.322 -0.6 0 O-C-N 123.456 0.473 . . . . 0.0 110.245 -179.431 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_endo -56.2 -41.86 72.25 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.884 2.389 . . . . 0.0 111.833 -179.295 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 35.9 p -86.8 44.48 1.17 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.396 178.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 38.3 t-105 -148.34 122.0 9.23 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-O 121.077 0.465 . . . . 0.0 111.539 -178.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -151.22 66.66 0.9 Allowed 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 178.19 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 9.2 t -161.9 179.51 7.99 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.776 -179.049 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.409 HG13 ' HG2' ' A' ' 39' ' ' ARG . 60.6 t -78.84 117.84 25.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 121.226 0.536 . . . . 0.0 111.347 -179.456 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.567 ' SG ' ' HB2' ' A' ' 20' ' ' CYS . 49.2 t -80.23 106.59 12.37 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.749 -0.659 . . . . 0.0 109.787 179.278 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 63.3 mt -99.31 -57.64 4.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-O 121.076 0.465 . . . . 0.0 110.307 -179.699 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.517 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 18.7 t-20 -95.9 146.81 24.28 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.501 179.243 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.405 ' O ' HG23 ' A' ' 21' ' ' VAL . 39.2 mtmm -69.9 -33.62 72.45 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 111.939 0.348 . . . . 0.0 111.939 -179.556 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.71 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 12.5 tmtt? -51.03 -56.09 22.68 Favored Pre-proline 0 CA--C 1.539 0.547 0 CA-C-O 119.592 -0.242 . . . . 0.0 111.378 -179.342 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.71 ' HD3' ' HB3' ' A' ' 18' ' ' LYS . 83.5 Cg_exo -52.29 -43.83 50.87 Favored 'Trans proline' 0 C--N 1.357 0.986 0 C-N-CA 122.562 2.175 . . . . 0.0 112.263 179.251 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.567 ' HB2' ' SG ' ' A' ' 14' ' ' CYS . 39.4 t -65.67 -55.67 16.25 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.399 -179.256 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.603 ' O ' ' HG2' ' A' ' 25' ' ' LYS . 99.8 t -53.93 -45.59 63.76 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.221 0 CA-C-O 120.604 0.24 . . . . 0.0 110.38 179.691 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.68 -43.14 89.83 Favored 'General case' 0 C--O 1.238 0.491 0 CA-C-O 120.981 0.419 . . . . 0.0 110.749 179.229 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.639 ' HA ' ' HZ2' ' A' ' 26' ' ' LYS . 6.3 t -61.18 -46.93 88.46 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 178.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 72.7 m -61.61 -40.23 94.07 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 114.949 -1.023 . . . . 0.0 111.641 179.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.603 ' HG2' ' O ' ' A' ' 21' ' ' VAL . 12.6 mmmm -61.7 -42.56 99.11 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.855 -0.338 . . . . 0.0 110.646 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.639 ' HZ2' ' HA ' ' A' ' 23' ' ' CYS . 6.1 ptpp? -68.12 -30.76 69.99 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 120.484 -0.487 . . . . 0.0 109.892 179.372 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -80.74 4.5 18.73 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.918 179.508 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.417 ' HE3' ' HB2' ' A' ' 28' ' ' LYS . 32.4 ttmt 68.65 47.44 0.87 Allowed 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.545 179.527 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.68 ' HA ' ' HD3' ' A' ' 45' ' ' LYS . 31.0 m-85 -122.05 147.24 46.33 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 178.11 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.565 ' H ' ' HB3' ' A' ' 45' ' ' LYS . 2.7 m -76.85 -42.33 40.53 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 112.546 0.573 . . . . 0.0 112.546 -178.261 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -120.71 155.64 33.47 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.539 0.57 . . . . 0.0 112.539 -177.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -146.17 127.27 2.72 Favored Glycine 0 N--CA 1.444 -0.824 0 N-CA-C 110.325 -1.11 . . . . 0.0 110.325 178.545 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 32.3 p80 -149.06 142.04 24.8 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.226 0.536 . . . . 0.0 111.925 -178.306 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 13.7 m -66.5 146.91 54.0 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.326 179.347 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.743 ' HB3' HD13 ' A' ' 42' ' ' LEU . 11.0 p -92.84 -159.0 0.64 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.076 0.465 . . . . 0.0 111.523 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.433 ' H ' ' HB2' ' A' ' 35' ' ' SER . 84.9 tttt -116.99 -35.16 4.18 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.652 -179.585 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.461 ' HB ' ' H ' ' A' ' 38' ' ' LEU . 12.4 mt -67.43 -102.3 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 CA-C-O 120.88 0.371 . . . . 0.0 111.783 -178.471 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.461 ' H ' ' HB ' ' A' ' 37' ' ' ILE . 26.0 tp -77.56 6.64 6.78 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.519 0.676 . . . . 0.0 110.719 -179.579 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.409 ' HG2' HG13 ' A' ' 13' ' ' VAL . 21.4 tpt180 60.79 30.09 19.44 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 114.923 -1.035 . . . . 0.0 110.824 179.723 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.4 ' NE ' HD23 ' A' ' 38' ' ' LEU . 84.6 mtt-85 -69.98 154.66 41.66 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.185 178.498 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.445 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 20.3 t -77.82 110.91 13.1 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.316 179.448 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.743 HD13 ' HB3' ' A' ' 35' ' ' SER . 9.4 mp -90.17 123.91 34.39 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.283 179.519 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.418 ' SG ' ' HB2' ' A' ' 7' ' ' CYS . 85.4 m -104.95 134.31 48.28 Favored 'General case' 0 C--N 1.313 -0.991 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 179.53 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.42 148.37 51.32 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-O 121.207 0.527 . . . . 0.0 110.86 -179.445 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.68 ' HD3' ' HA ' ' A' ' 29' ' ' PHE . 61.7 pttt -163.0 174.12 12.73 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.723 179.503 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.429 ' HG2' ' H ' ' A' ' 46' ' ' GLU . 13.8 pt-20 -79.21 151.47 31.2 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.642 179.445 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 28.7 p . . . . . 0 C--O 1.253 1.287 0 CA-C-O 117.551 -1.214 . . . . 0.0 109.079 -179.996 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 12.2 m . . . . . 0 N--CA 1.451 -0.401 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.424 ' O ' ' HA ' ' A' ' 44' ' ' THR . 59.2 m -91.86 136.95 32.76 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.024 -179.3 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.921 ' HD2' HD23 ' A' ' 42' ' ' LEU . 11.7 ttpp -131.49 121.45 24.53 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.834 -179.686 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -152.29 143.46 23.2 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.334 179.241 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.541 ' HG2' HD12 ' A' ' 42' ' ' LEU . 42.1 mt-10 -65.83 140.07 58.36 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 -179.489 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 15.1 t -53.93 126.14 50.05 Favored Pre-proline 0 C--N 1.325 -0.459 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.03 -179.171 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_exo -51.28 -39.8 62.08 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 123.141 2.561 . . . . 0.0 112.683 -178.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 40.2 p -92.83 50.64 1.59 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.132 179.166 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 9.0 t-105 -157.03 137.78 13.28 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.32 -179.15 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -150.54 -29.51 0.21 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.651 -179.647 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 17.4 m -72.8 175.66 6.3 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.238 -0.892 . . . . 0.0 113.079 -177.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.783 HG13 ' HB3' ' A' ' 39' ' ' ARG . 90.8 t -78.49 130.22 36.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 114.906 -1.043 . . . . 0.0 111.016 -179.719 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.49 ' HB3' ' HG3' ' A' ' 39' ' ' ARG . 0.1 OUTLIER -71.55 127.99 34.38 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.055 179.547 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 51.6 mt -99.35 -26.07 3.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.395 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.563 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 19.9 t-20 -153.72 153.69 32.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.613 -179.499 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.562 ' O ' HG23 ' A' ' 21' ' ' VAL . 22.0 tptp -62.16 -40.22 95.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.883 -179.594 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.706 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 40.0 ttpt -51.96 -56.83 18.08 Favored Pre-proline 0 N--CA 1.47 0.552 0 N-CA-C 112.615 0.598 . . . . 0.0 112.615 -178.79 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.706 ' HD3' ' HB3' ' A' ' 18' ' ' LYS . 85.4 Cg_exo -50.53 -42.67 48.4 Favored 'Trans proline' 0 C--N 1.358 1.041 0 C-N-CA 122.383 2.055 . . . . 0.0 112.109 179.493 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 49.9 t -63.4 -50.69 68.84 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.381 179.593 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.562 HG23 ' O ' ' A' ' 17' ' ' LYS . 60.9 t -56.83 -40.24 69.85 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.207 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.716 179.238 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.14 -46.66 89.64 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-O 120.847 0.356 . . . . 0.0 110.897 179.589 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.584 ' HA ' ' HE3' ' A' ' 26' ' ' LYS . 5.3 t -62.08 -46.78 87.57 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-O 121.601 0.715 . . . . 0.0 109.745 179.345 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.616 ' SG ' ' HA3' ' A' ' 32' ' ' GLY . 82.8 m -65.08 -39.09 92.7 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 114.905 -1.043 . . . . 0.0 111.663 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.403 ' HD3' ' HA ' ' A' ' 25' ' ' LYS . 10.3 tppt? -63.29 -47.77 80.91 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.634 -0.257 . . . . 0.0 111.22 -178.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.584 ' HE3' ' HA ' ' A' ' 23' ' ' CYS . 19.9 pttp -66.62 -28.63 68.64 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.85 -0.34 . . . . 0.0 110.496 179.524 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -84.76 6.77 23.08 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-O 120.978 0.418 . . . . 0.0 111.173 179.168 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.458 ' O ' ' HD3' ' A' ' 45' ' ' LYS . 8.2 tmtt? 65.22 68.17 0.5 Allowed 'General case' 0 C--N 1.333 -0.115 0 C-N-CA 123.635 0.774 . . . . 0.0 111.215 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.549 ' HA ' ' HB3' ' A' ' 45' ' ' LYS . 55.0 m-85 -132.28 147.09 52.39 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 178.012 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.532 ' OG ' ' HA ' ' A' ' 45' ' ' LYS . 6.0 m -59.18 -48.66 80.79 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.741 0.305 . . . . 0.0 110.681 -179.13 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 47.2 t0 -162.91 153.12 16.22 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.02 178.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.616 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -113.56 142.81 17.65 Favored Glycine 0 N--CA 1.444 -0.783 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 179.277 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 28.1 p80 -137.49 132.9 33.97 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-O 121.468 0.652 . . . . 0.0 110.654 -179.378 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 9.2 m -72.88 134.03 44.65 Favored 'General case' 0 C--N 1.311 -1.095 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.257 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.501 ' O ' ' HD2' ' A' ' 39' ' ' ARG . 18.7 p -73.97 -179.72 3.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.09 0.471 . . . . 0.0 111.903 -178.8 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 61.5 tttp -93.55 -31.44 14.53 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.749 -179.466 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 13.7 mt -69.96 -101.76 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 CA-C-O 120.898 0.38 . . . . 0.0 111.885 -178.386 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.803 HD23 ' HE ' ' A' ' 40' ' ' ARG . 24.5 tp -75.6 4.11 8.26 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 121.143 0.497 . . . . 0.0 111.228 -179.248 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.783 ' HB3' HG13 ' A' ' 13' ' ' VAL . 23.1 tpt180 62.09 32.22 17.58 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.249 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.803 ' HE ' HD23 ' A' ' 38' ' ' LEU . 97.6 mtt180 -68.81 156.18 38.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.904 179.38 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.486 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 44.3 t -83.0 96.8 8.44 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.385 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.921 HD23 ' HD2' ' A' ' 4' ' ' LYS . 11.1 mp -86.97 116.8 25.27 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 178.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.527 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 61.4 m -94.13 136.29 34.58 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-O 120.873 0.368 . . . . 0.0 111.175 -179.527 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.424 ' HA ' ' O ' ' A' ' 3' ' ' CYS . 0.3 OUTLIER -118.89 142.19 47.97 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.051 179.075 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.549 ' HB3' ' HA ' ' A' ' 29' ' ' PHE . 53.6 pttt -159.85 175.75 12.72 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.248 0.547 . . . . 0.0 111.701 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -79.56 145.48 33.12 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 114.67 -1.15 . . . . 0.0 111.065 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 25.4 p . . . . . 0 C--O 1.242 0.675 0 N-CA-C 109.13 -0.692 . . . . 0.0 109.13 179.273 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 17.6 m . . . . . 0 N--CA 1.455 -0.218 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 57.7 m -112.17 137.82 49.72 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.92 0.391 . . . . 0.0 111.237 -179.106 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.668 ' HG2' HG23 ' A' ' 44' ' ' THR . 54.9 mtmt -124.5 135.05 52.89 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.169 179.717 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -161.74 139.02 8.64 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.825 179.654 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.505 ' OE1' ' HD2' ' A' ' 40' ' ' ARG . 7.4 mt-10 -64.31 141.98 58.58 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.609 ' HB3' ' HB2' ' A' ' 10' ' ' TRP . 45.8 t -56.88 126.36 72.04 Favored Pre-proline 0 C--N 1.322 -0.589 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.268 -179.396 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 7' ' ' CYS . 51.8 Cg_exo -54.04 -39.13 86.68 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 123.115 2.544 . . . . 0.0 112.585 -179.145 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 23.7 p -97.78 45.36 1.03 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.059 179.682 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . 0.609 ' HB2' ' HB3' ' A' ' 7' ' ' CYS . 45.2 t-105 -132.53 122.66 25.17 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.273 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -148.01 58.97 1.11 Allowed 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 179.482 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 64.6 m -160.79 169.51 22.58 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.218 -178.71 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 99.7 t -78.56 126.49 38.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 179.293 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.563 ' SG ' ' HB2' ' A' ' 20' ' ' CYS . 4.1 t -73.15 117.18 14.58 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.048 -179.449 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 63.7 mt -98.48 -53.21 8.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-O 120.952 0.406 . . . . 0.0 110.479 -179.477 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.57 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 18.1 t-20 -117.3 152.52 34.71 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.892 -0.594 . . . . 0.0 109.96 179.771 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.472 ' HZ1' ' CG ' ' A' ' 31' ' ' ASP . 63.2 tttp -64.79 -36.91 85.83 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.862 -179.546 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.691 ' HB2' ' HD3' ' A' ' 19' ' ' PRO . 57.7 mtpt -50.78 -57.08 14.67 Favored Pre-proline 0 N--CA 1.47 0.553 0 N-CA-C 112.45 0.537 . . . . 0.0 112.45 -179.134 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.691 ' HD3' ' HB2' ' A' ' 18' ' ' LYS . 85.4 Cg_exo -51.71 -43.29 52.05 Favored 'Trans proline' 0 C--N 1.358 1.04 0 C-N-CA 122.336 2.024 . . . . 0.0 112.147 179.453 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.563 ' HB2' ' SG ' ' A' ' 14' ' ' CYS . 42.8 t -64.7 -51.15 63.98 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.619 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.492 ' CG1' ' HE2' ' A' ' 25' ' ' LYS . 95.1 t -56.8 -42.15 77.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.952 179.566 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.568 ' O ' ' HG2' ' A' ' 26' ' ' LYS . . . -61.05 -46.64 89.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.246 179.203 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.474 ' O ' ' HG3' ' A' ' 26' ' ' LYS . 5.4 t -60.62 -42.26 96.49 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.603 0.716 . . . . 0.0 109.86 179.06 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.638 ' SG ' ' HA3' ' A' ' 32' ' ' GLY . 81.7 m -65.5 -46.5 79.45 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 115.275 -0.875 . . . . 0.0 112.151 -179.595 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.492 ' HE2' ' CG1' ' A' ' 21' ' ' VAL . 67.6 mttm -62.55 -40.74 97.79 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 111.887 0.329 . . . . 0.0 111.887 -179.192 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.568 ' HG2' ' O ' ' A' ' 22' ' ' ALA . 14.9 ptmt -67.62 -32.9 73.92 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.342 -0.543 . . . . 0.0 109.581 178.128 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -80.81 5.87 14.68 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.974 178.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.43 ' HD3' ' HA ' ' A' ' 28' ' ' LYS . 4.8 tppt? 71.4 56.83 0.19 Allowed 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.374 -0.83 . . . . 0.0 112.281 179.105 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.589 ' HA ' ' HD3' ' A' ' 45' ' ' LYS . 47.6 m-85 -130.53 148.01 52.28 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 178.136 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.537 ' H ' ' HB3' ' A' ' 45' ' ' LYS . 6.8 m -63.46 -48.22 78.62 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -178.572 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.472 ' CG ' ' HZ1' ' A' ' 17' ' ' LYS . 5.0 t70 -161.4 147.92 14.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.705 -0.225 . . . . 0.0 111.041 -179.09 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.638 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -114.76 153.29 17.72 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.921 -0.657 . . . . 0.0 112.85 -179.817 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 39.4 p-80 -139.5 135.09 33.13 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.889 0.376 . . . . 0.0 110.817 -179.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.463 ' HB3' ' HB3' ' A' ' 14' ' ' CYS . 22.4 m -72.8 126.79 30.76 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 178.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.658 ' O ' ' HA ' ' A' ' 39' ' ' ARG . 15.6 p -70.93 158.56 36.25 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 179.597 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 40.1 ttpt -88.77 -35.48 16.64 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 -178.591 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 62.1 mt -67.16 -75.71 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 112.799 0.666 . . . . 0.0 112.799 -178.002 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.715 ' HB3' ' HG2' ' A' ' 40' ' ' ARG . 22.1 tp -87.31 -9.25 55.43 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.134 0.492 . . . . 0.0 110.974 -178.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.658 ' HA ' ' O ' ' A' ' 35' ' ' SER . 22.0 tpt180 63.72 32.02 13.96 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.251 -0.886 . . . . 0.0 111.369 179.673 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.715 ' HG2' ' HB3' ' A' ' 38' ' ' LEU . 9.7 ptt180 -91.33 155.18 18.7 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.712 178.014 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.421 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 31.3 t -75.51 106.94 7.32 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.227 0.454 . . . . 0.0 112.227 -178.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.4 HD13 ' HB3' ' A' ' 35' ' ' SER . 9.5 mp -97.38 121.98 39.9 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 177.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.491 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 75.2 m -93.55 142.61 27.15 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-O 120.999 0.428 . . . . 0.0 111.34 -179.22 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.668 HG23 ' HG2' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -125.11 141.67 51.97 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.713 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.589 ' HD3' ' HA ' ' A' ' 29' ' ' PHE . 61.2 pttt -162.37 169.96 19.65 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.934 178.623 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.438 ' HG2' ' H ' ' A' ' 46' ' ' GLU . 12.8 pt-20 -78.54 151.08 32.68 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.033 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 28.6 p . . . . . 0 C--O 1.253 1.288 0 CA-C-O 117.563 -1.208 . . . . 0.0 109.007 -179.921 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 36.2 m . . . . . 0 N--CA 1.451 -0.385 0 CA-C-O 121.077 0.465 . . . . 0.0 109.88 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 61.7 m -95.32 137.78 33.91 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.479 -179.465 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.523 ' HD2' HD23 ' A' ' 42' ' ' LEU . 37.1 ttpt -134.97 130.86 36.45 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.679 -179.378 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -168.46 146.19 4.08 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.294 179.677 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.528 ' HG2' ' HB3' ' A' ' 40' ' ' ARG . 3.4 mp0 -63.85 143.39 57.89 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.907 0.384 . . . . 0.0 110.64 -179.459 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.437 ' HB2' ' SG ' ' A' ' 43' ' ' CYS . 47.7 t -56.9 126.69 73.16 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.379 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 7' ' ' CYS . 44.2 Cg_exo -57.8 -42.21 61.64 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.93 2.42 . . . . 0.0 112.467 -179.3 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 56.7 p -88.58 45.43 1.29 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.087 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . 0.48 ' HH2' ' HB2' ' A' ' 19' ' ' PRO . 58.1 t-105 -133.56 127.5 33.26 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.763 0.316 . . . . 0.0 110.785 -179.624 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -150.5 68.57 0.97 Allowed 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 179.328 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.7 t -170.27 171.57 6.67 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.062 -178.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 59.6 t -79.2 118.59 26.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.389 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.557 ' SG ' ' HB2' ' A' ' 20' ' ' CYS . 19.2 t -77.46 105.67 8.74 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 179.671 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 64.1 mt -98.88 -47.14 12.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 120.902 0.382 . . . . 0.0 110.597 -179.263 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.627 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 42.7 t30 -114.13 148.24 37.52 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.99 179.576 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.528 ' O ' HG23 ' A' ' 21' ' ' VAL . 7.4 mtpt -65.77 -35.58 81.11 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.79 0.663 . . . . 0.0 112.79 -178.737 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.675 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 10.3 tmtt? -47.13 -56.83 10.86 Favored Pre-proline 0 N--CA 1.473 0.706 0 N-CA-C 112.182 0.438 . . . . 0.0 112.182 -178.245 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.675 ' HD3' ' HB3' ' A' ' 18' ' ' LYS . 53.2 Cg_exo -56.2 -42.73 63.27 Favored 'Trans proline' 0 C--N 1.354 0.849 0 C-N-CA 122.142 1.894 . . . . 0.0 111.801 179.45 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.557 ' HB2' ' SG ' ' A' ' 14' ' ' CYS . 34.3 t -63.21 -49.68 73.24 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.703 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.528 HG23 ' O ' ' A' ' 17' ' ' LYS . 92.3 t -55.81 -42.85 72.03 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.96 179.513 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.15 -43.48 98.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.115 0.483 . . . . 0.0 110.366 179.3 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 1.012 ' HA ' ' HE3' ' A' ' 26' ' ' LYS . 4.8 t -65.63 -47.44 75.58 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.836 179.194 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.482 ' SG ' ' HA3' ' A' ' 32' ' ' GLY . 96.8 m -59.83 -47.61 85.02 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.313 -0.858 . . . . 0.0 112.193 -179.576 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -65.39 -33.6 76.34 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.966 -0.294 . . . . 0.0 111.664 -179.469 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 1.012 ' HE3' ' HA ' ' A' ' 23' ' ' CYS . 6.8 ptpt -66.52 -33.33 75.45 Favored 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 178.228 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -87.17 13.96 8.56 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.092 179.668 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 36.7 ttmt 66.88 57.57 0.63 Allowed 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 115.64 -0.709 . . . . 0.0 112.121 179.096 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.47 ' CD2' ' HG2' ' A' ' 45' ' ' LYS . 64.5 m-85 -128.74 146.07 51.0 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 108.928 -0.768 . . . . 0.0 108.928 178.142 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.498 ' OG ' ' HA ' ' A' ' 45' ' ' LYS . 0.4 OUTLIER -66.9 -45.41 78.1 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 112.24 0.459 . . . . 0.0 112.24 -178.32 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -154.43 157.14 38.02 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.99 0.424 . . . . 0.0 110.827 -179.169 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.482 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -123.43 161.73 17.63 Favored Glycine 0 N--CA 1.446 -0.634 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.821 179.652 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 33.5 p-80 -156.23 133.81 10.93 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.033 0.444 . . . . 0.0 111.183 -179.455 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 14.6 m -70.06 135.82 49.67 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.816 179.253 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.648 ' HB3' HD13 ' A' ' 42' ' ' LEU . 11.7 p -81.45 -155.06 0.12 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.918 0.389 . . . . 0.0 111.198 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.418 ' H ' ' HB2' ' A' ' 35' ' ' SER . 86.5 tttt -123.33 -39.89 2.42 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.265 -0.425 . . . . 0.0 112.104 -179.251 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 30.4 mt -60.54 -89.63 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.367 0 CA-C-O 120.903 0.382 . . . . 0.0 111.824 -178.458 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.701 HD23 ' HE ' ' A' ' 40' ' ' ARG . 26.3 tp -87.56 5.8 37.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.638 0.732 . . . . 0.0 110.094 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 59.13 33.7 22.95 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 114.559 -1.201 . . . . 0.0 110.533 -179.523 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.701 ' HE ' HD23 ' A' ' 38' ' ' LEU . 99.6 mtt180 -68.21 152.27 45.71 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.721 179.114 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.451 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 7.5 t -82.26 95.36 7.55 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.191 -0.459 . . . . 0.0 109.86 178.609 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.648 HD13 ' HB3' ' A' ' 35' ' ' SER . 9.8 mp -81.19 124.54 29.36 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.474 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.473 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 65.7 m -102.69 143.41 32.39 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.821 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -130.54 141.88 50.47 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.014 -179.687 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.498 ' HA ' ' OG ' ' A' ' 30' ' ' SER . 2.6 pttm -160.8 162.33 32.28 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.986 179.152 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.3 pm0 -77.66 145.77 36.48 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.154 179.595 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 22.8 p . . . . . 0 C--O 1.242 0.692 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 -179.727 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 11.7 m . . . . . 0 N--CA 1.455 -0.224 0 N-CA-C 110.013 -0.365 . . . . 0.0 110.013 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 78.0 m -110.26 141.3 43.41 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.68 -179.559 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.732 ' HB3' HG23 ' A' ' 44' ' ' THR . 24.2 pttm -150.44 142.26 23.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.024 0.44 . . . . 0.0 111.316 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -166.27 148.45 6.87 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.853 -1.067 . . . . 0.0 108.785 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.552 ' HG2' ' HB3' ' A' ' 40' ' ' ARG . 3.4 mp0 -60.63 139.57 57.77 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.701 0.286 . . . . 0.0 110.534 -179.331 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 22.3 t -55.88 124.43 58.03 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.355 179.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_exo -52.6 -39.82 74.52 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.967 2.445 . . . . 0.0 112.563 -178.716 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 26.7 p -92.71 47.3 1.28 Allowed 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.789 179.446 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . 0.462 ' HH2' ' HB2' ' A' ' 19' ' ' PRO . 37.2 t-105 -145.68 125.07 13.06 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.874 0.369 . . . . 0.0 111.176 -179.318 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -150.71 62.5 0.93 Allowed 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 178.616 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 51.0 m -153.95 170.78 20.23 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.208 -0.906 . . . . 0.0 110.257 -178.526 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 61.9 t -77.48 118.85 25.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.13 0.49 . . . . 0.0 110.697 -179.585 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.412 ' SG ' ' HB2' ' A' ' 20' ' ' CYS . 22.1 t -76.03 99.16 4.51 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.888 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 66.9 mt -97.98 -53.24 8.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 121.021 0.438 . . . . 0.0 109.831 -179.685 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.532 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 16.9 t-20 -100.4 140.69 34.29 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 178.733 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.562 ' O ' HG23 ' A' ' 21' ' ' VAL . 51.2 tttm -67.84 -35.57 78.81 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 -178.328 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.681 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 39.9 ttpt -50.63 -55.87 23.28 Favored Pre-proline 0 N--CA 1.47 0.555 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 -178.701 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.681 ' HD3' ' HB3' ' A' ' 18' ' ' LYS . 75.4 Cg_exo -52.81 -43.72 53.85 Favored 'Trans proline' 0 C--N 1.357 0.98 0 C-N-CA 122.335 2.023 . . . . 0.0 112.072 179.663 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.412 ' HB2' ' SG ' ' A' ' 14' ' ' CYS . 42.1 t -62.68 -51.59 66.61 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.438 179.766 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.579 HG12 ' HE2' ' A' ' 25' ' ' LYS . 54.9 t -57.65 -38.18 63.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.692 179.308 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.29 -47.48 85.77 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.556 179.292 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.521 ' HA ' ' HE3' ' A' ' 26' ' ' LYS . 6.4 t -61.19 -45.87 92.8 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.33 0.586 . . . . 0.0 109.758 179.245 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.614 ' SG ' ' HA3' ' A' ' 32' ' ' GLY . 76.8 m -62.9 -47.45 83.24 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.104 -0.953 . . . . 0.0 112.428 -179.42 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.579 ' HE2' HG12 ' A' ' 21' ' ' VAL . 55.4 mtmt -59.87 -45.5 92.28 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 111.544 0.201 . . . . 0.0 111.544 -179.495 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.521 ' HE3' ' HA ' ' A' ' 23' ' ' CYS . 19.3 pttp -68.61 -25.34 64.81 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 120.518 -0.473 . . . . 0.0 110.558 179.733 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -88.41 9.85 22.08 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 121.087 0.47 . . . . 0.0 110.686 178.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 19.9 tptm 67.14 58.87 0.55 Allowed 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 115.33 -0.85 . . . . 0.0 112.266 179.367 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.544 ' HA ' ' HD3' ' A' ' 45' ' ' LYS . 56.2 m-85 -131.28 147.22 52.56 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 177.622 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.565 ' H ' ' HB3' ' A' ' 45' ' ' LYS . 10.4 m -63.25 -46.59 86.17 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.309 0.485 . . . . 0.0 112.309 -178.473 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -163.95 143.95 8.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.698 0.285 . . . . 0.0 111.271 -179.354 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.614 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -108.19 150.96 17.03 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 121.197 -0.525 . . . . 0.0 112.408 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 34.7 p80 -142.9 140.47 31.21 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.04 0.448 . . . . 0.0 111.269 -179.388 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 22.4 m -68.73 139.18 55.34 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.939 179.278 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.751 ' HB3' HD13 ' A' ' 42' ' ' LEU . 21.1 p -90.3 169.96 10.67 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.87 0.367 . . . . 0.0 110.945 179.845 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 23.7 ttpp -88.99 -26.73 21.32 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.809 -179.404 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 16.8 mt -71.03 -106.17 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.914 -178.198 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.636 HD23 ' HE ' ' A' ' 40' ' ' ARG . 22.9 tp -77.66 12.21 1.76 Allowed 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 121.32 0.581 . . . . 0.0 111.166 -179.167 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.515 ' HD2' ' O ' ' A' ' 35' ' ' SER . 18.3 tpt180 58.87 30.66 20.42 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.652 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.636 ' HE ' HD23 ' A' ' 38' ' ' LEU . 99.4 mtt180 -69.7 151.8 45.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.547 179.026 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.544 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 10.1 t -82.3 98.45 8.8 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.292 178.843 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.751 HD13 ' HB3' ' A' ' 35' ' ' SER . 9.1 mp -84.98 117.33 23.9 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.714 179.652 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.599 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 73.3 m -91.21 129.65 37.18 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.503 179.785 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.732 HG23 ' HB3' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -115.31 146.43 41.52 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.166 -179.749 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.565 ' HB3' ' H ' ' A' ' 30' ' ' SER . 55.7 pttt -162.12 171.14 17.94 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.01 178.698 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.442 ' H ' ' HG2' ' A' ' 46' ' ' GLU . 14.4 pt-20 -78.43 151.17 32.86 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.163 -0.926 . . . . 0.0 110.915 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 29.3 p . . . . . 0 C--O 1.244 0.776 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.027 -179.963 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 31.2 m . . . . . 0 N--CA 1.451 -0.375 0 CA-C-O 121.302 0.573 . . . . 0.0 110.326 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 61.3 m -91.1 138.18 31.8 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.248 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.51 ' NZ ' ' HB3' ' A' ' 4' ' ' LYS . 5.5 ttpm? -137.2 128.23 27.61 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.664 -179.215 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -162.72 142.9 9.49 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.36 -0.836 . . . . 0.0 108.966 179.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.502 ' OE2' ' HD3' ' A' ' 40' ' ' ARG . 50.4 mt-10 -66.34 143.61 57.07 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.845 0.355 . . . . 0.0 110.692 -179.205 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.426 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 34.3 t -58.77 126.79 81.47 Favored Pre-proline 0 C--N 1.321 -0.636 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.018 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 7' ' ' CYS . 36.6 Cg_exo -58.12 -40.6 75.47 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.82 2.347 . . . . 0.0 112.373 -179.258 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.1 p -87.28 50.08 1.94 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.204 179.678 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . 0.514 ' HH2' ' HB2' ' A' ' 19' ' ' PRO . 58.1 t-105 -140.02 116.8 10.92 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.505 -179.75 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 13.7 p-10 -143.58 29.27 1.41 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.592 0.711 . . . . 0.0 109.941 -179.637 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.2 m -131.02 164.28 25.73 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.125 -179.69 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 60.8 t -78.58 124.99 37.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.936 179.649 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.736 ' HB3' ' HB3' ' A' ' 39' ' ' ARG . 12.0 t -73.34 124.6 26.05 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.467 -179.559 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 43.4 mm -102.01 -24.46 4.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.05 179.561 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.724 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 19.5 t-20 -151.16 155.29 38.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.775 -179.635 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.5 ' O ' HG23 ' A' ' 21' ' ' VAL . 57.2 tttm -63.71 -30.87 71.92 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.646 -0.252 . . . . 0.0 111.433 -179.494 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.829 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 23.8 tptm -48.36 -59.43 6.04 Favored Pre-proline 0 CA--C 1.543 0.695 0 N-CA-C 112.133 0.42 . . . . 0.0 112.133 -179.234 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.829 ' HD3' ' HB3' ' A' ' 18' ' ' LYS . 92.3 Cg_exo -50.99 -42.91 50.62 Favored 'Trans proline' 0 C--N 1.358 1.072 0 C-N-CA 122.756 2.304 . . . . 0.0 112.612 179.47 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.504 ' HB2' ' SG ' ' A' ' 34' ' ' CYS . 38.9 t -62.7 -50.17 72.2 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.091 -179.566 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.608 HG12 ' HE2' ' A' ' 25' ' ' LYS . 49.9 t -57.86 -38.98 69.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.812 0.339 . . . . 0.0 110.615 179.69 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.18 -47.45 84.43 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.456 179.227 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.451 ' O ' ' HG3' ' A' ' 26' ' ' LYS . 6.7 t -62.51 -47.71 82.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.097 179.357 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.721 ' SG ' ' HA3' ' A' ' 32' ' ' GLY . 88.8 m -59.47 -44.15 93.08 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.624 -0.716 . . . . 0.0 112.058 -179.62 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.608 ' HE2' HG12 ' A' ' 21' ' ' VAL . 55.2 mtmt -64.96 -41.51 95.4 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.782 -0.367 . . . . 0.0 111.199 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.451 ' HG3' ' O ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -70.59 -17.09 62.9 Favored 'General case' 0 C--O 1.232 0.172 0 C-N-CA 120.294 -0.562 . . . . 0.0 110.059 178.718 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -94.61 4.39 53.9 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.998 179.201 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.407 ' HE3' ' HB2' ' A' ' 28' ' ' LYS . 34.8 ttmt 70.51 57.4 0.25 Allowed 'General case' 0 C--O 1.236 0.361 0 CA-C-N 115.208 -0.906 . . . . 0.0 111.725 179.559 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.682 ' HA ' ' HD3' ' A' ' 45' ' ' LYS . 41.9 m-85 -131.48 148.65 52.66 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 178.525 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.625 ' H ' ' HB3' ' A' ' 45' ' ' LYS . 11.4 m -62.31 -48.27 80.6 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.054 0.39 . . . . 0.0 112.054 -178.795 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -159.37 151.7 21.18 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.746 0.308 . . . . 0.0 110.651 -179.688 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.721 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -119.04 146.62 18.36 Favored Glycine 0 N--CA 1.444 -0.807 0 C-N-CA 120.875 -0.678 . . . . 0.0 112.864 -179.702 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 29.2 p80 -134.55 129.24 34.75 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.464 0.649 . . . . 0.0 110.576 179.682 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.504 ' SG ' ' HB2' ' A' ' 20' ' ' CYS . 61.6 m -75.21 141.98 43.51 Favored 'General case' 0 C--N 1.311 -1.094 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.527 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 14.0 p -77.9 -162.59 0.34 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.733 0.302 . . . . 0.0 110.231 179.584 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -108.34 -43.76 4.27 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -179.33 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 38.2 mt -61.11 -88.64 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.358 0 N-CA-C 112.615 0.598 . . . . 0.0 112.615 -177.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.465 ' HB3' ' HG3' ' A' ' 40' ' ' ARG . 26.4 tp -87.2 7.16 29.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.17 0.51 . . . . 0.0 111.243 -178.72 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.736 ' HB3' ' HB3' ' A' ' 14' ' ' CYS . 35.6 mmt180 59.86 31.45 20.76 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.488 -179.189 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.502 ' HD3' ' OE2' ' A' ' 6' ' ' GLU . 66.9 mtt-85 -61.67 135.91 57.8 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.635 -0.712 . . . . 0.0 109.919 179.145 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.471 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 44.3 t -78.79 92.75 4.87 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.094 -0.503 . . . . 0.0 112.051 -178.38 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.3 mp -81.32 118.14 22.39 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 178.397 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.51 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 84.8 m -92.91 142.13 27.66 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 120.719 0.295 . . . . 0.0 110.719 -179.772 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -129.96 140.75 50.87 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.057 -179.778 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.682 ' HD3' ' HA ' ' A' ' 29' ' ' PHE . 62.1 pttt -161.12 162.86 31.62 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.399 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.457 ' H ' ' HG2' ' A' ' 46' ' ' GLU . 11.7 pt-20 -78.31 146.9 34.5 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.158 179.237 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 21.5 p . . . . . 0 C--O 1.252 1.232 0 CA-C-O 117.463 -1.256 . . . . 0.0 109.375 -179.672 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.5 m . . . . . 0 C--O 1.234 0.249 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.475 ' O ' ' HA ' ' A' ' 44' ' ' THR . 56.7 m -89.81 143.82 26.47 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 120.991 0.424 . . . . 0.0 112.099 -178.446 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 1.019 ' HG2' HG23 ' A' ' 44' ' ' THR . 36.8 mtmm -129.18 136.34 50.03 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.097 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -163.82 131.18 3.38 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 179.313 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.571 ' HA ' ' O ' ' A' ' 41' ' ' CYS . 4.6 mp0 -63.99 141.21 58.85 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.049 0.452 . . . . 0.0 111.219 -178.658 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.709 ' SG ' ' HB2' ' A' ' 10' ' ' TRP . 0.1 OUTLIER -49.14 124.04 13.25 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 114.833 -1.076 . . . . 0.0 109.808 179.136 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -54.09 -42.08 70.07 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 123.051 2.5 . . . . 0.0 112.517 -178.547 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.2 p -90.44 41.02 1.03 Allowed 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.045 179.435 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . 0.709 ' HB2' ' SG ' ' A' ' 7' ' ' CYS . 23.5 t-105 -140.48 116.86 10.7 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-O 121.073 0.463 . . . . 0.0 111.283 -179.586 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -151.03 55.59 0.89 Allowed 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 178.355 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.1 m -154.62 178.41 10.13 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.07 -0.968 . . . . 0.0 110.144 -178.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.741 HG13 ' HG3' ' A' ' 39' ' ' ARG . 84.4 t -78.1 124.36 36.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.243 -179.529 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.885 ' H ' ' HB2' ' A' ' 39' ' ' ARG . 3.0 t -72.36 123.98 24.18 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.648 -0.705 . . . . 0.0 109.572 179.521 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 52.3 mt -99.13 -25.17 4.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 121.202 0.525 . . . . 0.0 110.729 -179.171 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.578 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 18.9 t-20 -155.1 153.58 31.07 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.874 -179.646 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 63.6 tttp -64.55 -34.64 78.72 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.605 -179.647 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.724 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 88.1 tttt -51.29 -57.94 12.36 Favored Pre-proline 0 CA--C 1.539 0.521 0 CA-C-O 119.246 -0.407 . . . . 0.0 111.965 -179.343 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.724 ' HD3' ' HB3' ' A' ' 18' ' ' LYS . 63.0 Cg_exo -47.12 -46.72 18.56 Favored 'Trans proline' 0 C--N 1.359 1.085 0 C-N-CA 122.779 2.319 . . . . 0.0 112.381 179.14 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 52.9 t -64.33 -52.21 59.54 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.133 -0.94 . . . . 0.0 110.856 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 80.2 t -56.49 -37.53 52.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.31 179.209 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.82 -47.4 85.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.335 178.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.423 ' O ' ' HG3' ' A' ' 26' ' ' LYS . 16.6 t -64.45 -49.59 70.87 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 121.495 0.664 . . . . 0.0 110.244 179.101 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.61 ' SG ' ' HA3' ' A' ' 32' ' ' GLY . 68.1 m -55.81 -43.95 77.38 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.902 -179.522 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.569 ' HE3' ' O ' ' A' ' 30' ' ' SER . 0.1 OUTLIER -63.96 -45.38 89.37 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.022 0.378 . . . . 0.0 112.022 -179.852 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.423 ' HG3' ' O ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -68.47 -16.06 63.76 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.984 179.714 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -102.5 11.23 38.21 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-O 120.898 0.38 . . . . 0.0 110.988 179.409 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 46.5 tttp 65.37 51.66 1.53 Allowed 'General case' 0 CA--C 1.54 0.578 0 CA-C-O 121.674 0.75 . . . . 0.0 112.514 179.288 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.523 ' HB2' ' HB3' ' A' ' 24' ' ' CYS . 50.2 m-85 -117.14 145.18 43.98 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 177.471 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.569 ' O ' ' HE3' ' A' ' 25' ' ' LYS . 8.9 m -60.39 -45.62 92.89 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -178.605 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -166.8 150.62 6.98 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.649 0.261 . . . . 0.0 110.897 -179.708 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.61 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -116.91 147.65 18.9 Favored Glycine 0 N--CA 1.445 -0.73 0 C-N-CA 120.954 -0.641 . . . . 0.0 112.83 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 20.7 p-80 -137.53 129.29 28.64 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.9 0.381 . . . . 0.0 110.211 179.629 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 4.7 m -69.67 135.96 50.51 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.098 -179.355 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.542 ' O ' ' HA ' ' A' ' 39' ' ' ARG . 22.6 t -69.15 174.09 4.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.206 179.496 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.416 ' HE2' ' HB2' ' A' ' 36' ' ' LYS . 15.4 tppt? -89.69 -41.19 12.06 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 -179.146 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 31.7 mt -71.65 -95.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 120.696 0.284 . . . . 0.0 111.233 -178.581 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 32.0 tp -73.34 -4.91 36.28 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 121.496 0.665 . . . . 0.0 110.266 179.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.885 ' HB2' ' H ' ' A' ' 14' ' ' CYS . 17.2 mmt85 64.1 33.94 11.59 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 114.822 -1.081 . . . . 0.0 110.459 -179.569 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.523 ' HB3' ' HG2' ' A' ' 6' ' ' GLU . 83.4 mtt-85 -58.42 140.25 54.1 Favored 'General case' 0 C--N 1.334 -0.104 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 179.004 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.571 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 24.6 t -74.48 93.43 2.46 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.372 -179.073 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 8.1 mp -78.94 113.94 17.47 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 178.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.45 ' HB3' ' CG ' ' A' ' 29' ' ' PHE . 73.2 m -96.22 131.08 43.08 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 121.012 0.434 . . . . 0.0 111.149 -179.687 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 1.019 HG23 ' HG2' ' A' ' 4' ' ' LYS . 0.1 OUTLIER -106.2 147.34 29.17 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 178.225 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.495 ' HB3' ' CD2' ' A' ' 29' ' ' PHE . 14.1 pttp -160.4 -168.68 2.23 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 113.633 0.975 . . . . 0.0 113.633 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.434 ' HG2' ' H ' ' A' ' 46' ' ' GLU . 10.2 pt-20 -77.44 138.46 39.27 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 113.171 -1.831 . . . . 0.0 112.624 -178.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 18.2 p . . . . . 0 C--O 1.249 1.079 0 CA-C-O 117.261 -1.352 . . . . 0.0 108.64 177.554 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 6.0 m . . . . . 0 N--CA 1.451 -0.41 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.528 ' O ' ' HA ' ' A' ' 44' ' ' THR . 64.1 m -117.51 135.19 54.1 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 112.768 0.655 . . . . 0.0 112.768 -177.024 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.745 ' HD3' ' HG ' ' A' ' 42' ' ' LEU . 0.5 OUTLIER -122.7 131.81 53.97 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.274 -0.875 . . . . 0.0 109.52 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.578 ' N ' ' HD2' ' A' ' 4' ' ' LYS . . . -159.92 127.55 4.67 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 178.763 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.658 ' HG3' HD12 ' A' ' 42' ' ' LEU . 43.9 mp0 -63.94 136.34 57.26 Favored 'General case' 0 N--CA 1.446 -0.658 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 -179.637 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.442 ' HB2' ' SG ' ' A' ' 43' ' ' CYS . 23.4 t -54.07 124.5 45.5 Favored Pre-proline 0 C--N 1.32 -0.696 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.151 -179.098 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -55.79 -41.98 71.86 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.967 2.445 . . . . 0.0 112.146 -179.028 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.2 p -87.32 51.97 2.38 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.745 179.171 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 51.3 t-105 -147.02 126.22 12.98 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.769 -179.538 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -150.35 18.97 0.84 Allowed 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.314 179.625 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.9 t -114.21 -172.98 2.2 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.997 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.461 HG13 ' HG3' ' A' ' 39' ' ' ARG . 92.3 t -91.32 120.93 41.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.311 -179.711 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.569 ' SG ' ' HB2' ' A' ' 20' ' ' CYS . 20.2 t -79.63 118.91 21.9 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 179.036 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 64.8 mt -99.38 -48.93 11.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-O 120.968 0.413 . . . . 0.0 110.679 -179.312 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.654 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 37.4 t30 -125.19 164.88 19.31 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.015 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.43 ' O ' HG23 ' A' ' 21' ' ' VAL . 3.0 mmmp? -60.13 -36.93 78.59 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.014 0.375 . . . . 0.0 112.014 -179.56 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.705 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 22.4 tptm -47.93 -59.51 5.68 Favored Pre-proline 0 N--CA 1.472 0.626 0 N-CA-C 113.25 0.833 . . . . 0.0 113.25 -178.131 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.705 ' HD3' ' HB3' ' A' ' 18' ' ' LYS . 96.3 Cg_exo -50.14 -46.84 26.47 Favored 'Trans proline' 0 C--N 1.355 0.884 0 C-N-CA 122.272 1.981 . . . . 0.0 112.369 179.71 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.569 ' HB2' ' SG ' ' A' ' 14' ' ' CYS . 15.7 t -67.37 -51.37 52.85 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 114.952 -1.022 . . . . 0.0 111.038 -179.415 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.445 ' O ' ' HG2' ' A' ' 25' ' ' LYS . 76.7 t -55.44 -40.82 59.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.565 -0.289 . . . . 0.0 110.732 179.588 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.63 -49.14 78.73 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-O 120.782 0.325 . . . . 0.0 110.408 179.158 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 4.7 t -60.97 -46.86 89.01 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.593 0.711 . . . . 0.0 109.527 178.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.674 ' SG ' ' HA3' ' A' ' 32' ' ' GLY . 81.4 m -62.01 -36.24 80.94 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.021 179.385 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.746 ' HA ' ' HE3' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -60.63 -51.89 67.46 Favored 'General case' 0 CA--C 1.52 -0.179 0 CA-C-O 120.481 0.181 . . . . 0.0 110.751 179.602 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.28 -17.9 64.4 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.196 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -94.65 7.52 45.45 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.208 179.171 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.48 ' O ' ' HD2' ' A' ' 45' ' ' LYS . 12.6 tptp 66.71 37.44 4.28 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-O 121.908 0.861 . . . . 0.0 112.252 179.347 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.61 ' HB2' ' HB3' ' A' ' 24' ' ' CYS . 62.1 m-85 -107.72 145.7 33.1 Favored 'General case' 0 C--N 1.318 -0.765 0 O-C-N 121.237 -0.914 . . . . 0.0 109.744 177.51 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.3 m -58.85 -49.81 76.36 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.806 -178.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -159.07 154.06 25.03 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.597 -0.274 . . . . 0.0 110.528 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.674 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -122.17 140.9 13.89 Favored Glycine 0 N--CA 1.442 -0.936 0 CA-C-N 115.926 -0.579 . . . . 0.0 112.237 -179.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 26.4 p80 -132.22 135.32 46.22 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.1 0.476 . . . . 0.0 110.86 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.504 ' HB3' ' HB3' ' A' ' 14' ' ' CYS . 3.6 m -65.88 138.28 57.76 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.467 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.747 ' HB3' HD13 ' A' ' 42' ' ' LEU . 14.0 p -87.31 -156.69 0.35 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.076 0.465 . . . . 0.0 110.87 179.528 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.407 ' H ' ' HB2' ' A' ' 35' ' ' SER . 62.8 tttp -125.26 -35.85 2.56 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.626 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 61.0 mt -54.63 -55.06 17.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -178.563 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.446 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 23.5 tp -140.76 23.03 2.29 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.758 0.79 . . . . 0.0 109.701 -179.756 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.461 ' HG3' HG13 ' A' ' 13' ' ' VAL . 26.1 mmm180 53.28 28.79 7.65 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 114.659 -1.155 . . . . 0.0 111.099 -179.123 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 63.1 mtt-85 -67.42 143.44 56.28 Favored 'General case' 0 N--CA 1.449 -0.475 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 179.073 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.497 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 39.6 t -72.86 99.57 2.69 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.579 -178.61 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.747 HD13 ' HB3' ' A' ' 35' ' ' SER . 10.4 mp -82.35 112.65 19.52 Favored 'General case' 0 CA--C 1.515 -0.386 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 178.388 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.606 ' HB3' ' CG ' ' A' ' 29' ' ' PHE . 88.7 m -95.77 135.9 36.88 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.603 -179.452 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.528 ' HA ' ' O ' ' A' ' 3' ' ' CYS . 7.1 p -117.2 138.36 51.74 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 109.754 -0.462 . . . . 0.0 109.754 178.839 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.487 ' HB3' ' HA ' ' A' ' 29' ' ' PHE . 7.5 pttp -160.09 177.48 10.66 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.361 0.601 . . . . 0.0 110.838 -179.359 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.536 ' CD ' ' H ' ' A' ' 46' ' ' GLU . 0.4 OUTLIER -82.51 132.53 35.2 Favored 'General case' 0 C--N 1.312 -1.033 0 CA-C-N 114.384 -1.28 . . . . 0.0 112.488 -179.118 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.257 1.452 0 CA-C-O 117.592 -1.194 . . . . 0.0 109.008 177.319 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 25.8 m . . . . . 0 N--CA 1.454 -0.256 0 CA-C-O 121.37 0.605 . . . . 0.0 110.071 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 94.0 m -97.72 146.11 25.68 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.435 -179.52 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.603 ' HB3' HG23 ' A' ' 44' ' ' THR . 24.3 pttm -150.12 138.79 20.75 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.276 0.56 . . . . 0.0 111.399 179.65 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -161.44 149.99 15.76 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 114.631 -1.168 . . . . 0.0 108.473 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.646 ' OE1' ' HD3' ' A' ' 40' ' ' ARG . 7.5 mt-10 -62.55 143.32 57.36 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.705 0.288 . . . . 0.0 110.582 -179.04 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 34.9 t -56.11 129.35 73.24 Favored Pre-proline 0 C--N 1.325 -0.475 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.073 -179.491 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -52.71 -41.49 69.03 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 123.154 2.569 . . . . 0.0 112.489 -179.036 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 37.7 p -93.66 50.52 1.47 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.584 179.335 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . 0.404 ' HH2' ' HB2' ' A' ' 19' ' ' PRO . 6.4 t-105 -155.9 135.02 12.11 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.03 0.443 . . . . 0.0 110.562 -179.502 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -150.96 -28.18 0.2 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.63 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.3 m -72.64 175.31 6.49 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.327 -0.852 . . . . 0.0 112.626 -178.119 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.579 HG13 ' HB3' ' A' ' 39' ' ' ARG . 86.2 t -78.18 126.53 38.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.202 -0.908 . . . . 0.0 111.088 -179.657 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.435 ' HB3' ' O ' ' A' ' 39' ' ' ARG . 0.1 OUTLIER -75.54 137.75 41.06 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.442 179.742 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 61.6 mt -98.67 -38.71 7.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.507 179.447 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.65 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 46.2 t30 -144.63 157.25 44.29 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.394 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.482 ' O ' HG23 ' A' ' 21' ' ' VAL . 58.7 tttm -63.82 -33.56 75.96 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 -178.62 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.734 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 88.4 tttt -51.39 -57.58 13.73 Favored Pre-proline 0 N--CA 1.472 0.637 0 N-CA-C 112.2 0.444 . . . . 0.0 112.2 -178.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.734 ' HD3' ' HB3' ' A' ' 18' ' ' LYS . 72.3 Cg_exo -52.33 -40.51 70.35 Favored 'Trans proline' 0 C--N 1.359 1.093 0 C-N-CA 122.335 2.023 . . . . 0.0 111.984 179.297 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 46.0 t -62.94 -49.45 74.7 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.363 179.557 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 17' ' ' LYS . 89.2 t -57.9 -38.48 66.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.769 179.281 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.74 -46.32 88.61 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.84 0.352 . . . . 0.0 110.441 179.269 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.628 ' HA ' ' HE2' ' A' ' 26' ' ' LYS . 4.6 t -62.07 -44.52 96.51 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.636 0.732 . . . . 0.0 109.772 179.174 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 71.2 m -66.17 -42.3 89.13 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.17 -0.923 . . . . 0.0 112.004 -179.647 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -62.23 -45.76 91.88 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.824 -0.171 . . . . 0.0 111.012 -179.366 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.628 ' HE2' ' HA ' ' A' ' 23' ' ' CYS . 52.9 pttt -66.64 -29.04 68.97 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.87 0.367 . . . . 0.0 110.228 178.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -80.66 7.39 10.27 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.508 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.9 ttpt 72.72 36.08 0.99 Allowed 'General case' 0 CA--C 1.54 0.595 0 CA-C-O 121.369 0.604 . . . . 0.0 111.886 178.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 42.5 m-85 -113.46 146.63 39.26 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 177.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -71.77 -43.73 65.23 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 112.67 0.619 . . . . 0.0 112.67 -178.132 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -132.71 163.73 28.34 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.26 0.553 . . . . 0.0 111.589 -178.31 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -145.07 127.36 2.85 Favored Glycine 0 N--CA 1.44 -1.057 0 N-CA-C 109.97 -1.252 . . . . 0.0 109.97 178.129 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 33.1 p-80 -135.47 132.23 37.11 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.162 0.506 . . . . 0.0 110.968 -178.651 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 36.0 m -74.1 129.54 38.05 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.839 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.749 ' HB2' HD13 ' A' ' 42' ' ' LEU . 28.3 t -66.28 166.25 12.47 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.373 -179.376 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -88.82 -24.82 22.48 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.575 179.672 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.413 ' H ' HG13 ' A' ' 37' ' ' ILE . 9.2 mt -69.98 -104.5 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.535 -178.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.426 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 22.3 tp -79.05 13.34 1.82 Allowed 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 121.461 0.648 . . . . 0.0 110.775 -179.658 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.579 ' HB3' HG13 ' A' ' 13' ' ' VAL . 21.9 tpt180 59.44 29.11 18.63 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.012 -0.994 . . . . 0.0 110.688 179.682 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.646 ' HD3' ' OE1' ' A' ' 6' ' ' GLU . 44.3 mtt-85 -71.72 146.77 47.96 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.866 179.557 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.578 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 35.9 t -78.57 108.1 11.72 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -178.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.749 HD13 ' HB2' ' A' ' 35' ' ' SER . 9.8 mp -93.55 122.18 35.72 Favored 'General case' 0 CA--C 1.52 -0.178 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 178.28 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.6 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 82.1 m -97.16 129.35 44.54 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.661 -179.24 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.603 HG23 ' HB3' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -110.65 146.27 36.49 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.513 179.227 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.5 169.39 21.91 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.081 0.467 . . . . 0.0 110.806 179.606 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.419 ' H ' ' CD ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -79.64 152.47 29.98 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.68 177.648 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 24.5 p . . . . . 0 C--O 1.252 1.223 0 CA-C-O 117.421 -1.276 . . . . 0.0 109.042 179.847 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.0 m . . . . . 0 N--CA 1.451 -0.405 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.423 ' O ' ' HA ' ' A' ' 44' ' ' THR . 29.5 m -89.98 132.84 35.14 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.016 0.436 . . . . 0.0 111.217 -179.373 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.545 ' HD2' ' N ' ' A' ' 5' ' ' ALA . 0.4 OUTLIER -122.2 131.27 53.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.738 -179.666 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.545 ' N ' ' HD2' ' A' ' 4' ' ' LYS . . . -160.77 134.52 6.88 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 178.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.537 ' OE2' ' HG ' ' A' ' 42' ' ' LEU . 10.0 mp0 -65.52 139.78 58.51 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 -179.62 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 36.8 t -52.85 124.67 36.75 Favored Pre-proline 0 C--N 1.323 -0.554 0 O-C-N 123.511 0.507 . . . . 0.0 110.216 -179.306 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -54.77 -42.78 65.41 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.947 2.432 . . . . 0.0 112.35 -178.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 23.0 p -91.14 46.32 1.31 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.722 179.368 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 37.4 t-105 -142.59 121.56 12.82 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.13 0.491 . . . . 0.0 111.141 -179.589 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -150.63 57.27 0.93 Allowed 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 178.729 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 46.1 m -151.23 176.7 10.96 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.542 -178.716 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.477 HG13 ' HG2' ' A' ' 39' ' ' ARG . 76.0 t -78.65 117.07 23.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.409 -179.44 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.717 ' SG ' ' HB2' ' A' ' 20' ' ' CYS . 10.9 t -89.36 116.54 27.63 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.817 -0.628 . . . . 0.0 109.465 179.325 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 63.7 mt -113.83 -52.56 5.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 121.053 0.454 . . . . 0.0 110.318 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.547 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 51.2 t30 -91.23 143.69 26.39 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.437 179.666 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.53 ' O ' HG23 ' A' ' 21' ' ' VAL . 25.1 tptp -61.47 -42.47 98.83 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.693 -0.685 . . . . 0.0 112.445 -178.832 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.638 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 88.6 tttt -51.23 -55.5 28.05 Favored Pre-proline 0 CA--C 1.542 0.662 0 N-CA-C 113.625 0.972 . . . . 0.0 113.625 -178.055 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.638 ' HD3' ' HB3' ' A' ' 18' ' ' LYS . 92.4 Cg_exo -49.15 -45.48 29.43 Favored 'Trans proline' 0 C--N 1.357 0.99 0 C-N-CA 122.469 2.112 . . . . 0.0 112.766 -179.696 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.717 ' HB2' ' SG ' ' A' ' 14' ' ' CYS . 21.2 t -65.65 -49.24 69.36 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.718 -0.673 . . . . 0.0 110.648 -179.835 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.53 HG23 ' O ' ' A' ' 17' ' ' LYS . 65.1 t -57.07 -39.05 63.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.692 179.386 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.513 ' O ' ' HG2' ' A' ' 26' ' ' LYS . . . -62.98 -49.56 74.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.538 179.386 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.543 ' O ' ' HG3' ' A' ' 26' ' ' LYS . 4.9 t -60.6 -44.43 96.29 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-O 121.505 0.669 . . . . 0.0 109.896 179.335 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.565 ' SG ' ' HA3' ' A' ' 32' ' ' GLY . 83.3 m -66.6 -37.93 85.92 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.865 -179.84 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.426 ' HD3' ' HA ' ' A' ' 25' ' ' LYS . 0.1 OUTLIER -64.42 -45.4 87.71 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 121.221 -0.192 . . . . 0.0 110.835 -179.239 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.543 ' HG3' ' O ' ' A' ' 23' ' ' CYS . 13.4 ptmt -67.11 -30.39 70.4 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 121.063 0.459 . . . . 0.0 109.763 178.151 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.26 -6.29 47.03 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.844 179.058 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.613 ' NZ ' ' HB2' ' A' ' 28' ' ' LYS . 1.6 ttmp? 78.93 36.02 0.18 Allowed 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 123.902 0.881 . . . . 0.0 111.718 179.21 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.431 ' CG ' ' HB3' ' A' ' 43' ' ' CYS . 25.1 m-85 -109.28 149.04 30.04 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 178.231 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 23.7 t -61.18 -48.51 81.2 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.076 0.399 . . . . 0.0 112.076 -178.454 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -156.11 153.56 29.54 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.794 0.331 . . . . 0.0 111.52 -179.119 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.565 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -121.51 144.38 16.49 Favored Glycine 0 N--CA 1.447 -0.623 0 CA-C-N 115.753 -0.658 . . . . 0.0 112.211 179.723 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 24.0 p-80 -135.64 133.67 38.43 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.762 0.315 . . . . 0.0 110.734 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.416 ' HB3' ' HB3' ' A' ' 14' ' ' CYS . 43.2 m -66.79 132.9 49.03 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.323 -179.632 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.833 ' HB2' HD13 ' A' ' 42' ' ' LEU . 37.3 t -77.02 156.13 32.06 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.572 179.583 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 48.7 tttm -88.07 -25.86 22.84 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.305 179.207 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.412 ' HB ' ' H ' ' A' ' 38' ' ' LEU . 10.3 mt -68.85 -102.16 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.06 -179.267 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.412 ' H ' ' HB ' ' A' ' 37' ' ' ILE . 21.4 tp -82.98 13.81 3.73 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.46 0.647 . . . . 0.0 110.723 -179.742 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.562 ' HA ' ' O ' ' A' ' 35' ' ' SER . 0.2 OUTLIER 58.26 29.06 17.5 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.048 -0.978 . . . . 0.0 111.911 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 80.2 mtt-85 -72.85 150.57 42.56 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.985 -0.286 . . . . 0.0 110.446 178.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.445 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 26.0 t -80.72 106.31 12.63 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.559 -0.291 . . . . 0.0 110.308 179.75 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.833 HD13 ' HB2' ' A' ' 35' ' ' SER . 10.7 mp -87.21 119.57 27.59 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.119 179.668 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.431 ' HB3' ' CG ' ' A' ' 29' ' ' PHE . 82.6 m -98.69 135.72 39.78 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-O 120.928 0.394 . . . . 0.0 110.428 179.703 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.423 ' HA ' ' O ' ' A' ' 3' ' ' CYS . 0.5 OUTLIER -123.17 141.04 52.39 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.23 179.579 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.818 ' HB2' ' HZ2' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -155.83 173.62 16.49 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.629 0.728 . . . . 0.0 111.143 -179.335 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 11.0 pm0 -78.35 147.25 34.25 Favored 'General case' 0 C--N 1.31 -1.14 0 CA-C-N 113.906 -1.497 . . . . 0.0 110.878 -179.5 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 30.0 p . . . . . 0 C--O 1.254 1.316 0 CA-C-O 117.731 -1.128 . . . . 0.0 108.422 179.583 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.0 m . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 121.078 0.466 . . . . 0.0 109.977 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 58.2 m -90.07 133.46 34.83 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.734 -0.667 . . . . 0.0 111.589 -178.42 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.541 ' HD2' ' N ' ' A' ' 5' ' ' ALA . 0.5 OUTLIER -134.93 131.02 36.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.885 -179.461 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.541 ' N ' ' HD2' ' A' ' 4' ' ' LYS . . . -156.88 141.61 16.89 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.427 179.314 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -64.75 139.53 58.77 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.452 ' HB2' ' SG ' ' A' ' 43' ' ' CYS . 34.6 t -57.13 123.16 58.66 Favored Pre-proline 0 C--N 1.322 -0.603 0 O-C-N 123.253 0.346 . . . . 0.0 110.313 -179.5 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -58.39 -41.77 62.35 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.831 2.354 . . . . 0.0 111.904 -179.395 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 40.8 p -87.19 46.27 1.36 Allowed 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.543 179.396 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 50.6 t-105 -144.43 124.54 13.65 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.672 -178.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -150.31 60.06 0.96 Allowed 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 179.208 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 57.7 m -160.45 162.51 33.2 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.349 -178.626 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.751 HG13 ' HB3' ' A' ' 39' ' ' ARG . 95.2 t -78.93 127.35 39.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 178.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.423 ' HB3' ' HG3' ' A' ' 39' ' ' ARG . 5.3 t -68.55 135.19 51.16 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.258 0.551 . . . . 0.0 112.082 -178.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 51.2 mm -105.01 -40.08 5.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.676 178.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.641 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 20.5 t-20 -140.69 156.02 46.33 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.467 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.489 ' O ' HG23 ' A' ' 21' ' ' VAL . 57.8 tttm -63.71 -34.56 78.13 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 111.97 0.359 . . . . 0.0 111.97 -179.14 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.708 ' HB2' ' HD3' ' A' ' 19' ' ' PRO . 57.9 mtpt -50.27 -57.97 11.21 Favored Pre-proline 0 N--CA 1.472 0.642 0 N-CA-C 112.252 0.464 . . . . 0.0 112.252 -179.16 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.708 ' HD3' ' HB2' ' A' ' 18' ' ' LYS . 81.3 Cg_exo -50.55 -41.13 53.93 Favored 'Trans proline' 0 C--N 1.359 1.091 0 C-N-CA 122.392 2.061 . . . . 0.0 112.177 179.222 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 47.8 t -64.46 -50.09 68.88 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.627 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.489 HG23 ' O ' ' A' ' 17' ' ' LYS . 60.7 t -58.15 -41.2 80.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.47 179.326 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.04 -42.92 99.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.13 0.491 . . . . 0.0 110.169 179.242 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.713 ' HA ' ' HZ2' ' A' ' 26' ' ' LYS . 8.0 t -63.56 -51.57 64.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.647 179.045 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.52 ' SG ' ' HA3' ' A' ' 32' ' ' GLY . 84.3 m -60.5 -39.95 89.6 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.114 -0.948 . . . . 0.0 111.759 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.92 -40.36 96.29 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.738 -179.493 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.713 ' HZ2' ' HA ' ' A' ' 23' ' ' CYS . 6.1 ptpp? -68.34 -29.32 68.03 Favored 'General case' 0 CA--C 1.529 0.166 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 178.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -82.81 7.81 14.11 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.096 179.414 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 75.1 tttt 67.7 36.12 3.74 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 115.569 -0.741 . . . . 0.0 112.303 179.081 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -104.21 146.58 28.57 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.257 -0.645 . . . . 0.0 109.257 177.659 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.2 m -57.96 -49.28 77.33 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.254 -0.43 . . . . 0.0 112.114 -178.461 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -157.98 150.42 22.39 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.882 0.372 . . . . 0.0 111.24 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.52 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -113.06 141.39 16.89 Favored Glycine 0 N--CA 1.445 -0.711 0 CA-C-N 115.852 -0.613 . . . . 0.0 112.657 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.495 ' HE1' HG23 ' A' ' 44' ' ' THR . 40.4 p-80 -133.62 129.23 36.64 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.202 0.525 . . . . 0.0 110.22 179.292 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 61.8 m -75.04 142.27 43.8 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.895 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.425 ' HB3' ' CD1' ' A' ' 42' ' ' LEU . 5.6 p -79.39 -157.03 0.12 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.811 0.339 . . . . 0.0 110.701 179.651 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.403 ' H ' ' HB2' ' A' ' 35' ' ' SER . 40.9 ttmt -129.02 -46.75 1.23 Allowed 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 111.891 0.33 . . . . 0.0 111.891 -179.809 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 62.7 mt -61.3 -66.85 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 CA-C-O 120.738 0.304 . . . . 0.0 111.754 -178.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.568 ' HB3' ' HG2' ' A' ' 40' ' ' ARG . 28.6 tp -91.78 -12.49 33.67 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.362 0.601 . . . . 0.0 109.779 179.82 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.751 ' HB3' HG13 ' A' ' 13' ' ' VAL . 8.2 tpt180 61.08 32.75 19.72 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 114.949 -1.023 . . . . 0.0 110.982 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.568 ' HG2' ' HB3' ' A' ' 38' ' ' LEU . 10.7 ptt85 -83.08 163.23 21.04 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.791 178.321 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 40.3 t -85.2 107.21 17.15 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 -178.482 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.427 ' HB3' ' HD3' ' A' ' 4' ' ' LYS . 10.0 mp -89.98 119.86 30.7 Favored 'General case' 0 C--N 1.334 -0.1 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 177.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.507 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 86.3 m -96.53 136.77 36.58 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-O 120.888 0.375 . . . . 0.0 110.956 -179.814 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.495 HG23 ' HE1' ' A' ' 33' ' ' HIS . 0.1 OUTLIER -123.05 137.79 54.85 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.436 179.241 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 14.4 pttp -162.37 164.14 27.47 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.939 179.506 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.411 ' H ' ' HG2' ' A' ' 46' ' ' GLU . 0.8 OUTLIER -80.67 136.4 36.19 Favored 'General case' 0 C--N 1.313 -0.978 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.872 179.153 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.244 0.766 0 CA-C-O 118.671 -0.681 . . . . 0.0 109.258 178.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.654 ' HA ' ' OXT' ' A' ' 47' ' ' CYS . . . . . . . . 0 N--CA 1.477 0.904 0 CA-C-O 121.095 0.474 . . . . 0.0 110.637 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 12.5 m -152.77 123.8 7.49 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 59.2 m -121.89 138.16 54.51 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.813 0.34 . . . . 0.0 111.167 -179.314 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.745 ' HD2' HD23 ' A' ' 42' ' ' LEU . 12.0 ttpp -131.11 139.47 49.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.674 -179.684 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -158.53 129.71 6.39 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 178.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.643 ' OE1' ' HG ' ' A' ' 42' ' ' LEU . 0.1 OUTLIER -69.26 141.72 54.32 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 -178.452 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.774 ' SG ' ' HB2' ' A' ' 10' ' ' TRP . 0.7 OUTLIER -46.4 122.52 6.73 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.177 0.923 . . . . 0.0 110.199 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -54.4 -45.09 43.62 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.988 2.458 . . . . 0.0 112.404 -178.359 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.9 p -89.52 44.5 1.21 Allowed 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.411 179.063 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.774 ' HB2' ' SG ' ' A' ' 7' ' ' CYS . 23.5 t-105 -136.98 115.54 11.98 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-O 121.058 0.456 . . . . 0.0 111.236 -178.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -150.36 51.44 0.89 Allowed 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.905 0.86 . . . . 0.0 108.806 178.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.4 m -154.0 172.96 16.63 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.136 -0.938 . . . . 0.0 110.077 -179.049 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 85.7 t -78.57 122.86 34.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.133 -179.457 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.564 ' HB3' ' HG3' ' A' ' 39' ' ' ARG . 0.7 OUTLIER -74.24 128.06 34.57 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.806 -0.633 . . . . 0.0 111.025 179.372 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 62.3 mt -98.42 -35.6 5.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.457 179.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.613 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 18.6 t-20 -139.53 152.42 46.9 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.151 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.564 ' O ' HG23 ' A' ' 21' ' ' VAL . 57.6 tttm -64.34 -36.19 83.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.257 -0.429 . . . . 0.0 112.05 -178.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.653 ' HB2' ' HD3' ' A' ' 19' ' ' PRO . 55.5 mtmt -48.69 -56.82 13.08 Favored Pre-proline 0 N--CA 1.472 0.639 0 N-CA-C 112.748 0.647 . . . . 0.0 112.748 -178.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.653 ' HD3' ' HB2' ' A' ' 18' ' ' LYS . 91.9 Cg_exo -49.07 -45.47 29.2 Favored 'Trans proline' 0 C--N 1.358 1.058 0 C-N-CA 122.455 2.103 . . . . 0.0 112.087 179.307 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 43.5 t -63.5 -51.83 63.88 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.12 -0.945 . . . . 0.0 110.68 179.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.564 HG23 ' O ' ' A' ' 17' ' ' LYS . 46.8 t -57.14 -37.68 56.97 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.094 179.298 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.06 -48.14 82.67 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.151 178.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 23.1 t -63.02 -49.55 74.18 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-O 121.187 0.518 . . . . 0.0 110.303 179.021 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.678 ' SG ' ' HA3' ' A' ' 32' ' ' GLY . 85.3 m -56.66 -41.36 77.11 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.445 -179.269 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.444 ' HE2' HG12 ' A' ' 21' ' ' VAL . 54.7 mtmt -63.81 -47.09 82.22 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 121.165 -0.214 . . . . 0.0 110.995 179.413 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.44 ' HB2' ' HE2' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -71.56 -12.33 61.31 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 120.615 -0.434 . . . . 0.0 110.832 179.444 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -95.8 -1.21 50.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.342 179.308 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 34.0 ttpt 72.52 49.46 0.2 Allowed 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.582 179.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -121.45 147.82 45.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.374 -0.83 . . . . 0.0 109.057 178.176 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.548 ' OG ' ' HA ' ' A' ' 45' ' ' LYS . 1.4 m -58.89 -47.7 84.01 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -178.393 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -164.19 151.36 11.81 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.779 0.323 . . . . 0.0 110.785 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.678 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -115.03 141.84 17.28 Favored Glycine 0 N--CA 1.446 -0.658 0 CA-C-N 115.959 -0.564 . . . . 0.0 112.342 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 21.1 p80 -133.35 129.88 38.05 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 121.314 0.578 . . . . 0.0 110.42 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 62.8 m -72.49 133.82 45.0 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.37 -179.279 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.616 ' HB2' HD13 ' A' ' 42' ' ' LEU . 28.6 t -70.74 162.96 28.17 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.595 -0.729 . . . . 0.0 111.063 -179.506 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 37.2 ttmt -89.36 -29.85 18.81 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.397 179.177 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.456 ' HB ' ' H ' ' A' ' 38' ' ' LEU . 8.6 mt -69.45 -100.64 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.816 -178.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.456 ' H ' ' HB ' ' A' ' 37' ' ' ILE . 21.4 tp -75.82 2.42 12.34 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-O 121.231 0.538 . . . . 0.0 111.177 -179.138 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.564 ' HG3' ' HB3' ' A' ' 14' ' ' CYS . 23.5 tpt180 63.49 29.75 15.34 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.165 -0.925 . . . . 0.0 111.43 179.115 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.454 ' NE ' HD23 ' A' ' 38' ' ' LEU . 84.3 mtt-85 -71.48 155.85 40.12 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.656 178.741 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.499 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 13.2 t -85.12 102.73 13.5 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.5 179.33 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.745 HD23 ' HD2' ' A' ' 4' ' ' LYS . 10.1 mp -88.44 114.45 25.07 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 110.177 -0.305 . . . . 0.0 110.177 179.657 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.453 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 78.0 m -92.88 132.74 36.76 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 179.147 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -121.08 143.6 48.99 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.623 -179.776 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.548 ' HA ' ' OG ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -155.42 171.29 20.13 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.394 0.616 . . . . 0.0 111.379 -179.63 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.606 ' CD ' ' H ' ' A' ' 46' ' ' GLU . 0.4 OUTLIER -78.02 148.24 34.45 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 114.479 -1.237 . . . . 0.0 110.753 179.861 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.654 ' OXT' ' HA ' ' A' ' 1' ' ' ALA . 30.2 p . . . . . 0 C--O 1.244 0.81 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.99 0 N-CA-C 110.195 -0.298 . . . . 0.0 110.195 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.4 m -115.58 110.57 19.41 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 52.1 m -96.07 129.97 43.22 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.429 -179.174 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.761 ' HD2' HD23 ' A' ' 42' ' ' LEU . 6.5 ttpp -114.4 135.63 53.88 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.147 179.216 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -160.29 132.65 6.29 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 179.129 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.609 ' HG3' HD12 ' A' ' 42' ' ' LEU . 47.7 mp0 -66.72 137.68 56.85 Favored 'General case' 0 N--CA 1.443 -0.814 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 -179.686 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.429 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 31.0 t -51.56 125.59 28.28 Favored Pre-proline 0 C--N 1.322 -0.598 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.503 -178.731 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 7' ' ' CYS . 47.9 Cg_exo -56.47 -43.08 58.86 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.866 2.377 . . . . 0.0 112.406 -178.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 35.9 p -87.82 50.68 2.04 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.815 179.479 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.797 ' HZ2' ' HB2' ' A' ' 14' ' ' CYS . 58.6 t-105 -135.58 115.7 13.32 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.601 -179.577 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 46.9 t0 -150.75 62.97 0.93 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.683 0.754 . . . . 0.0 109.134 179.414 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 56.4 m -158.92 161.94 36.82 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.0 -178.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 60.9 t -77.69 115.46 19.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 179.659 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.797 ' HB2' ' HZ2' ' A' ' 10' ' ' TRP . 15.9 t -86.55 144.53 27.17 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.613 -0.721 . . . . 0.0 112.399 -178.524 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 70.1 mt -130.76 -61.09 0.84 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.425 0 CA-C-N 115.348 -0.842 . . . . 0.0 108.934 178.384 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.451 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 16.9 t-20 -81.12 146.78 30.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.509 -0.769 . . . . 0.0 109.24 178.688 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.61 ' HD2' ' HB3' ' A' ' 34' ' ' CYS . 35.1 mmtt -77.75 -29.02 50.83 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -178.406 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.583 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 28.0 ttpp -51.27 -51.8 65.16 Favored Pre-proline 0 CA--C 1.539 0.557 0 N-CA-C 112.281 0.474 . . . . 0.0 112.281 -179.645 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.583 ' HD3' ' HB3' ' A' ' 18' ' ' LYS . 99.3 Cg_exo -49.5 -43.09 40.22 Favored 'Trans proline' 0 C--N 1.361 1.191 0 C-N-CA 122.56 2.173 . . . . 0.0 112.04 179.183 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 47.1 t -65.34 -51.8 58.12 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.232 -0.895 . . . . 0.0 111.016 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 85.6 t -53.99 -41.21 48.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.766 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.38 -44.15 95.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.978 0.418 . . . . 0.0 110.362 178.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.658 ' HA ' ' HE2' ' A' ' 26' ' ' LYS . 3.0 t -62.44 -44.15 97.11 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.874 179.114 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.778 ' SG ' ' HA3' ' A' ' 32' ' ' GLY . 74.9 m -66.04 -41.06 91.38 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.797 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.619 ' HE3' ' O ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -62.9 -46.4 87.98 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.607 -0.269 . . . . 0.0 111.283 -179.628 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.658 ' HE2' ' HA ' ' A' ' 23' ' ' CYS . 50.6 pttt -67.1 -29.15 68.82 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.197 178.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -78.98 4.48 14.19 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.435 179.507 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.405 ' HE3' ' HB2' ' A' ' 28' ' ' LYS . 33.2 ttmt 68.96 39.37 1.82 Allowed 'General case' 0 C--O 1.238 0.467 0 C-N-CA 123.243 0.617 . . . . 0.0 112.051 178.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -107.31 148.49 28.95 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 177.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.63 ' OG ' ' HA ' ' A' ' 45' ' ' LYS . 1.6 m -55.6 -41.84 73.98 Favored 'General case' 0 C--N 1.329 -0.315 0 O-C-N 123.342 0.401 . . . . 0.0 111.057 -178.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -172.36 170.75 4.93 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 178.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.778 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -141.02 152.93 23.53 Favored Glycine 0 C--N 1.314 -0.664 0 C-N-CA 120.546 -0.835 . . . . 0.0 112.879 -178.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 22.9 p80 -135.67 128.75 31.62 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.864 0.84 . . . . 0.0 110.787 -179.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.61 ' HB3' ' HD2' ' A' ' 17' ' ' LYS . 53.6 t -69.07 126.41 29.71 Favored 'General case' 0 C--N 1.31 -1.111 0 CA-C-N 114.476 -1.238 . . . . 0.0 110.221 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.612 ' HB3' HD13 ' A' ' 42' ' ' LEU . 72.7 p -80.64 149.55 29.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.983 0.42 . . . . 0.0 111.059 -179.615 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -87.9 -27.54 22.11 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.83 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 51.9 mt -64.69 -82.59 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.903 -0.59 . . . . 0.0 112.565 -178.596 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.591 HD23 ' HD3' ' A' ' 40' ' ' ARG . 20.1 tp -93.19 3.32 55.87 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -178.133 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.688 ' HB3' ' H ' ' A' ' 14' ' ' CYS . 11.4 mpt_? 62.95 28.78 16.43 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.445 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.591 ' HD3' HD23 ' A' ' 38' ' ' LEU . 57.9 mtm180 -88.33 151.5 22.57 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 178.736 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.599 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 41.5 t -82.1 100.97 10.09 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.587 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.761 HD23 ' HD2' ' A' ' 4' ' ' LYS . 10.7 mp -86.06 113.0 21.78 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 110.266 -0.272 . . . . 0.0 110.266 179.604 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.439 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 66.3 m -97.04 141.6 29.99 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.429 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.9 p -125.75 139.32 53.62 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.247 179.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.63 ' HA ' ' OG ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -150.62 167.83 26.1 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 120.976 0.417 . . . . 0.0 110.529 -179.948 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.601 ' CD ' ' H ' ' A' ' 46' ' ' GLU . 0.4 OUTLIER -78.26 143.07 37.39 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.694 179.943 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 20.8 p . . . . . 0 C--O 1.242 0.674 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 -179.961 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.548 ' O ' ' HA ' ' A' ' 46' ' ' GLU . . . . . . . . 0 N--CA 1.484 1.227 0 N-CA-C 110.302 -0.259 . . . . 0.0 110.302 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.3 m -88.28 122.69 32.09 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 110.086 -0.339 . . . . 0.0 110.086 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 73.1 m -129.06 135.41 48.88 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.022 0.439 . . . . 0.0 111.598 -178.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.8 ' HD2' HD23 ' A' ' 42' ' ' LEU . 6.2 ttpp -139.59 138.46 36.21 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.25 179.63 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -162.39 132.42 4.62 Favored 'General case' 0 C--N 1.315 -0.896 0 N-CA-C 108.809 -0.812 . . . . 0.0 108.809 179.007 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.67 ' HG3' HD12 ' A' ' 42' ' ' LEU . 30.8 mp0 -64.45 138.38 58.38 Favored 'General case' 0 N--CA 1.443 -0.816 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 -179.812 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.425 ' HA ' ' HD2' ' A' ' 8' ' ' PRO . 31.5 t -48.52 122.09 10.2 Favored Pre-proline 0 C--N 1.322 -0.611 0 O-C-N 123.853 0.721 . . . . 0.0 110.417 -178.442 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.425 ' HD2' ' HA ' ' A' ' 7' ' ' CYS . 9.5 Cg_endo -54.07 -34.92 79.77 Favored 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 123.326 2.684 . . . . 0.0 112.251 -178.816 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -98.31 47.26 0.99 Allowed 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.225 178.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.483 ' HZ2' ' HA ' ' A' ' 14' ' ' CYS . 11.7 t-105 -156.99 132.68 9.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.97 -179.599 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -147.63 -20.78 0.37 Allowed 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.867 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.1 m -77.48 179.73 6.31 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.521 -0.763 . . . . 0.0 112.753 -177.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.507 HG13 ' HB2' ' A' ' 39' ' ' ARG . 98.2 t -79.27 132.3 32.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.058 -0.974 . . . . 0.0 111.14 -179.81 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.782 ' H ' ' HB3' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -65.82 132.03 47.73 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.012 179.765 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 53.5 mt -98.53 -27.62 3.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.53 0.681 . . . . 0.0 109.637 179.311 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.57 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 18.3 t-20 -166.99 161.5 15.0 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.46 -0.791 . . . . 0.0 108.959 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.51 ' O ' HG23 ' A' ' 21' ' ' VAL . 54.7 tttm -63.7 -37.37 87.1 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 111.551 0.204 . . . . 0.0 111.551 -178.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.637 ' HB2' ' HD3' ' A' ' 19' ' ' PRO . 38.6 mtmm -51.15 -57.39 14.1 Favored Pre-proline 0 N--CA 1.471 0.584 0 CA-C-O 119.257 -0.401 . . . . 0.0 112.027 -179.48 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.637 ' HD3' ' HB2' ' A' ' 18' ' ' LYS . 90.2 Cg_exo -48.53 -43.91 31.83 Favored 'Trans proline' 0 C--N 1.359 1.103 0 C-N-CA 122.452 2.101 . . . . 0.0 112.023 178.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 48.9 t -64.36 -50.81 66.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.796 179.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.582 ' O ' ' HG2' ' A' ' 25' ' ' LYS . 70.8 t -55.82 -45.0 79.48 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.22 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.589 179.539 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.89 -44.05 91.1 Favored 'General case' 0 C--O 1.24 0.594 0 CA-C-O 121.173 0.511 . . . . 0.0 110.293 179.182 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 4.8 t -60.0 -46.97 87.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.151 178.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.638 ' SG ' ' HA3' ' A' ' 32' ' ' GLY . 78.1 m -66.21 -32.03 73.22 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.098 -0.955 . . . . 0.0 111.514 179.544 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.717 ' HE2' ' HA ' ' A' ' 25' ' ' LYS . 8.7 mmpt? -61.82 -52.06 65.73 Favored 'General case' 0 CA--C 1.518 -0.26 0 N-CA-C 110.182 -0.303 . . . . 0.0 110.182 179.778 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 24.1 pttm -68.96 -25.95 64.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.485 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -78.27 -3.26 41.96 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.925 178.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.421 ' HE3' ' HB2' ' A' ' 28' ' ' LYS . 33.0 ttmt 68.5 56.04 0.48 Allowed 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.639 179.419 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.737 ' HA ' ' HD3' ' A' ' 45' ' ' LYS . 34.1 m-85 -125.05 154.33 41.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.46 178.812 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.749 ' H ' ' HB3' ' A' ' 45' ' ' LYS . 19.9 m -62.84 -50.73 69.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.477 0.18 . . . . 0.0 111.354 -179.218 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -160.71 149.85 16.98 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.532 -0.303 . . . . 0.0 110.57 179.587 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.638 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -114.03 144.23 18.18 Favored Glycine 0 N--CA 1.445 -0.71 0 C-N-CA 121.057 -0.592 . . . . 0.0 112.015 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 24.0 p80 -136.26 129.27 31.27 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 121.316 0.579 . . . . 0.0 110.727 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 37.5 m -70.2 128.83 37.63 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.405 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.646 ' O ' ' HA ' ' A' ' 39' ' ' ARG . 24.1 p -75.5 163.07 27.76 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.857 0.36 . . . . 0.0 110.786 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 39.8 ttpt -89.23 -34.74 16.53 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.011 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 69.6 mt -53.08 -56.94 5.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 112.937 0.717 . . . . 0.0 112.937 -178.509 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.419 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 19.7 tp -138.08 19.5 2.8 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.506 0.669 . . . . 0.0 110.902 -179.027 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.782 ' HB3' ' H ' ' A' ' 14' ' ' CYS . 0.6 OUTLIER 55.62 28.5 12.08 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 114.949 -1.023 . . . . 0.0 112.214 -179.922 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 75.3 mtt-85 -71.37 143.84 50.07 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 178.159 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.503 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 43.5 t -76.76 96.49 4.25 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.372 -179.216 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.8 HD23 ' HD2' ' A' ' 4' ' ' LYS . 10.8 mp -84.4 114.97 22.28 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 179.117 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.458 ' HB3' ' CG ' ' A' ' 29' ' ' PHE . 81.7 m -92.81 133.59 35.9 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 179.361 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.421 HG23 ' HG3' ' A' ' 4' ' ' LYS . 0.8 OUTLIER -123.78 140.23 53.19 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.279 0.562 . . . . 0.0 111.954 -179.065 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.749 ' HB3' ' H ' ' A' ' 30' ' ' SER . 61.3 pttt -161.52 -156.23 0.43 Allowed 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.118 -0.946 . . . . 0.0 108.675 178.706 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.548 ' HA ' ' O ' ' A' ' 1' ' ' ALA . 0.4 OUTLIER -129.46 143.48 50.85 Favored 'General case' 0 N--CA 1.444 -0.742 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 178.894 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 15.6 p . . . . . 0 C--O 1.245 0.851 0 CA-C-O 118.849 -0.596 . . . . 0.0 109.817 -179.215 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.918 0 N-CA-C 110.482 -0.192 . . . . 0.0 110.482 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 17.9 m -145.36 114.21 6.88 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.093 0.473 . . . . 0.0 110.103 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 64.7 m -95.27 139.41 31.62 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.814 -179.261 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.602 ' HG3' HG23 ' A' ' 44' ' ' THR . 31.5 ttmt -132.6 132.19 42.24 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.5 -179.18 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -167.08 145.2 4.92 Favored 'General case' 0 C--N 1.322 -0.619 0 O-C-N 123.756 0.66 . . . . 0.0 109.226 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.47 ' HA ' ' O ' ' A' ' 41' ' ' CYS . 2.3 mp0 -64.08 146.4 54.25 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 -179.817 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 31.6 t -59.65 126.62 83.29 Favored Pre-proline 0 C--N 1.321 -0.669 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.062 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -54.17 -38.6 87.85 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 123.061 2.507 . . . . 0.0 112.229 -179.18 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 22.7 p -97.36 44.1 1.06 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.098 179.621 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.643 ' HH2' ' HB2' ' A' ' 19' ' ' PRO . 25.1 t-105 -146.41 116.36 7.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.008 0.432 . . . . 0.0 111.451 -179.576 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -151.11 67.76 0.92 Allowed 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.912 0.863 . . . . 0.0 108.753 177.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 48.8 m -156.78 168.98 25.81 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 114.988 -1.005 . . . . 0.0 109.607 -178.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 58.0 t -77.92 126.07 37.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.08 0.467 . . . . 0.0 110.714 -179.627 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -74.42 133.39 42.42 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.78 -179.696 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 47.5 mm -100.71 -38.29 6.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.435 178.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.719 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 20.3 t-20 -144.67 160.72 40.74 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 179.128 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.591 ' HE3' ' CG2' ' A' ' 21' ' ' VAL . 8.5 ttpt -72.73 -30.18 63.96 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.44 0.533 . . . . 0.0 112.44 -178.588 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.729 ' CG ' ' HD3' ' A' ' 19' ' ' PRO . 14.4 ptmm? -53.19 -45.73 98.16 Favored Pre-proline 0 CA--C 1.548 0.869 0 N-CA-C 113.385 0.883 . . . . 0.0 113.385 -178.408 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.729 ' HD3' ' CG ' ' A' ' 18' ' ' LYS . 49.4 Cg_exo -58.96 -40.62 69.71 Favored 'Trans proline' 0 C--N 1.362 1.253 0 C-N-CA 121.746 1.631 . . . . 0.0 111.071 178.53 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.3 t -62.25 -48.65 79.02 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 114.942 -1.026 . . . . 0.0 109.974 179.371 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.591 ' CG2' ' HE3' ' A' ' 17' ' ' LYS . 61.1 t -57.58 -38.03 61.77 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.148 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.885 179.13 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.52 ' O ' ' HG2' ' A' ' 26' ' ' LYS . . . -63.04 -48.58 78.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.217 179.382 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.593 ' O ' ' HG3' ' A' ' 26' ' ' LYS . 5.9 t -60.29 -45.58 92.87 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 121.551 0.691 . . . . 0.0 109.538 178.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.565 ' SG ' ' HA3' ' A' ' 32' ' ' GLY . 71.8 m -64.88 -38.4 90.83 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.222 -0.899 . . . . 0.0 111.659 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -63.81 -46.52 84.75 Favored 'General case' 0 C--N 1.329 -0.319 0 O-C-N 122.477 -0.14 . . . . 0.0 111.059 -179.301 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.593 ' HG3' ' O ' ' A' ' 23' ' ' CYS . 10.4 ptmt -66.92 -27.83 67.81 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 120.816 0.341 . . . . 0.0 110.267 178.731 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -84.58 10.42 11.1 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-O 121.039 0.447 . . . . 0.0 110.674 179.059 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 29.3 tptt 64.29 61.96 0.86 Allowed 'General case' 0 CA--C 1.537 0.46 0 CA-C-O 122.172 0.987 . . . . 0.0 111.533 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.742 ' HA ' ' HB3' ' A' ' 45' ' ' LYS . 70.3 m-85 -132.39 147.56 52.39 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 177.747 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.434 ' OG ' ' HA ' ' A' ' 45' ' ' LYS . 4.3 m -64.45 -48.75 74.11 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 111.971 0.36 . . . . 0.0 111.971 -178.31 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -160.48 139.54 10.57 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.473 -178.611 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.565 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -105.62 141.74 15.43 Favored Glycine 0 N--CA 1.447 -0.628 0 CA-C-N 115.587 -0.733 . . . . 0.0 112.363 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 19.8 p-80 -125.61 131.26 52.72 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 120.933 0.397 . . . . 0.0 110.504 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 87.1 m -67.07 139.43 57.57 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.35 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.788 ' O ' ' HA ' ' A' ' 39' ' ' ARG . 34.6 t -72.69 148.74 44.45 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.487 179.372 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -89.46 -38.4 14.08 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.756 0.312 . . . . 0.0 110.961 -179.72 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 48.9 mt -67.62 -72.19 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.022 -0.535 . . . . 0.0 112.376 -178.686 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 18.1 tp -86.96 -9.85 54.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.153 0.501 . . . . 0.0 110.947 -178.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.788 ' HA ' ' O ' ' A' ' 35' ' ' SER . 10.8 tpt180 64.82 33.34 10.25 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.144 -0.934 . . . . 0.0 111.558 179.756 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.566 ' H ' ' HB3' ' A' ' 35' ' ' SER . 57.8 mtm180 -83.79 -145.54 0.08 Allowed 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.205 178.123 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.47 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 8.9 t -137.71 114.33 10.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.828 0.347 . . . . 0.0 111.202 -179.795 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.47 HD13 ' HB2' ' A' ' 35' ' ' SER . 10.2 mp -101.41 125.15 48.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.733 179.281 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.52 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 59.4 m -99.75 137.49 38.15 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-O 120.821 0.343 . . . . 0.0 111.825 -178.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.602 HG23 ' HG3' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -123.34 143.58 50.0 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.008 178.835 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.742 ' HB3' ' HA ' ' A' ' 29' ' ' PHE . 1.0 OUTLIER -160.61 178.32 9.62 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.618 0.723 . . . . 0.0 112.023 -179.888 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.467 ' OE1' ' HB2' ' A' ' 45' ' ' LYS . 5.0 pm0 -79.28 140.64 37.54 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 113.962 -1.472 . . . . 0.0 111.263 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 31.5 p . . . . . 0 C--O 1.242 0.684 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 178.927 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.581 ' HA ' ' O ' ' A' ' 47' ' ' CYS . . . . . . . . 0 N--CA 1.478 0.97 0 CA-C-O 121.04 0.448 . . . . 0.0 110.482 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 16.9 m -152.09 124.99 8.52 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.275 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 16.8 m -103.88 132.83 49.75 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.583 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.566 ' HD3' ' HG ' ' A' ' 42' ' ' LEU . 0.4 OUTLIER -133.29 132.31 41.23 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 -179.694 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.561 ' N ' ' HD2' ' A' ' 4' ' ' LYS . . . -161.57 135.75 6.88 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 179.187 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.561 ' HG3' HD12 ' A' ' 42' ' ' LEU . 8.9 mp0 -69.07 145.43 53.46 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 -179.821 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.771 ' SG ' ' HB2' ' A' ' 10' ' ' TRP . 0.5 OUTLIER -48.6 124.24 11.93 Favored Pre-proline 0 C--N 1.322 -0.622 0 O-C-N 123.841 0.713 . . . . 0.0 110.336 179.674 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_endo -55.35 -43.89 54.09 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.908 2.405 . . . . 0.0 111.962 -178.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.1 p -91.97 48.56 1.44 Allowed 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.225 178.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.771 ' HB2' ' SG ' ' A' ' 7' ' ' CYS . 17.5 t-105 -137.69 116.74 12.49 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 121.308 0.575 . . . . 0.0 111.569 -178.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 47.9 p-10 -132.03 -4.18 3.54 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.134 179.497 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.6 t -100.6 -169.21 1.68 Allowed 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.79 -178.557 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 86.5 t -88.47 128.4 40.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.338 -0.846 . . . . 0.0 111.495 -179.464 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.475 ' HA ' ' HZ2' ' A' ' 10' ' ' TRP . 35.5 t -81.63 103.22 11.19 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 178.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 62.8 mt -98.4 -53.83 7.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-O 120.876 0.37 . . . . 0.0 110.705 -178.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.529 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 14.7 t-20 -101.7 144.74 30.03 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.075 179.795 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.439 ' O ' HG23 ' A' ' 21' ' ' VAL . 64.6 tttp -67.14 -33.6 75.79 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.809 -179.538 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.699 ' HB2' ' HD3' ' A' ' 19' ' ' PRO . 35.1 mmtp -52.52 -57.33 16.1 Favored Pre-proline 0 CA--C 1.539 0.525 0 N-CA-C 112.429 0.529 . . . . 0.0 112.429 -179.234 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.699 ' HD3' ' HB2' ' A' ' 18' ' ' LYS . 82.7 Cg_exo -51.32 -44.15 44.93 Favored 'Trans proline' 0 C--N 1.357 0.992 0 C-N-CA 122.533 2.156 . . . . 0.0 112.296 179.505 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 37.0 t -63.96 -52.41 59.79 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.711 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.451 HG12 ' HE3' ' A' ' 25' ' ' LYS . 92.7 t -57.52 -37.02 55.87 Favored 'Isoleucine or valine' 0 C--O 1.232 0.184 0 CA-C-O 120.809 0.338 . . . . 0.0 110.457 179.28 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.02 -44.73 96.98 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.156 178.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.627 ' O ' ' HG3' ' A' ' 26' ' ' LYS . 14.1 t -67.95 -43.96 77.9 Favored 'General case' 0 CA--C 1.514 -0.419 0 CA-C-O 121.469 0.652 . . . . 0.0 110.285 178.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.505 ' SG ' ' HA3' ' A' ' 32' ' ' GLY . 75.2 m -59.64 -44.29 93.56 Favored 'General case' 0 C--N 1.311 -1.07 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.415 -179.164 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.451 ' HE3' HG12 ' A' ' 21' ' ' VAL . 17.9 ptpt -66.52 -38.39 87.09 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.52 -0.472 . . . . 0.0 111.287 179.729 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.627 ' HG3' ' O ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -69.2 -22.19 63.9 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 120.336 -0.546 . . . . 0.0 110.285 178.937 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -96.79 9.65 41.15 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 121.183 0.516 . . . . 0.0 110.547 179.092 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 78.1 tttt 64.68 54.26 1.43 Allowed 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 115.302 -0.863 . . . . 0.0 112.345 179.294 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.752 ' HA ' ' HD3' ' A' ' 45' ' ' LYS . 35.3 m-85 -122.23 146.74 46.98 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 177.716 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.667 ' H ' ' HB3' ' A' ' 45' ' ' LYS . 6.3 m -63.95 -45.7 88.01 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 112.977 0.732 . . . . 0.0 112.977 -178.054 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -154.82 153.42 31.14 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.893 0.377 . . . . 0.0 111.854 -179.241 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.505 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -119.63 142.04 16.05 Favored Glycine 0 N--CA 1.447 -0.621 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.862 179.382 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 30.8 p80 -144.86 137.42 26.29 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.031 0.443 . . . . 0.0 111.277 -179.283 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 27.3 m -69.91 137.07 51.28 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.826 179.317 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.621 ' HB3' HD13 ' A' ' 42' ' ' LEU . 13.0 p -82.38 171.26 14.39 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.973 0.416 . . . . 0.0 111.292 -179.713 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -89.36 -31.32 17.83 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.43 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.499 ' HB ' ' H ' ' A' ' 38' ' ' LEU . 3.5 mt -67.72 -105.88 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 CA-C-O 121.25 0.548 . . . . 0.0 112.172 -178.347 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.499 ' H ' ' HB ' ' A' ' 37' ' ' ILE . 22.8 tp -73.0 4.03 4.71 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.223 -179.033 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.521 ' HD2' ' O ' ' A' ' 35' ' ' SER . 20.6 tpt180 62.37 32.64 16.82 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.191 -0.913 . . . . 0.0 110.695 179.818 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 68.9 mtt-85 -75.59 153.63 37.22 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.719 178.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.475 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 3.8 t -78.25 107.53 10.91 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 178.578 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.621 HD13 ' HB3' ' A' ' 35' ' ' SER . 9.8 mp -94.42 121.16 35.67 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.651 -0.249 . . . . 0.0 110.991 -179.824 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 72.7 m -96.13 134.42 39.22 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 178.345 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -129.02 141.72 51.14 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 120.967 0.413 . . . . 0.0 111.614 -178.781 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.752 ' HD3' ' HA ' ' A' ' 29' ' ' PHE . 59.9 pttt -160.72 157.26 26.67 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.715 179.459 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.6 pm0 -77.62 146.49 36.13 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-O 121.015 0.436 . . . . 0.0 110.555 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.581 ' O ' ' HA ' ' A' ' 1' ' ' ALA . 28.1 p . . . . . 0 C--O 1.252 1.218 0 CA-C-O 117.581 -1.199 . . . . 0.0 109.212 -179.638 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.644 ' HA ' ' OXT' ' A' ' 47' ' ' CYS . . . . . . . . 0 N--CA 1.479 0.995 0 CA-C-O 121.081 0.467 . . . . 0.0 110.518 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 11.4 m -152.23 125.14 8.51 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.432 ' O ' ' HA ' ' A' ' 44' ' ' THR . 34.6 m -116.87 132.97 56.56 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.019 0.438 . . . . 0.0 111.784 -178.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.545 ' HD2' ' N ' ' A' ' 5' ' ' ALA . 0.4 OUTLIER -113.29 128.35 56.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.518 -0.764 . . . . 0.0 109.607 179.611 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.545 ' N ' ' HD2' ' A' ' 4' ' ' LYS . . . -158.49 125.98 5.04 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 178.628 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.472 ' HG2' ' CD ' ' A' ' 40' ' ' ARG . 52.2 mp0 -63.25 143.44 57.79 Favored 'General case' 0 N--CA 1.446 -0.632 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 -179.656 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 35.8 t -51.89 128.08 36.35 Favored Pre-proline 0 C--N 1.324 -0.543 0 O-C-N 123.545 0.528 . . . . 0.0 110.54 -178.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_exo -52.47 -42.56 60.57 Favored 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 123.025 2.483 . . . . 0.0 112.413 -178.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 40.6 p -92.09 49.74 1.57 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.135 179.014 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 7.5 t-105 -154.28 135.98 14.41 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.478 -179.259 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -150.11 -29.84 0.22 Allowed 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.464 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 18.3 m -71.99 174.28 7.25 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.202 -0.908 . . . . 0.0 113.061 -177.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.468 HG13 ' HB3' ' A' ' 39' ' ' ARG . 69.0 t -78.1 130.23 36.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 114.868 -1.06 . . . . 0.0 110.91 -179.775 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -84.86 135.58 34.02 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.602 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.6 mp -99.82 -50.94 10.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.058 178.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.633 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 27.3 t30 -122.44 151.2 41.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.112 -179.452 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.463 ' HZ1' ' CG ' ' A' ' 31' ' ' ASP . 63.0 tttp -63.21 -33.91 76.52 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 -178.813 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.571 ' HB2' ' HD3' ' A' ' 19' ' ' PRO . 42.5 mmtm -50.52 -57.73 12.23 Favored Pre-proline 0 N--CA 1.474 0.732 0 N-CA-C 112.44 0.533 . . . . 0.0 112.44 -179.035 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.633 ' HD2' ' O ' ' A' ' 16' ' ' ASN . 85.8 Cg_exo -51.14 -42.3 53.95 Favored 'Trans proline' 0 C--N 1.358 1.026 0 C-N-CA 122.421 2.081 . . . . 0.0 112.136 179.225 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.7 t -62.81 -52.24 63.92 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.786 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 90.3 t -56.45 -41.43 72.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.836 179.619 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.46 -44.88 95.42 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 120.99 0.424 . . . . 0.0 110.539 179.327 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.642 ' HA ' ' HE2' ' A' ' 26' ' ' LYS . 2.9 t -63.44 -44.86 93.31 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 121.555 0.693 . . . . 0.0 109.791 179.16 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.485 ' HB3' ' HB2' ' A' ' 29' ' ' PHE . 79.0 m -65.44 -39.76 92.45 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.751 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.493 ' HD3' ' HA ' ' A' ' 25' ' ' LYS . 24.3 mmtp -64.92 -44.14 90.48 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 111.523 0.194 . . . . 0.0 111.523 -179.603 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.642 ' HE2' ' HA ' ' A' ' 23' ' ' CYS . 62.0 pttt -66.38 -31.43 72.19 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.605 -0.438 . . . . 0.0 110.173 179.213 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -84.94 4.79 31.9 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-O 120.899 0.381 . . . . 0.0 111.234 179.477 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.513 ' O ' ' HD3' ' A' ' 45' ' ' LYS . 7.8 tmtt? 66.55 70.84 0.4 Allowed 'General case' 0 C--O 1.233 0.201 0 C-N-CA 123.533 0.733 . . . . 0.0 111.386 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.585 ' HA ' ' HB3' ' A' ' 45' ' ' LYS . 60.2 m-85 -134.33 146.12 49.67 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.313 -0.858 . . . . 0.0 108.716 177.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.496 ' OG ' ' HA ' ' A' ' 45' ' ' LYS . 8.7 m -59.53 -46.49 88.7 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 111.841 0.312 . . . . 0.0 111.841 -178.577 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.463 ' CG ' ' HZ1' ' A' ' 17' ' ' LYS . 28.6 t70 -159.76 149.09 17.98 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.9 0.381 . . . . 0.0 110.874 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.481 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -108.38 134.14 12.06 Favored Glycine 0 N--CA 1.442 -0.909 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.927 179.596 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 18.4 p80 -134.42 125.49 27.61 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 121.692 0.758 . . . . 0.0 110.758 179.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 52.8 m -74.11 138.19 43.76 Favored 'General case' 0 C--N 1.307 -1.28 0 CA-C-N 115.093 -0.958 . . . . 0.0 109.982 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.413 ' HB3' HD13 ' A' ' 42' ' ' LEU . 6.4 p -74.18 -159.54 0.08 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.086 0.47 . . . . 0.0 111.779 -178.7 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 41.3 ttmt -125.3 -46.6 1.77 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.476 -179.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.627 ' H ' HD12 ' A' ' 37' ' ' ILE . 4.7 mp -66.52 -69.76 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 120.734 0.302 . . . . 0.0 111.02 -179.017 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.813 HD23 ' HD3' ' A' ' 40' ' ' ARG . 16.3 tp -81.21 -19.67 42.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.432 0.634 . . . . 0.0 109.327 179.435 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.468 ' HB3' HG13 ' A' ' 13' ' ' VAL . 28.8 tpt180 62.34 23.6 13.99 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 114.715 -1.13 . . . . 0.0 111.443 179.214 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.813 ' HD3' HD23 ' A' ' 38' ' ' LEU . 37.8 ptt180 -82.29 161.91 22.47 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 178.29 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 35.8 t -76.57 107.17 8.66 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 112.916 0.709 . . . . 0.0 112.916 -178.423 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.423 HD12 ' HG3' ' A' ' 6' ' ' GLU . 11.2 mp -92.01 123.96 35.75 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 177.672 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.475 ' HB3' ' CG ' ' A' ' 29' ' ' PHE . 70.9 m -102.54 136.55 42.17 Favored 'General case' 0 C--N 1.317 -0.837 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.618 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.432 ' HA ' ' O ' ' A' ' 3' ' ' CYS . 0.7 OUTLIER -122.31 141.04 51.95 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.126 179.414 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.585 ' HB3' ' HA ' ' A' ' 29' ' ' PHE . 50.7 pttt -154.55 -178.87 7.47 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.219 0.533 . . . . 0.0 111.75 -179.646 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.406 ' OE1' ' HB2' ' A' ' 45' ' ' LYS . 2.1 pm0 -79.54 148.85 31.63 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-N 114.612 -1.176 . . . . 0.0 111.286 -179.574 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.644 ' OXT' ' HA ' ' A' ' 1' ' ' ALA . 31.6 p . . . . . 0 C--O 1.245 0.828 0 CA-C-N 115.125 -0.943 . . . . 0.0 108.758 179.273 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.648 ' HA ' ' O ' ' A' ' 47' ' ' CYS . . . . . . . . 0 N--CA 1.478 0.932 0 CA-C-O 121.105 0.478 . . . . 0.0 110.605 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.1 m -152.57 125.7 8.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.264 -0.425 . . . . 0.0 109.905 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 28.0 m -114.8 137.81 51.5 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.818 0.342 . . . . 0.0 111.084 -179.49 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.54 ' HD2' ' N ' ' A' ' 5' ' ' ALA . 0.4 OUTLIER -133.33 129.54 37.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.75 -179.488 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.54 ' N ' ' HD2' ' A' ' 4' ' ' LYS . . . -159.72 135.37 8.46 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.16 -0.682 . . . . 0.0 109.16 178.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.65 ' OE2' ' HG ' ' A' ' 42' ' ' LEU . 8.5 mp0 -65.01 138.62 58.47 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 -179.742 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.429 ' HB3' ' HB2' ' A' ' 10' ' ' TRP . 40.3 t -52.4 126.3 37.53 Favored Pre-proline 0 C--N 1.321 -0.641 0 O-C-N 123.497 0.498 . . . . 0.0 110.577 -178.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -54.43 -42.5 67.34 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 123.032 2.488 . . . . 0.0 112.279 -179.218 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 23.9 p -90.63 46.02 1.3 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.636 179.222 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.429 ' HB2' ' HB3' ' A' ' 7' ' ' CYS . 35.9 t-105 -144.83 119.29 9.65 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.558 -179.578 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -150.34 53.07 0.9 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.779 0.8 . . . . 0.0 109.108 179.364 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.0 p -152.17 171.37 18.02 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.366 -0.833 . . . . 0.0 110.731 -178.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 58.2 t -78.6 132.2 32.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.314 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.865 ' HB2' ' HG3' ' A' ' 39' ' ' ARG . 1.2 m -63.14 130.71 45.81 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.897 -0.592 . . . . 0.0 112.12 -179.702 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 45.2 mm -99.37 -27.67 3.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.602 -0.727 . . . . 0.0 109.213 178.601 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.591 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 20.2 t-20 -166.8 162.1 15.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.227 -0.897 . . . . 0.0 108.857 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.469 ' O ' HG23 ' A' ' 21' ' ' VAL . 55.9 tttm -67.5 -34.11 76.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.285 0.088 . . . . 0.0 110.905 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.574 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 0.1 OUTLIER -51.64 -56.7 18.75 Favored Pre-proline 0 CA--C 1.54 0.576 0 CA-C-N 116.592 -0.276 . . . . 0.0 111.284 -179.493 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.591 ' HD2' ' O ' ' A' ' 16' ' ' ASN . 80.1 Cg_exo -50.96 -44.49 41.68 Favored 'Trans proline' 0 C--N 1.36 1.133 0 C-N-CA 122.495 2.13 . . . . 0.0 111.834 178.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 51.3 t -62.05 -51.73 66.82 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.848 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 17' ' ' LYS . 98.9 t -57.16 -39.63 68.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.68 179.496 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.57 -44.16 97.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.91 0.385 . . . . 0.0 110.486 179.168 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.553 ' O ' ' HG3' ' A' ' 26' ' ' LYS . 4.9 t -63.26 -44.73 94.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.585 0.707 . . . . 0.0 109.394 178.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.61 ' SG ' ' HA3' ' A' ' 32' ' ' GLY . 71.6 m -64.9 -37.35 87.35 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.382 179.744 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.489 ' HD3' ' HA ' ' A' ' 25' ' ' LYS . 18.6 mmtp -65.03 -43.61 91.84 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 121.258 -0.177 . . . . 0.0 111.207 179.697 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.553 ' HG3' ' O ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -68.71 -25.68 64.89 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 178.686 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -84.05 -1.9 55.69 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.925 179.241 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 34.9 ttmt 72.39 45.71 0.34 Allowed 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 123.5 0.72 . . . . 0.0 111.925 179.303 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -115.13 147.79 39.79 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.843 -0.428 . . . . 0.0 109.843 178.462 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.518 ' OG ' ' HA ' ' A' ' 45' ' ' LYS . 1.7 m -57.47 -47.68 81.21 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.388 0.514 . . . . 0.0 112.388 -178.326 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -164.16 144.91 8.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.924 0.392 . . . . 0.0 110.987 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.61 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -107.98 141.16 15.69 Favored Glycine 0 N--CA 1.445 -0.738 0 CA-C-N 115.866 -0.607 . . . . 0.0 112.934 -179.519 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.44 ' HE1' HG23 ' A' ' 44' ' ' THR . 43.5 p-80 -133.59 131.36 39.57 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.05 0.453 . . . . 0.0 110.153 179.164 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 67.3 m -74.52 140.83 44.77 Favored 'General case' 0 C--N 1.311 -1.089 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.71 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.458 ' O ' ' HD3' ' A' ' 39' ' ' ARG . 12.1 p -77.97 -165.12 0.6 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.017 0.437 . . . . 0.0 111.599 -179.248 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.484 ' HA ' ' NH1' ' A' ' 39' ' ' ARG . 23.8 pttm -117.1 -19.06 9.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.745 -179.749 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.444 ' HB ' ' H ' ' A' ' 38' ' ' LEU . 16.6 mt -77.99 -100.74 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.804 0.335 . . . . 0.0 110.512 -179.561 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.444 ' H ' ' HB ' ' A' ' 37' ' ' ILE . 26.8 tp -73.44 -2.76 23.76 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.339 0.59 . . . . 0.0 110.367 179.532 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.865 ' HG3' ' HB2' ' A' ' 14' ' ' CYS . 12.9 tpp180 67.27 32.16 6.15 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 114.845 -1.07 . . . . 0.0 110.51 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 82.6 mtt-85 -69.12 152.47 45.12 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.208 178.475 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.42 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 24.9 t -82.19 104.55 12.6 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.787 179.607 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.65 ' HG ' ' OE2' ' A' ' 6' ' ' GLU . 10.8 mp -86.94 117.39 25.63 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 179.158 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.407 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 76.6 m -94.51 131.62 40.04 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-O 120.966 0.412 . . . . 0.0 110.573 179.769 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.44 HG23 ' HE1' ' A' ' 33' ' ' HIS . 0.0 OUTLIER -115.16 144.55 43.51 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.833 179.252 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.518 ' HA ' ' OG ' ' A' ' 30' ' ' SER . 10.5 ptmm? -157.3 165.01 37.0 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 120.971 0.415 . . . . 0.0 110.589 -179.712 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.575 ' CD ' ' H ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -79.56 145.62 33.04 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.524 179.372 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.648 ' O ' ' HA ' ' A' ' 1' ' ' ALA . 28.6 p . . . . . 0 C--O 1.251 1.173 0 CA-C-O 117.395 -1.288 . . . . 0.0 109.048 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.681 ' HA ' ' O ' ' A' ' 47' ' ' CYS . . . . . . . . 0 N--CA 1.48 1.032 0 CA-C-O 121.023 0.439 . . . . 0.0 110.661 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.5 m -152.65 122.49 6.96 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.206 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 33.5 m -114.77 138.73 50.39 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.788 0.327 . . . . 0.0 110.642 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.506 ' HD2' HD23 ' A' ' 42' ' ' LEU . 13.9 ttpp -150.91 121.11 7.24 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.161 -179.117 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -160.48 152.45 20.11 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.232 179.377 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.622 ' HA ' ' O ' ' A' ' 41' ' ' CYS . 24.3 mt-10 -65.45 141.8 58.39 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.81 0.338 . . . . 0.0 110.809 -179.452 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.4 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 44.4 t -52.74 126.05 39.85 Favored Pre-proline 0 C--N 1.326 -0.452 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.939 -179.008 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 7' ' ' CYS . 43.9 Cg_exo -57.26 -41.71 70.45 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.919 2.413 . . . . 0.0 112.369 -179.344 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 38.8 p -90.99 43.71 1.16 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.032 179.668 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.546 ' HB2' ' SG ' ' A' ' 23' ' ' CYS . 23.2 t-105 -146.35 123.73 11.65 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.51 -179.716 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.6 ' HA ' ' HD2' ' A' ' 40' ' ' ARG . 11.5 t70 -151.2 59.85 0.9 Allowed 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.722 0.773 . . . . 0.0 108.99 178.822 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.4 ' O ' ' HA ' ' A' ' 40' ' ' ARG . 22.5 t -146.66 170.61 16.58 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.171 -0.922 . . . . 0.0 109.466 -179.09 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 57.5 t -77.97 127.67 38.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 121.104 0.478 . . . . 0.0 110.972 -179.53 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.526 ' HB2' ' O ' ' A' ' 40' ' ' ARG . 3.8 t -66.8 119.83 12.52 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.787 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 48.4 mm -99.17 -34.37 4.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.203 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.533 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 5.7 t-20 -159.34 165.99 32.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.837 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.505 ' O ' HG23 ' A' ' 21' ' ' VAL . 55.9 tttm -64.0 -41.86 97.35 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 -178.494 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.768 ' HG3' ' HD3' ' A' ' 19' ' ' PRO . 1.2 pttm -49.57 -55.33 23.3 Favored Pre-proline 0 N--CA 1.475 0.804 0 N-CA-C 113.539 0.94 . . . . 0.0 113.539 -178.293 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.768 ' HD3' ' HG3' ' A' ' 18' ' ' LYS . 57.9 Cg_exo -54.3 -44.79 46.15 Favored 'Trans proline' 0 C--N 1.356 0.953 0 C-N-CA 121.795 1.663 . . . . 0.0 111.78 179.595 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 41.5 t -61.56 -47.5 85.26 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.262 -0.881 . . . . 0.0 109.913 179.139 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.505 HG23 ' O ' ' A' ' 17' ' ' LYS . 71.5 t -56.66 -43.43 78.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.68 178.716 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.39 -45.46 84.5 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.741 179.591 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.546 ' SG ' ' HB2' ' A' ' 10' ' ' TRP . 4.5 t -63.8 -44.49 93.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.442 0.639 . . . . 0.0 109.808 179.055 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.723 ' SG ' ' HA3' ' A' ' 32' ' ' GLY . 70.3 m -63.69 -37.49 87.55 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.617 -0.719 . . . . 0.0 111.439 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.499 ' HG2' ' O ' ' A' ' 21' ' ' VAL . 0.5 OUTLIER -65.77 -45.43 82.55 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 121.277 -0.169 . . . . 0.0 111.104 179.925 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.523 ' HG3' ' O ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -67.31 -26.36 66.48 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 120.65 -0.42 . . . . 0.0 110.445 179.34 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -81.23 -1.48 45.05 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.883 179.462 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 29.0 ttmt 71.07 43.67 0.64 Allowed 'General case' 0 C--O 1.236 0.369 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.598 179.367 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -109.07 150.21 28.15 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 178.109 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.504 ' OG ' ' HA ' ' A' ' 45' ' ' LYS . 9.4 p -60.04 -43.33 95.43 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 120.709 0.29 . . . . 0.0 111.127 -179.168 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -169.55 159.25 8.29 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.686 178.479 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.723 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -121.42 157.65 16.26 Favored Glycine 0 N--CA 1.446 -0.654 0 CA-C-N 115.844 -0.616 . . . . 0.0 112.245 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 32.7 p80 -139.26 145.33 39.06 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.973 0.416 . . . . 0.0 110.692 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 8.2 t -59.29 143.78 48.31 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.17 179.586 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.834 ' HB3' HD13 ' A' ' 42' ' ' LEU . 2.7 p -99.19 -157.27 0.59 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.775 0.321 . . . . 0.0 111.144 -179.746 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 39.9 ttpt -150.32 -39.47 0.14 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.366 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 27.6 mt -55.34 -76.93 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 CA-C-O 120.941 0.401 . . . . 0.0 111.034 -179.227 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.401 HD12 ' HA ' ' A' ' 38' ' ' LEU . 15.8 tp -91.44 -11.81 36.54 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 178.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.415 ' HA ' ' HD2' ' A' ' 39' ' ' ARG . 10.6 tpt180 64.08 35.53 10.38 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 113.886 -1.506 . . . . 0.0 111.229 179.428 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.6 ' HD2' ' HA ' ' A' ' 11' ' ' ASP . 69.3 mtm180 -87.46 -91.22 0.11 Allowed 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.535 -0.466 . . . . 0.0 111.131 178.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.622 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 4.0 t -176.23 106.76 0.07 Allowed 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 111.863 0.32 . . . . 0.0 111.863 -179.156 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.834 HD13 ' HB3' ' A' ' 35' ' ' SER . 5.6 mp -87.39 121.39 29.77 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 120.709 0.29 . . . . 0.0 110.951 178.369 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.499 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 67.8 m -98.9 140.55 32.9 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.238 178.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.467 HG22 ' HB2' ' A' ' 4' ' ' LYS . 1.2 p -118.27 143.9 46.22 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.017 179.608 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.504 ' HA ' ' OG ' ' A' ' 30' ' ' SER . 17.7 ptmt -160.92 166.77 27.86 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.118 0.485 . . . . 0.0 111.328 -179.74 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -79.46 150.79 31.14 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.008 -0.996 . . . . 0.0 110.324 178.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.681 ' O ' ' HA ' ' A' ' 1' ' ' ALA . 29.4 p . . . . . 0 C--O 1.252 1.202 0 CA-C-O 117.469 -1.253 . . . . 0.0 109.016 179.631 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.935 0 CA-C-O 121.023 0.439 . . . . 0.0 110.595 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 5.8 m -101.71 110.44 22.43 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 179.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.431 ' O ' ' HA ' ' A' ' 44' ' ' THR . 64.5 m -116.84 134.59 54.59 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 112.497 0.554 . . . . 0.0 112.497 -177.678 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.529 ' HD2' ' N ' ' A' ' 5' ' ' ALA . 0.5 OUTLIER -130.09 128.94 42.9 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.576 179.792 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.529 ' N ' ' HD2' ' A' ' 4' ' ' LYS . . . -158.76 128.45 5.71 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 178.836 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.632 ' HG3' HD12 ' A' ' 42' ' ' LEU . 41.8 mp0 -64.24 140.35 58.86 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 -179.831 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 49.5 t -51.31 125.11 24.9 Favored Pre-proline 0 C--N 1.322 -0.616 0 O-C-N 123.665 0.603 . . . . 0.0 110.448 -179.053 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -53.88 -41.6 73.43 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.914 2.409 . . . . 0.0 112.11 -179.035 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 21.9 p -90.86 43.56 1.15 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.587 179.023 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.671 ' HZ2' ' HA ' ' A' ' 14' ' ' CYS . 10.0 t-105 -150.32 85.91 1.4 Allowed 'General case' 0 N--CA 1.45 -0.47 0 CA-C-O 121.666 0.746 . . . . 0.0 111.248 -179.52 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 1.046 ' HA ' HH12 ' A' ' 40' ' ' ARG . 12.3 p-10 -103.79 -9.62 18.9 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-N 115.326 -0.852 . . . . 0.0 109.814 178.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.1 t -82.21 -176.78 6.35 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.173 -0.922 . . . . 0.0 112.267 -178.677 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 88.3 t -85.13 130.04 36.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.046 -0.979 . . . . 0.0 111.416 -179.602 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.671 ' HA ' ' HZ2' ' A' ' 10' ' ' TRP . 1.9 t -80.1 126.47 31.12 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.363 178.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 56.4 mt -98.99 -39.59 8.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 120.916 0.389 . . . . 0.0 111.182 -179.478 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.611 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 19.6 t-20 -144.11 160.94 40.04 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.398 -178.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.449 ' O ' HG23 ' A' ' 21' ' ' VAL . 63.5 tttp -65.04 -36.31 83.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.286 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.74 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 22.6 tptp -51.47 -57.31 14.79 Favored Pre-proline 0 CA--C 1.54 0.595 0 CA-C-O 119.476 -0.297 . . . . 0.0 111.767 -179.464 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.74 ' HD3' ' HB3' ' A' ' 18' ' ' LYS . 65.9 Cg_exo -56.11 -42.12 69.71 Favored 'Trans proline' 0 C--N 1.356 0.954 0 C-N-CA 122.326 2.017 . . . . 0.0 111.267 178.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 38.9 t -60.58 -51.4 69.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.182 -0.917 . . . . 0.0 110.713 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 17' ' ' LYS . 95.3 t -57.16 -36.44 51.65 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.109 0 CA-C-N 116.57 -0.286 . . . . 0.0 110.612 179.272 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.46 -46.24 87.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.85 0.357 . . . . 0.0 110.463 178.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.593 ' O ' ' HG3' ' A' ' 26' ' ' LYS . 4.1 t -64.73 -44.37 90.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.551 0.691 . . . . 0.0 109.497 179.08 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.57 ' SG ' ' HA3' ' A' ' 32' ' ' GLY . 78.2 m -64.52 -36.04 82.93 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.996 179.477 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.403 ' HD3' ' HA ' ' A' ' 25' ' ' LYS . 9.6 tppt? -65.82 -44.69 84.83 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.618 -0.264 . . . . 0.0 110.835 -179.738 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.593 ' HG3' ' O ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -66.9 -27.11 67.23 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-O 121.008 0.432 . . . . 0.0 109.962 178.927 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -81.07 -0.83 41.69 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.517 178.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.445 ' HE3' ' HB2' ' A' ' 28' ' ' LYS . 27.0 ttmt 71.55 35.98 1.36 Allowed 'General case' 0 C--O 1.237 0.405 0 CA-C-N 115.278 -0.874 . . . . 0.0 111.907 179.171 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.416 ' CD2' ' HG2' ' A' ' 45' ' ' LYS . 19.2 m-85 -102.12 148.67 25.11 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.8 178.207 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.512 ' OG ' ' HA ' ' A' ' 45' ' ' LYS . 0.9 OUTLIER -60.09 -49.45 77.62 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.958 -0.564 . . . . 0.0 112.129 -178.596 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.425 ' CG ' ' HZ1' ' A' ' 17' ' ' LYS . 4.9 t70 -158.09 145.96 18.51 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.862 0.363 . . . . 0.0 111.433 -179.584 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.57 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -109.6 141.2 16.03 Favored Glycine 0 N--CA 1.447 -0.608 0 CA-C-N 115.76 -0.655 . . . . 0.0 112.032 179.616 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.504 ' HE1' HG23 ' A' ' 44' ' ' THR . 30.5 p-80 -130.7 132.99 45.7 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.266 0.555 . . . . 0.0 111.356 -179.789 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 2.9 t -68.67 133.95 49.18 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.161 -0.927 . . . . 0.0 109.619 179.521 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.77 ' HB3' HD13 ' A' ' 42' ' ' LEU . 54.6 p -87.8 -156.08 0.33 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.383 0.611 . . . . 0.0 112.188 -178.666 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -133.58 -34.28 1.05 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.667 -179.364 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.482 ' HB ' ' H ' ' A' ' 38' ' ' LEU . 5.7 mt -61.28 -98.96 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 CA-C-O 121.447 0.641 . . . . 0.0 111.678 -178.788 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.482 ' H ' ' HB ' ' A' ' 37' ' ' ILE . 23.3 tp -79.93 2.76 22.2 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.59 0.71 . . . . 0.0 109.945 -179.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 23.8 tpt180 63.63 31.95 14.22 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 114.487 -1.233 . . . . 0.0 110.841 179.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 1.046 HH12 ' HA ' ' A' ' 11' ' ' ASP . 74.9 mtt-85 -75.52 156.86 34.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.497 178.596 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.422 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 11.3 t -85.32 100.12 11.6 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.368 -0.378 . . . . 0.0 109.987 178.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.77 HD13 ' HB3' ' A' ' 35' ' ' SER . 10.6 mp -81.68 122.15 27.27 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.3 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.401 ' HB2' ' O ' ' A' ' 5' ' ' ALA . 64.0 m -103.09 136.16 43.41 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 120.817 0.341 . . . . 0.0 110.418 179.718 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.504 HG23 ' HE1' ' A' ' 33' ' ' HIS . 0.2 OUTLIER -121.15 140.69 51.65 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.615 179.727 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.512 ' HA ' ' OG ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -160.94 165.29 30.23 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.271 179.549 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.599 ' CD ' ' H ' ' A' ' 46' ' ' GLU . 0.5 OUTLIER -80.16 124.55 28.88 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 114.999 -1.0 . . . . 0.0 110.446 179.414 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.245 0.864 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 178.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.608 ' HA ' ' O ' ' A' ' 47' ' ' CYS . . . . . . . . 0 N--CA 1.478 0.961 0 CA-C-O 121.096 0.474 . . . . 0.0 110.495 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 13.4 m -152.15 125.56 8.79 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 56.0 m -115.7 128.88 56.22 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.953 0.406 . . . . 0.0 111.249 -179.144 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.636 ' HD3' ' HG ' ' A' ' 42' ' ' LEU . 0.5 OUTLIER -119.85 134.82 55.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.536 -179.84 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.589 ' N ' ' HD2' ' A' ' 4' ' ' LYS . . . -163.03 136.16 5.7 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 179.06 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.536 ' HG3' HD12 ' A' ' 42' ' ' LEU . 9.7 mp0 -66.34 139.22 58.02 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 -179.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.418 ' HB2' ' SG ' ' A' ' 43' ' ' CYS . 48.4 t -54.17 123.63 42.39 Favored Pre-proline 0 C--N 1.322 -0.6 0 O-C-N 123.456 0.473 . . . . 0.0 110.245 -179.431 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_endo -56.2 -41.86 72.25 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.884 2.389 . . . . 0.0 111.833 -179.295 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 35.9 p -86.8 44.48 1.17 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.396 178.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 38.3 t-105 -148.34 122.0 9.23 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-O 121.077 0.465 . . . . 0.0 111.539 -178.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -151.22 66.66 0.9 Allowed 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 178.19 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 9.2 t -161.9 179.51 7.99 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.776 -179.049 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.409 HG13 ' HG2' ' A' ' 39' ' ' ARG . 60.6 t -78.84 117.84 25.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 121.226 0.536 . . . . 0.0 111.347 -179.456 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.567 ' SG ' ' HB2' ' A' ' 20' ' ' CYS . 49.2 t -80.23 106.59 12.37 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.749 -0.659 . . . . 0.0 109.787 179.278 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 63.3 mt -99.31 -57.64 4.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-O 121.076 0.465 . . . . 0.0 110.307 -179.699 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.517 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 18.7 t-20 -95.9 146.81 24.28 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.501 179.243 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.405 ' O ' HG23 ' A' ' 21' ' ' VAL . 39.2 mtmm -69.9 -33.62 72.45 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 111.939 0.348 . . . . 0.0 111.939 -179.556 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.71 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 12.5 tmtt? -51.03 -56.09 22.68 Favored Pre-proline 0 CA--C 1.539 0.547 0 CA-C-O 119.592 -0.242 . . . . 0.0 111.378 -179.342 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.71 ' HD3' ' HB3' ' A' ' 18' ' ' LYS . 83.5 Cg_exo -52.29 -43.83 50.87 Favored 'Trans proline' 0 C--N 1.357 0.986 0 C-N-CA 122.562 2.175 . . . . 0.0 112.263 179.251 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.567 ' HB2' ' SG ' ' A' ' 14' ' ' CYS . 39.4 t -65.67 -55.67 16.25 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.399 -179.256 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.603 ' O ' ' HG2' ' A' ' 25' ' ' LYS . 99.8 t -53.93 -45.59 63.76 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.221 0 CA-C-O 120.604 0.24 . . . . 0.0 110.38 179.691 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.68 -43.14 89.83 Favored 'General case' 0 C--O 1.238 0.491 0 CA-C-O 120.981 0.419 . . . . 0.0 110.749 179.229 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.639 ' HA ' ' HZ2' ' A' ' 26' ' ' LYS . 6.3 t -61.18 -46.93 88.46 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 178.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 72.7 m -61.61 -40.23 94.07 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 114.949 -1.023 . . . . 0.0 111.641 179.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.603 ' HG2' ' O ' ' A' ' 21' ' ' VAL . 12.6 mmmm -61.7 -42.56 99.11 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.855 -0.338 . . . . 0.0 110.646 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.639 ' HZ2' ' HA ' ' A' ' 23' ' ' CYS . 6.1 ptpp? -68.12 -30.76 69.99 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 120.484 -0.487 . . . . 0.0 109.892 179.372 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -80.74 4.5 18.73 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.918 179.508 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.417 ' HE3' ' HB2' ' A' ' 28' ' ' LYS . 32.4 ttmt 68.65 47.44 0.87 Allowed 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.545 179.527 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.68 ' HA ' ' HD3' ' A' ' 45' ' ' LYS . 31.0 m-85 -122.05 147.24 46.33 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 178.11 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.565 ' H ' ' HB3' ' A' ' 45' ' ' LYS . 2.7 m -76.85 -42.33 40.53 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 112.546 0.573 . . . . 0.0 112.546 -178.261 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -120.71 155.64 33.47 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.539 0.57 . . . . 0.0 112.539 -177.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -146.17 127.27 2.72 Favored Glycine 0 N--CA 1.444 -0.824 0 N-CA-C 110.325 -1.11 . . . . 0.0 110.325 178.545 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 32.3 p80 -149.06 142.04 24.8 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.226 0.536 . . . . 0.0 111.925 -178.306 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 13.7 m -66.5 146.91 54.0 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.326 179.347 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.743 ' HB3' HD13 ' A' ' 42' ' ' LEU . 11.0 p -92.84 -159.0 0.64 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.076 0.465 . . . . 0.0 111.523 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.433 ' H ' ' HB2' ' A' ' 35' ' ' SER . 84.9 tttt -116.99 -35.16 4.18 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.652 -179.585 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.461 ' HB ' ' H ' ' A' ' 38' ' ' LEU . 12.4 mt -67.43 -102.3 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 CA-C-O 120.88 0.371 . . . . 0.0 111.783 -178.471 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.461 ' H ' ' HB ' ' A' ' 37' ' ' ILE . 26.0 tp -77.56 6.64 6.78 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.519 0.676 . . . . 0.0 110.719 -179.579 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.409 ' HG2' HG13 ' A' ' 13' ' ' VAL . 21.4 tpt180 60.79 30.09 19.44 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 114.923 -1.035 . . . . 0.0 110.824 179.723 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.4 ' NE ' HD23 ' A' ' 38' ' ' LEU . 84.6 mtt-85 -69.98 154.66 41.66 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.185 178.498 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.445 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 20.3 t -77.82 110.91 13.1 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.316 179.448 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.743 HD13 ' HB3' ' A' ' 35' ' ' SER . 9.4 mp -90.17 123.91 34.39 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.283 179.519 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.418 ' SG ' ' HB2' ' A' ' 7' ' ' CYS . 85.4 m -104.95 134.31 48.28 Favored 'General case' 0 C--N 1.313 -0.991 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 179.53 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.42 148.37 51.32 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-O 121.207 0.527 . . . . 0.0 110.86 -179.445 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.68 ' HD3' ' HA ' ' A' ' 29' ' ' PHE . 61.7 pttt -163.0 174.12 12.73 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.723 179.503 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.429 ' HG2' ' H ' ' A' ' 46' ' ' GLU . 13.8 pt-20 -79.21 151.47 31.2 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.642 179.445 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.608 ' O ' ' HA ' ' A' ' 1' ' ' ALA . 28.7 p . . . . . 0 C--O 1.253 1.287 0 CA-C-O 117.551 -1.214 . . . . 0.0 109.079 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.926 0 N-CA-C 110.224 -0.287 . . . . 0.0 110.224 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 12.2 m -121.35 106.54 11.55 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.424 ' O ' ' HA ' ' A' ' 44' ' ' THR . 59.2 m -91.86 136.95 32.76 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.024 -179.3 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.921 ' HD2' HD23 ' A' ' 42' ' ' LEU . 11.7 ttpp -131.49 121.45 24.53 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.834 -179.686 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -152.29 143.46 23.2 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.334 179.241 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.541 ' HG2' HD12 ' A' ' 42' ' ' LEU . 42.1 mt-10 -65.83 140.07 58.36 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 -179.489 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 15.1 t -53.93 126.14 50.05 Favored Pre-proline 0 C--N 1.325 -0.459 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.03 -179.171 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_exo -51.28 -39.8 62.08 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 123.141 2.561 . . . . 0.0 112.683 -178.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 40.2 p -92.83 50.64 1.59 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.132 179.166 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 9.0 t-105 -157.03 137.78 13.28 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.32 -179.15 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -150.54 -29.51 0.21 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.651 -179.647 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 17.4 m -72.8 175.66 6.3 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.238 -0.892 . . . . 0.0 113.079 -177.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.783 HG13 ' HB3' ' A' ' 39' ' ' ARG . 90.8 t -78.49 130.22 36.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 114.906 -1.043 . . . . 0.0 111.016 -179.719 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.49 ' HB3' ' HG3' ' A' ' 39' ' ' ARG . 0.1 OUTLIER -71.55 127.99 34.38 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.055 179.547 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 51.6 mt -99.35 -26.07 3.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.395 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.563 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 19.9 t-20 -153.72 153.69 32.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.613 -179.499 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.562 ' O ' HG23 ' A' ' 21' ' ' VAL . 22.0 tptp -62.16 -40.22 95.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.883 -179.594 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.706 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 40.0 ttpt -51.96 -56.83 18.08 Favored Pre-proline 0 N--CA 1.47 0.552 0 N-CA-C 112.615 0.598 . . . . 0.0 112.615 -178.79 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.706 ' HD3' ' HB3' ' A' ' 18' ' ' LYS . 85.4 Cg_exo -50.53 -42.67 48.4 Favored 'Trans proline' 0 C--N 1.358 1.041 0 C-N-CA 122.383 2.055 . . . . 0.0 112.109 179.493 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 49.9 t -63.4 -50.69 68.84 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.381 179.593 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.562 HG23 ' O ' ' A' ' 17' ' ' LYS . 60.9 t -56.83 -40.24 69.85 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.207 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.716 179.238 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.14 -46.66 89.64 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-O 120.847 0.356 . . . . 0.0 110.897 179.589 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.584 ' HA ' ' HE3' ' A' ' 26' ' ' LYS . 5.3 t -62.08 -46.78 87.57 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-O 121.601 0.715 . . . . 0.0 109.745 179.345 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.616 ' SG ' ' HA3' ' A' ' 32' ' ' GLY . 82.8 m -65.08 -39.09 92.7 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 114.905 -1.043 . . . . 0.0 111.663 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.403 ' HD3' ' HA ' ' A' ' 25' ' ' LYS . 10.3 tppt? -63.29 -47.77 80.91 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.634 -0.257 . . . . 0.0 111.22 -178.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.584 ' HE3' ' HA ' ' A' ' 23' ' ' CYS . 19.9 pttp -66.62 -28.63 68.64 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.85 -0.34 . . . . 0.0 110.496 179.524 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -84.76 6.77 23.08 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-O 120.978 0.418 . . . . 0.0 111.173 179.168 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.458 ' O ' ' HD3' ' A' ' 45' ' ' LYS . 8.2 tmtt? 65.22 68.17 0.5 Allowed 'General case' 0 C--N 1.333 -0.115 0 C-N-CA 123.635 0.774 . . . . 0.0 111.215 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.549 ' HA ' ' HB3' ' A' ' 45' ' ' LYS . 55.0 m-85 -132.28 147.09 52.39 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 178.012 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.532 ' OG ' ' HA ' ' A' ' 45' ' ' LYS . 6.0 m -59.18 -48.66 80.79 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.741 0.305 . . . . 0.0 110.681 -179.13 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 47.2 t0 -162.91 153.12 16.22 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.02 178.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.616 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -113.56 142.81 17.65 Favored Glycine 0 N--CA 1.444 -0.783 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 179.277 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 28.1 p80 -137.49 132.9 33.97 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-O 121.468 0.652 . . . . 0.0 110.654 -179.378 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 9.2 m -72.88 134.03 44.65 Favored 'General case' 0 C--N 1.311 -1.095 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.257 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.501 ' O ' ' HD2' ' A' ' 39' ' ' ARG . 18.7 p -73.97 -179.72 3.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.09 0.471 . . . . 0.0 111.903 -178.8 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 61.5 tttp -93.55 -31.44 14.53 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.749 -179.466 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 13.7 mt -69.96 -101.76 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 CA-C-O 120.898 0.38 . . . . 0.0 111.885 -178.386 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.803 HD23 ' HE ' ' A' ' 40' ' ' ARG . 24.5 tp -75.6 4.11 8.26 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 121.143 0.497 . . . . 0.0 111.228 -179.248 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.783 ' HB3' HG13 ' A' ' 13' ' ' VAL . 23.1 tpt180 62.09 32.22 17.58 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.249 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.803 ' HE ' HD23 ' A' ' 38' ' ' LEU . 97.6 mtt180 -68.81 156.18 38.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.904 179.38 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.486 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 44.3 t -83.0 96.8 8.44 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.385 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.921 HD23 ' HD2' ' A' ' 4' ' ' LYS . 11.1 mp -86.97 116.8 25.27 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 178.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.527 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 61.4 m -94.13 136.29 34.58 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-O 120.873 0.368 . . . . 0.0 111.175 -179.527 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.424 ' HA ' ' O ' ' A' ' 3' ' ' CYS . 0.3 OUTLIER -118.89 142.19 47.97 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.051 179.075 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.549 ' HB3' ' HA ' ' A' ' 29' ' ' PHE . 53.6 pttt -159.85 175.75 12.72 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.248 0.547 . . . . 0.0 111.701 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -79.56 145.48 33.12 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 114.67 -1.15 . . . . 0.0 111.065 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 25.4 p . . . . . 0 C--O 1.242 0.675 0 N-CA-C 109.13 -0.692 . . . . 0.0 109.13 179.273 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.586 ' HA ' ' O ' ' A' ' 47' ' ' CYS . . . . . . . . 0 N--CA 1.478 0.934 0 CA-C-O 121.097 0.475 . . . . 0.0 110.491 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 17.6 m -151.97 122.83 7.51 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 57.7 m -112.17 137.82 49.72 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.92 0.391 . . . . 0.0 111.237 -179.106 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.668 ' HG2' HG23 ' A' ' 44' ' ' THR . 54.9 mtmt -124.5 135.05 52.89 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.169 179.717 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -161.74 139.02 8.64 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.825 179.654 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.505 ' OE1' ' HD2' ' A' ' 40' ' ' ARG . 7.4 mt-10 -64.31 141.98 58.58 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.609 ' HB3' ' HB2' ' A' ' 10' ' ' TRP . 45.8 t -56.88 126.36 72.04 Favored Pre-proline 0 C--N 1.322 -0.589 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.268 -179.396 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 7' ' ' CYS . 51.8 Cg_exo -54.04 -39.13 86.68 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 123.115 2.544 . . . . 0.0 112.585 -179.145 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 23.7 p -97.78 45.36 1.03 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.059 179.682 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.609 ' HB2' ' HB3' ' A' ' 7' ' ' CYS . 45.2 t-105 -132.53 122.66 25.17 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.273 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -148.01 58.97 1.11 Allowed 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 179.482 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 64.6 m -160.79 169.51 22.58 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.218 -178.71 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 99.7 t -78.56 126.49 38.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 179.293 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.563 ' SG ' ' HB2' ' A' ' 20' ' ' CYS . 4.1 t -73.15 117.18 14.58 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.048 -179.449 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 63.7 mt -98.48 -53.21 8.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-O 120.952 0.406 . . . . 0.0 110.479 -179.477 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.57 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 18.1 t-20 -117.3 152.52 34.71 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.892 -0.594 . . . . 0.0 109.96 179.771 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.472 ' HZ1' ' CG ' ' A' ' 31' ' ' ASP . 63.2 tttp -64.79 -36.91 85.83 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.862 -179.546 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.691 ' HB2' ' HD3' ' A' ' 19' ' ' PRO . 57.7 mtpt -50.78 -57.08 14.67 Favored Pre-proline 0 N--CA 1.47 0.553 0 N-CA-C 112.45 0.537 . . . . 0.0 112.45 -179.134 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.691 ' HD3' ' HB2' ' A' ' 18' ' ' LYS . 85.4 Cg_exo -51.71 -43.29 52.05 Favored 'Trans proline' 0 C--N 1.358 1.04 0 C-N-CA 122.336 2.024 . . . . 0.0 112.147 179.453 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.563 ' HB2' ' SG ' ' A' ' 14' ' ' CYS . 42.8 t -64.7 -51.15 63.98 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.619 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.492 ' CG1' ' HE2' ' A' ' 25' ' ' LYS . 95.1 t -56.8 -42.15 77.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.952 179.566 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.568 ' O ' ' HG2' ' A' ' 26' ' ' LYS . . . -61.05 -46.64 89.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.246 179.203 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.474 ' O ' ' HG3' ' A' ' 26' ' ' LYS . 5.4 t -60.62 -42.26 96.49 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.603 0.716 . . . . 0.0 109.86 179.06 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.638 ' SG ' ' HA3' ' A' ' 32' ' ' GLY . 81.7 m -65.5 -46.5 79.45 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 115.275 -0.875 . . . . 0.0 112.151 -179.595 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.492 ' HE2' ' CG1' ' A' ' 21' ' ' VAL . 67.6 mttm -62.55 -40.74 97.79 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 111.887 0.329 . . . . 0.0 111.887 -179.192 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.568 ' HG2' ' O ' ' A' ' 22' ' ' ALA . 14.9 ptmt -67.62 -32.9 73.92 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.342 -0.543 . . . . 0.0 109.581 178.128 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -80.81 5.87 14.68 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.974 178.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.43 ' HD3' ' HA ' ' A' ' 28' ' ' LYS . 4.8 tppt? 71.4 56.83 0.19 Allowed 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.374 -0.83 . . . . 0.0 112.281 179.105 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.589 ' HA ' ' HD3' ' A' ' 45' ' ' LYS . 47.6 m-85 -130.53 148.01 52.28 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 178.136 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.537 ' H ' ' HB3' ' A' ' 45' ' ' LYS . 6.8 m -63.46 -48.22 78.62 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -178.572 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.472 ' CG ' ' HZ1' ' A' ' 17' ' ' LYS . 5.0 t70 -161.4 147.92 14.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.705 -0.225 . . . . 0.0 111.041 -179.09 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.638 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -114.76 153.29 17.72 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.921 -0.657 . . . . 0.0 112.85 -179.817 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 39.4 p-80 -139.5 135.09 33.13 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.889 0.376 . . . . 0.0 110.817 -179.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.463 ' HB3' ' HB3' ' A' ' 14' ' ' CYS . 22.4 m -72.8 126.79 30.76 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 178.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.658 ' O ' ' HA ' ' A' ' 39' ' ' ARG . 15.6 p -70.93 158.56 36.25 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 179.597 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 40.1 ttpt -88.77 -35.48 16.64 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 -178.591 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 62.1 mt -67.16 -75.71 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 112.799 0.666 . . . . 0.0 112.799 -178.002 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.715 ' HB3' ' HG2' ' A' ' 40' ' ' ARG . 22.1 tp -87.31 -9.25 55.43 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.134 0.492 . . . . 0.0 110.974 -178.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.658 ' HA ' ' O ' ' A' ' 35' ' ' SER . 22.0 tpt180 63.72 32.02 13.96 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.251 -0.886 . . . . 0.0 111.369 179.673 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.715 ' HG2' ' HB3' ' A' ' 38' ' ' LEU . 9.7 ptt180 -91.33 155.18 18.7 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.712 178.014 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.421 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 31.3 t -75.51 106.94 7.32 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.227 0.454 . . . . 0.0 112.227 -178.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.4 HD13 ' HB3' ' A' ' 35' ' ' SER . 9.5 mp -97.38 121.98 39.9 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 177.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.491 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 75.2 m -93.55 142.61 27.15 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-O 120.999 0.428 . . . . 0.0 111.34 -179.22 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.668 HG23 ' HG2' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -125.11 141.67 51.97 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.713 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.589 ' HD3' ' HA ' ' A' ' 29' ' ' PHE . 61.2 pttt -162.37 169.96 19.65 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.934 178.623 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.438 ' HG2' ' H ' ' A' ' 46' ' ' GLU . 12.8 pt-20 -78.54 151.08 32.68 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.033 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.586 ' O ' ' HA ' ' A' ' 1' ' ' ALA . 28.6 p . . . . . 0 C--O 1.253 1.288 0 CA-C-O 117.563 -1.208 . . . . 0.0 109.007 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.916 0 N-CA-C 110.321 -0.252 . . . . 0.0 110.321 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 36.2 m -147.14 118.63 7.93 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.077 0.465 . . . . 0.0 109.88 179.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 61.7 m -95.32 137.78 33.91 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.479 -179.465 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.523 ' HD2' HD23 ' A' ' 42' ' ' LEU . 37.1 ttpt -134.97 130.86 36.45 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.679 -179.378 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -168.46 146.19 4.08 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.294 179.677 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.528 ' HG2' ' HB3' ' A' ' 40' ' ' ARG . 3.4 mp0 -63.85 143.39 57.89 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.907 0.384 . . . . 0.0 110.64 -179.459 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.437 ' HB2' ' SG ' ' A' ' 43' ' ' CYS . 47.7 t -56.9 126.69 73.16 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.379 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 7' ' ' CYS . 44.2 Cg_exo -57.8 -42.21 61.64 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.93 2.42 . . . . 0.0 112.467 -179.3 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 56.7 p -88.58 45.43 1.29 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.087 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.48 ' HH2' ' HB2' ' A' ' 19' ' ' PRO . 58.1 t-105 -133.56 127.5 33.26 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.763 0.316 . . . . 0.0 110.785 -179.624 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -150.5 68.57 0.97 Allowed 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 179.328 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.7 t -170.27 171.57 6.67 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.062 -178.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 59.6 t -79.2 118.59 26.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.389 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.557 ' SG ' ' HB2' ' A' ' 20' ' ' CYS . 19.2 t -77.46 105.67 8.74 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 179.671 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 64.1 mt -98.88 -47.14 12.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 120.902 0.382 . . . . 0.0 110.597 -179.263 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.627 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 42.7 t30 -114.13 148.24 37.52 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.99 179.576 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.528 ' O ' HG23 ' A' ' 21' ' ' VAL . 7.4 mtpt -65.77 -35.58 81.11 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.79 0.663 . . . . 0.0 112.79 -178.737 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.675 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 10.3 tmtt? -47.13 -56.83 10.86 Favored Pre-proline 0 N--CA 1.473 0.706 0 N-CA-C 112.182 0.438 . . . . 0.0 112.182 -178.245 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.675 ' HD3' ' HB3' ' A' ' 18' ' ' LYS . 53.2 Cg_exo -56.2 -42.73 63.27 Favored 'Trans proline' 0 C--N 1.354 0.849 0 C-N-CA 122.142 1.894 . . . . 0.0 111.801 179.45 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.557 ' HB2' ' SG ' ' A' ' 14' ' ' CYS . 34.3 t -63.21 -49.68 73.24 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.703 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.528 HG23 ' O ' ' A' ' 17' ' ' LYS . 92.3 t -55.81 -42.85 72.03 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.96 179.513 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.15 -43.48 98.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.115 0.483 . . . . 0.0 110.366 179.3 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 1.012 ' HA ' ' HE3' ' A' ' 26' ' ' LYS . 4.8 t -65.63 -47.44 75.58 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.836 179.194 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.482 ' SG ' ' HA3' ' A' ' 32' ' ' GLY . 96.8 m -59.83 -47.61 85.02 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.313 -0.858 . . . . 0.0 112.193 -179.576 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -65.39 -33.6 76.34 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.966 -0.294 . . . . 0.0 111.664 -179.469 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 1.012 ' HE3' ' HA ' ' A' ' 23' ' ' CYS . 6.8 ptpt -66.52 -33.33 75.45 Favored 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 178.228 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -87.17 13.96 8.56 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.092 179.668 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 36.7 ttmt 66.88 57.57 0.63 Allowed 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 115.64 -0.709 . . . . 0.0 112.121 179.096 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.47 ' CD2' ' HG2' ' A' ' 45' ' ' LYS . 64.5 m-85 -128.74 146.07 51.0 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 108.928 -0.768 . . . . 0.0 108.928 178.142 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.498 ' OG ' ' HA ' ' A' ' 45' ' ' LYS . 0.4 OUTLIER -66.9 -45.41 78.1 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 112.24 0.459 . . . . 0.0 112.24 -178.32 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -154.43 157.14 38.02 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.99 0.424 . . . . 0.0 110.827 -179.169 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.482 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -123.43 161.73 17.63 Favored Glycine 0 N--CA 1.446 -0.634 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.821 179.652 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 33.5 p-80 -156.23 133.81 10.93 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.033 0.444 . . . . 0.0 111.183 -179.455 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 14.6 m -70.06 135.82 49.67 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.816 179.253 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.648 ' HB3' HD13 ' A' ' 42' ' ' LEU . 11.7 p -81.45 -155.06 0.12 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.918 0.389 . . . . 0.0 111.198 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.418 ' H ' ' HB2' ' A' ' 35' ' ' SER . 86.5 tttt -123.33 -39.89 2.42 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.265 -0.425 . . . . 0.0 112.104 -179.251 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 30.4 mt -60.54 -89.63 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.367 0 CA-C-O 120.903 0.382 . . . . 0.0 111.824 -178.458 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.701 HD23 ' HE ' ' A' ' 40' ' ' ARG . 26.3 tp -87.56 5.8 37.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.638 0.732 . . . . 0.0 110.094 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 59.13 33.7 22.95 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 114.559 -1.201 . . . . 0.0 110.533 -179.523 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.701 ' HE ' HD23 ' A' ' 38' ' ' LEU . 99.6 mtt180 -68.21 152.27 45.71 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.721 179.114 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.451 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 7.5 t -82.26 95.36 7.55 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.191 -0.459 . . . . 0.0 109.86 178.609 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.648 HD13 ' HB3' ' A' ' 35' ' ' SER . 9.8 mp -81.19 124.54 29.36 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.474 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.473 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 65.7 m -102.69 143.41 32.39 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.821 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -130.54 141.88 50.47 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.014 -179.687 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.498 ' HA ' ' OG ' ' A' ' 30' ' ' SER . 2.6 pttm -160.8 162.33 32.28 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.986 179.152 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.3 pm0 -77.66 145.77 36.48 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.154 179.595 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 22.8 p . . . . . 0 C--O 1.242 0.692 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 -179.727 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.601 ' HA ' ' OXT' ' A' ' 47' ' ' CYS . . . . . . . . 0 N--CA 1.478 0.961 0 CA-C-O 121.041 0.448 . . . . 0.0 110.598 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 11.7 m -152.18 114.18 4.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.013 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 78.0 m -110.26 141.3 43.41 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.68 -179.559 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.732 ' HB3' HG23 ' A' ' 44' ' ' THR . 24.2 pttm -150.44 142.26 23.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.024 0.44 . . . . 0.0 111.316 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -166.27 148.45 6.87 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.853 -1.067 . . . . 0.0 108.785 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.552 ' HG2' ' HB3' ' A' ' 40' ' ' ARG . 3.4 mp0 -60.63 139.57 57.77 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.701 0.286 . . . . 0.0 110.534 -179.331 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 22.3 t -55.88 124.43 58.03 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.355 179.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_exo -52.6 -39.82 74.52 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.967 2.445 . . . . 0.0 112.563 -178.716 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 26.7 p -92.71 47.3 1.28 Allowed 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.789 179.446 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.462 ' HH2' ' HB2' ' A' ' 19' ' ' PRO . 37.2 t-105 -145.68 125.07 13.06 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.874 0.369 . . . . 0.0 111.176 -179.318 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -150.71 62.5 0.93 Allowed 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 178.616 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 51.0 m -153.95 170.78 20.23 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.208 -0.906 . . . . 0.0 110.257 -178.526 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 61.9 t -77.48 118.85 25.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.13 0.49 . . . . 0.0 110.697 -179.585 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.412 ' SG ' ' HB2' ' A' ' 20' ' ' CYS . 22.1 t -76.03 99.16 4.51 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.888 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 66.9 mt -97.98 -53.24 8.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 121.021 0.438 . . . . 0.0 109.831 -179.685 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.532 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 16.9 t-20 -100.4 140.69 34.29 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 178.733 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.562 ' O ' HG23 ' A' ' 21' ' ' VAL . 51.2 tttm -67.84 -35.57 78.81 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 -178.328 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.681 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 39.9 ttpt -50.63 -55.87 23.28 Favored Pre-proline 0 N--CA 1.47 0.555 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 -178.701 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.681 ' HD3' ' HB3' ' A' ' 18' ' ' LYS . 75.4 Cg_exo -52.81 -43.72 53.85 Favored 'Trans proline' 0 C--N 1.357 0.98 0 C-N-CA 122.335 2.023 . . . . 0.0 112.072 179.663 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.412 ' HB2' ' SG ' ' A' ' 14' ' ' CYS . 42.1 t -62.68 -51.59 66.61 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.438 179.766 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.579 HG12 ' HE2' ' A' ' 25' ' ' LYS . 54.9 t -57.65 -38.18 63.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.692 179.308 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.29 -47.48 85.77 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.556 179.292 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.521 ' HA ' ' HE3' ' A' ' 26' ' ' LYS . 6.4 t -61.19 -45.87 92.8 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.33 0.586 . . . . 0.0 109.758 179.245 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.614 ' SG ' ' HA3' ' A' ' 32' ' ' GLY . 76.8 m -62.9 -47.45 83.24 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.104 -0.953 . . . . 0.0 112.428 -179.42 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.579 ' HE2' HG12 ' A' ' 21' ' ' VAL . 55.4 mtmt -59.87 -45.5 92.28 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 111.544 0.201 . . . . 0.0 111.544 -179.495 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.521 ' HE3' ' HA ' ' A' ' 23' ' ' CYS . 19.3 pttp -68.61 -25.34 64.81 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 120.518 -0.473 . . . . 0.0 110.558 179.733 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -88.41 9.85 22.08 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 121.087 0.47 . . . . 0.0 110.686 178.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 19.9 tptm 67.14 58.87 0.55 Allowed 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 115.33 -0.85 . . . . 0.0 112.266 179.367 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.544 ' HA ' ' HD3' ' A' ' 45' ' ' LYS . 56.2 m-85 -131.28 147.22 52.56 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 177.622 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.565 ' H ' ' HB3' ' A' ' 45' ' ' LYS . 10.4 m -63.25 -46.59 86.17 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.309 0.485 . . . . 0.0 112.309 -178.473 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -163.95 143.95 8.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.698 0.285 . . . . 0.0 111.271 -179.354 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.614 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -108.19 150.96 17.03 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 121.197 -0.525 . . . . 0.0 112.408 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 34.7 p80 -142.9 140.47 31.21 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.04 0.448 . . . . 0.0 111.269 -179.388 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 22.4 m -68.73 139.18 55.34 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.939 179.278 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.751 ' HB3' HD13 ' A' ' 42' ' ' LEU . 21.1 p -90.3 169.96 10.67 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.87 0.367 . . . . 0.0 110.945 179.845 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 23.7 ttpp -88.99 -26.73 21.32 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.809 -179.404 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 16.8 mt -71.03 -106.17 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.914 -178.198 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.636 HD23 ' HE ' ' A' ' 40' ' ' ARG . 22.9 tp -77.66 12.21 1.76 Allowed 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 121.32 0.581 . . . . 0.0 111.166 -179.167 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.515 ' HD2' ' O ' ' A' ' 35' ' ' SER . 18.3 tpt180 58.87 30.66 20.42 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.652 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.636 ' HE ' HD23 ' A' ' 38' ' ' LEU . 99.4 mtt180 -69.7 151.8 45.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.547 179.026 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.544 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 10.1 t -82.3 98.45 8.8 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.292 178.843 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.751 HD13 ' HB3' ' A' ' 35' ' ' SER . 9.1 mp -84.98 117.33 23.9 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.714 179.652 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.599 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 73.3 m -91.21 129.65 37.18 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.503 179.785 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.732 HG23 ' HB3' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -115.31 146.43 41.52 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.166 -179.749 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.565 ' HB3' ' H ' ' A' ' 30' ' ' SER . 55.7 pttt -162.12 171.14 17.94 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.01 178.698 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.442 ' H ' ' HG2' ' A' ' 46' ' ' GLU . 14.4 pt-20 -78.43 151.17 32.86 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.163 -0.926 . . . . 0.0 110.915 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.601 ' OXT' ' HA ' ' A' ' 1' ' ' ALA . 29.3 p . . . . . 0 C--O 1.244 0.776 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.027 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.008 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 31.2 m -147.98 112.05 5.17 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.302 0.573 . . . . 0.0 110.326 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 61.3 m -91.1 138.18 31.8 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.248 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.51 ' NZ ' ' HB3' ' A' ' 4' ' ' LYS . 5.5 ttpm? -137.2 128.23 27.61 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.664 -179.215 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -162.72 142.9 9.49 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.36 -0.836 . . . . 0.0 108.966 179.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.502 ' OE2' ' HD3' ' A' ' 40' ' ' ARG . 50.4 mt-10 -66.34 143.61 57.07 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.845 0.355 . . . . 0.0 110.692 -179.205 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.426 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 34.3 t -58.77 126.79 81.47 Favored Pre-proline 0 C--N 1.321 -0.636 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.018 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 7' ' ' CYS . 36.6 Cg_exo -58.12 -40.6 75.47 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.82 2.347 . . . . 0.0 112.373 -179.258 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.1 p -87.28 50.08 1.94 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.204 179.678 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.514 ' HH2' ' HB2' ' A' ' 19' ' ' PRO . 58.1 t-105 -140.02 116.8 10.92 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.505 -179.75 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 13.7 p-10 -143.58 29.27 1.41 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.592 0.711 . . . . 0.0 109.941 -179.637 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.2 m -131.02 164.28 25.73 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.125 -179.69 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 60.8 t -78.58 124.99 37.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.936 179.649 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.736 ' HB3' ' HB3' ' A' ' 39' ' ' ARG . 12.0 t -73.34 124.6 26.05 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.467 -179.559 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 43.4 mm -102.01 -24.46 4.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.05 179.561 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.724 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 19.5 t-20 -151.16 155.29 38.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.775 -179.635 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.5 ' O ' HG23 ' A' ' 21' ' ' VAL . 57.2 tttm -63.71 -30.87 71.92 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.646 -0.252 . . . . 0.0 111.433 -179.494 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.829 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 23.8 tptm -48.36 -59.43 6.04 Favored Pre-proline 0 CA--C 1.543 0.695 0 N-CA-C 112.133 0.42 . . . . 0.0 112.133 -179.234 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.829 ' HD3' ' HB3' ' A' ' 18' ' ' LYS . 92.3 Cg_exo -50.99 -42.91 50.62 Favored 'Trans proline' 0 C--N 1.358 1.072 0 C-N-CA 122.756 2.304 . . . . 0.0 112.612 179.47 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.504 ' HB2' ' SG ' ' A' ' 34' ' ' CYS . 38.9 t -62.7 -50.17 72.2 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.091 -179.566 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.608 HG12 ' HE2' ' A' ' 25' ' ' LYS . 49.9 t -57.86 -38.98 69.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.812 0.339 . . . . 0.0 110.615 179.69 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.18 -47.45 84.43 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.456 179.227 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.451 ' O ' ' HG3' ' A' ' 26' ' ' LYS . 6.7 t -62.51 -47.71 82.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.097 179.357 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.721 ' SG ' ' HA3' ' A' ' 32' ' ' GLY . 88.8 m -59.47 -44.15 93.08 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.624 -0.716 . . . . 0.0 112.058 -179.62 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.608 ' HE2' HG12 ' A' ' 21' ' ' VAL . 55.2 mtmt -64.96 -41.51 95.4 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.782 -0.367 . . . . 0.0 111.199 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.451 ' HG3' ' O ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -70.59 -17.09 62.9 Favored 'General case' 0 C--O 1.232 0.172 0 C-N-CA 120.294 -0.562 . . . . 0.0 110.059 178.718 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -94.61 4.39 53.9 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.998 179.201 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.407 ' HE3' ' HB2' ' A' ' 28' ' ' LYS . 34.8 ttmt 70.51 57.4 0.25 Allowed 'General case' 0 C--O 1.236 0.361 0 CA-C-N 115.208 -0.906 . . . . 0.0 111.725 179.559 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.682 ' HA ' ' HD3' ' A' ' 45' ' ' LYS . 41.9 m-85 -131.48 148.65 52.66 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 178.525 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.625 ' H ' ' HB3' ' A' ' 45' ' ' LYS . 11.4 m -62.31 -48.27 80.6 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.054 0.39 . . . . 0.0 112.054 -178.795 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -159.37 151.7 21.18 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.746 0.308 . . . . 0.0 110.651 -179.688 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.721 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -119.04 146.62 18.36 Favored Glycine 0 N--CA 1.444 -0.807 0 C-N-CA 120.875 -0.678 . . . . 0.0 112.864 -179.702 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 29.2 p80 -134.55 129.24 34.75 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.464 0.649 . . . . 0.0 110.576 179.682 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.504 ' SG ' ' HB2' ' A' ' 20' ' ' CYS . 61.6 m -75.21 141.98 43.51 Favored 'General case' 0 C--N 1.311 -1.094 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.527 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 14.0 p -77.9 -162.59 0.34 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.733 0.302 . . . . 0.0 110.231 179.584 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -108.34 -43.76 4.27 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -179.33 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 38.2 mt -61.11 -88.64 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.358 0 N-CA-C 112.615 0.598 . . . . 0.0 112.615 -177.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.465 ' HB3' ' HG3' ' A' ' 40' ' ' ARG . 26.4 tp -87.2 7.16 29.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.17 0.51 . . . . 0.0 111.243 -178.72 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.736 ' HB3' ' HB3' ' A' ' 14' ' ' CYS . 35.6 mmt180 59.86 31.45 20.76 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.488 -179.189 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.502 ' HD3' ' OE2' ' A' ' 6' ' ' GLU . 66.9 mtt-85 -61.67 135.91 57.8 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.635 -0.712 . . . . 0.0 109.919 179.145 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.471 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 44.3 t -78.79 92.75 4.87 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.094 -0.503 . . . . 0.0 112.051 -178.38 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.3 mp -81.32 118.14 22.39 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 178.397 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.51 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 84.8 m -92.91 142.13 27.66 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 120.719 0.295 . . . . 0.0 110.719 -179.772 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -129.96 140.75 50.87 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.057 -179.778 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.682 ' HD3' ' HA ' ' A' ' 29' ' ' PHE . 62.1 pttt -161.12 162.86 31.62 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.399 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.457 ' H ' ' HG2' ' A' ' 46' ' ' GLU . 11.7 pt-20 -78.31 146.9 34.5 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.158 179.237 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 21.5 p . . . . . 0 C--O 1.252 1.232 0 CA-C-O 117.463 -1.256 . . . . 0.0 109.375 -179.672 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.585 ' HA ' ' O ' ' A' ' 47' ' ' CYS . . . . . . . . 0 N--CA 1.478 0.94 0 CA-C-O 121.038 0.447 . . . . 0.0 110.856 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.5 m -152.73 88.23 1.33 Allowed 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.475 ' O ' ' HA ' ' A' ' 44' ' ' THR . 56.7 m -89.81 143.82 26.47 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 120.991 0.424 . . . . 0.0 112.099 -178.446 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 1.019 ' HG2' HG23 ' A' ' 44' ' ' THR . 36.8 mtmm -129.18 136.34 50.03 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.097 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -163.82 131.18 3.38 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 179.313 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.571 ' HA ' ' O ' ' A' ' 41' ' ' CYS . 4.6 mp0 -63.99 141.21 58.85 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.049 0.452 . . . . 0.0 111.219 -178.658 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.709 ' SG ' ' HB2' ' A' ' 10' ' ' TRP . 0.1 OUTLIER -49.14 124.04 13.25 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 114.833 -1.076 . . . . 0.0 109.808 179.136 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -54.09 -42.08 70.07 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 123.051 2.5 . . . . 0.0 112.517 -178.547 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.2 p -90.44 41.02 1.03 Allowed 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.045 179.435 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.709 ' HB2' ' SG ' ' A' ' 7' ' ' CYS . 23.5 t-105 -140.48 116.86 10.7 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-O 121.073 0.463 . . . . 0.0 111.283 -179.586 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -151.03 55.59 0.89 Allowed 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 178.355 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.1 m -154.62 178.41 10.13 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.07 -0.968 . . . . 0.0 110.144 -178.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.741 HG13 ' HG3' ' A' ' 39' ' ' ARG . 84.4 t -78.1 124.36 36.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.243 -179.529 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.885 ' H ' ' HB2' ' A' ' 39' ' ' ARG . 3.0 t -72.36 123.98 24.18 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.648 -0.705 . . . . 0.0 109.572 179.521 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 52.3 mt -99.13 -25.17 4.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 121.202 0.525 . . . . 0.0 110.729 -179.171 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.578 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 18.9 t-20 -155.1 153.58 31.07 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.874 -179.646 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 63.6 tttp -64.55 -34.64 78.72 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.605 -179.647 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.724 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 88.1 tttt -51.29 -57.94 12.36 Favored Pre-proline 0 CA--C 1.539 0.521 0 CA-C-O 119.246 -0.407 . . . . 0.0 111.965 -179.343 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.724 ' HD3' ' HB3' ' A' ' 18' ' ' LYS . 63.0 Cg_exo -47.12 -46.72 18.56 Favored 'Trans proline' 0 C--N 1.359 1.085 0 C-N-CA 122.779 2.319 . . . . 0.0 112.381 179.14 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 52.9 t -64.33 -52.21 59.54 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.133 -0.94 . . . . 0.0 110.856 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 80.2 t -56.49 -37.53 52.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.31 179.209 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.82 -47.4 85.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.335 178.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.423 ' O ' ' HG3' ' A' ' 26' ' ' LYS . 16.6 t -64.45 -49.59 70.87 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 121.495 0.664 . . . . 0.0 110.244 179.101 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.61 ' SG ' ' HA3' ' A' ' 32' ' ' GLY . 68.1 m -55.81 -43.95 77.38 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.902 -179.522 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.569 ' HE3' ' O ' ' A' ' 30' ' ' SER . 0.1 OUTLIER -63.96 -45.38 89.37 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.022 0.378 . . . . 0.0 112.022 -179.852 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.423 ' HG3' ' O ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -68.47 -16.06 63.76 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.984 179.714 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -102.5 11.23 38.21 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-O 120.898 0.38 . . . . 0.0 110.988 179.409 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 46.5 tttp 65.37 51.66 1.53 Allowed 'General case' 0 CA--C 1.54 0.578 0 CA-C-O 121.674 0.75 . . . . 0.0 112.514 179.288 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.523 ' HB2' ' HB3' ' A' ' 24' ' ' CYS . 50.2 m-85 -117.14 145.18 43.98 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 177.471 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.569 ' O ' ' HE3' ' A' ' 25' ' ' LYS . 8.9 m -60.39 -45.62 92.89 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -178.605 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -166.8 150.62 6.98 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.649 0.261 . . . . 0.0 110.897 -179.708 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.61 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -116.91 147.65 18.9 Favored Glycine 0 N--CA 1.445 -0.73 0 C-N-CA 120.954 -0.641 . . . . 0.0 112.83 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 20.7 p-80 -137.53 129.29 28.64 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.9 0.381 . . . . 0.0 110.211 179.629 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 4.7 m -69.67 135.96 50.51 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.098 -179.355 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.542 ' O ' ' HA ' ' A' ' 39' ' ' ARG . 22.6 t -69.15 174.09 4.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.206 179.496 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.416 ' HE2' ' HB2' ' A' ' 36' ' ' LYS . 15.4 tppt? -89.69 -41.19 12.06 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 -179.146 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 31.7 mt -71.65 -95.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 120.696 0.284 . . . . 0.0 111.233 -178.581 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 32.0 tp -73.34 -4.91 36.28 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 121.496 0.665 . . . . 0.0 110.266 179.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.885 ' HB2' ' H ' ' A' ' 14' ' ' CYS . 17.2 mmt85 64.1 33.94 11.59 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 114.822 -1.081 . . . . 0.0 110.459 -179.569 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.523 ' HB3' ' HG2' ' A' ' 6' ' ' GLU . 83.4 mtt-85 -58.42 140.25 54.1 Favored 'General case' 0 C--N 1.334 -0.104 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 179.004 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.571 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 24.6 t -74.48 93.43 2.46 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.372 -179.073 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 8.1 mp -78.94 113.94 17.47 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 178.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.45 ' HB3' ' CG ' ' A' ' 29' ' ' PHE . 73.2 m -96.22 131.08 43.08 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 121.012 0.434 . . . . 0.0 111.149 -179.687 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 1.019 HG23 ' HG2' ' A' ' 4' ' ' LYS . 0.1 OUTLIER -106.2 147.34 29.17 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 178.225 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.495 ' HB3' ' CD2' ' A' ' 29' ' ' PHE . 14.1 pttp -160.4 -168.68 2.23 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 113.633 0.975 . . . . 0.0 113.633 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.434 ' HG2' ' H ' ' A' ' 46' ' ' GLU . 10.2 pt-20 -77.44 138.46 39.27 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 113.171 -1.831 . . . . 0.0 112.624 -178.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.585 ' O ' ' HA ' ' A' ' 1' ' ' ALA . 18.2 p . . . . . 0 C--O 1.249 1.079 0 CA-C-O 117.261 -1.352 . . . . 0.0 108.64 177.554 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.965 0 CA-C-O 121.096 0.474 . . . . 0.0 110.374 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 6.0 m -101.08 112.01 24.37 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 179.515 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.528 ' O ' ' HA ' ' A' ' 44' ' ' THR . 64.1 m -117.51 135.19 54.1 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 112.768 0.655 . . . . 0.0 112.768 -177.024 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.745 ' HD3' ' HG ' ' A' ' 42' ' ' LEU . 0.5 OUTLIER -122.7 131.81 53.97 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.274 -0.875 . . . . 0.0 109.52 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.578 ' N ' ' HD2' ' A' ' 4' ' ' LYS . . . -159.92 127.55 4.67 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 178.763 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.658 ' HG3' HD12 ' A' ' 42' ' ' LEU . 43.9 mp0 -63.94 136.34 57.26 Favored 'General case' 0 N--CA 1.446 -0.658 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 -179.637 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.442 ' HB2' ' SG ' ' A' ' 43' ' ' CYS . 23.4 t -54.07 124.5 45.5 Favored Pre-proline 0 C--N 1.32 -0.696 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.151 -179.098 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -55.79 -41.98 71.86 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.967 2.445 . . . . 0.0 112.146 -179.028 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.2 p -87.32 51.97 2.38 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.745 179.171 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 51.3 t-105 -147.02 126.22 12.98 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.769 -179.538 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -150.35 18.97 0.84 Allowed 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.314 179.625 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.9 t -114.21 -172.98 2.2 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.997 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.461 HG13 ' HG3' ' A' ' 39' ' ' ARG . 92.3 t -91.32 120.93 41.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.311 -179.711 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.569 ' SG ' ' HB2' ' A' ' 20' ' ' CYS . 20.2 t -79.63 118.91 21.9 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 179.036 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 64.8 mt -99.38 -48.93 11.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-O 120.968 0.413 . . . . 0.0 110.679 -179.312 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.654 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 37.4 t30 -125.19 164.88 19.31 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.015 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.43 ' O ' HG23 ' A' ' 21' ' ' VAL . 3.0 mmmp? -60.13 -36.93 78.59 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.014 0.375 . . . . 0.0 112.014 -179.56 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.705 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 22.4 tptm -47.93 -59.51 5.68 Favored Pre-proline 0 N--CA 1.472 0.626 0 N-CA-C 113.25 0.833 . . . . 0.0 113.25 -178.131 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.705 ' HD3' ' HB3' ' A' ' 18' ' ' LYS . 96.3 Cg_exo -50.14 -46.84 26.47 Favored 'Trans proline' 0 C--N 1.355 0.884 0 C-N-CA 122.272 1.981 . . . . 0.0 112.369 179.71 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.569 ' HB2' ' SG ' ' A' ' 14' ' ' CYS . 15.7 t -67.37 -51.37 52.85 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 114.952 -1.022 . . . . 0.0 111.038 -179.415 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.445 ' O ' ' HG2' ' A' ' 25' ' ' LYS . 76.7 t -55.44 -40.82 59.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.565 -0.289 . . . . 0.0 110.732 179.588 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.63 -49.14 78.73 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-O 120.782 0.325 . . . . 0.0 110.408 179.158 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 4.7 t -60.97 -46.86 89.01 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.593 0.711 . . . . 0.0 109.527 178.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.674 ' SG ' ' HA3' ' A' ' 32' ' ' GLY . 81.4 m -62.01 -36.24 80.94 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.021 179.385 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.746 ' HA ' ' HE3' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -60.63 -51.89 67.46 Favored 'General case' 0 CA--C 1.52 -0.179 0 CA-C-O 120.481 0.181 . . . . 0.0 110.751 179.602 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.28 -17.9 64.4 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.196 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -94.65 7.52 45.45 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.208 179.171 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.48 ' O ' ' HD2' ' A' ' 45' ' ' LYS . 12.6 tptp 66.71 37.44 4.28 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-O 121.908 0.861 . . . . 0.0 112.252 179.347 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.61 ' HB2' ' HB3' ' A' ' 24' ' ' CYS . 62.1 m-85 -107.72 145.7 33.1 Favored 'General case' 0 C--N 1.318 -0.765 0 O-C-N 121.237 -0.914 . . . . 0.0 109.744 177.51 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.3 m -58.85 -49.81 76.36 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.806 -178.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -159.07 154.06 25.03 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.597 -0.274 . . . . 0.0 110.528 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.674 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -122.17 140.9 13.89 Favored Glycine 0 N--CA 1.442 -0.936 0 CA-C-N 115.926 -0.579 . . . . 0.0 112.237 -179.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 26.4 p80 -132.22 135.32 46.22 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.1 0.476 . . . . 0.0 110.86 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.504 ' HB3' ' HB3' ' A' ' 14' ' ' CYS . 3.6 m -65.88 138.28 57.76 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.467 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.747 ' HB3' HD13 ' A' ' 42' ' ' LEU . 14.0 p -87.31 -156.69 0.35 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.076 0.465 . . . . 0.0 110.87 179.528 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.407 ' H ' ' HB2' ' A' ' 35' ' ' SER . 62.8 tttp -125.26 -35.85 2.56 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.626 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 61.0 mt -54.63 -55.06 17.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -178.563 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.446 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 23.5 tp -140.76 23.03 2.29 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.758 0.79 . . . . 0.0 109.701 -179.756 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.461 ' HG3' HG13 ' A' ' 13' ' ' VAL . 26.1 mmm180 53.28 28.79 7.65 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 114.659 -1.155 . . . . 0.0 111.099 -179.123 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 63.1 mtt-85 -67.42 143.44 56.28 Favored 'General case' 0 N--CA 1.449 -0.475 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 179.073 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.497 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 39.6 t -72.86 99.57 2.69 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.579 -178.61 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.747 HD13 ' HB3' ' A' ' 35' ' ' SER . 10.4 mp -82.35 112.65 19.52 Favored 'General case' 0 CA--C 1.515 -0.386 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 178.388 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.606 ' HB3' ' CG ' ' A' ' 29' ' ' PHE . 88.7 m -95.77 135.9 36.88 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.603 -179.452 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.528 ' HA ' ' O ' ' A' ' 3' ' ' CYS . 7.1 p -117.2 138.36 51.74 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 109.754 -0.462 . . . . 0.0 109.754 178.839 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.487 ' HB3' ' HA ' ' A' ' 29' ' ' PHE . 7.5 pttp -160.09 177.48 10.66 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.361 0.601 . . . . 0.0 110.838 -179.359 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.536 ' CD ' ' H ' ' A' ' 46' ' ' GLU . 0.4 OUTLIER -82.51 132.53 35.2 Favored 'General case' 0 C--N 1.312 -1.033 0 CA-C-N 114.384 -1.28 . . . . 0.0 112.488 -179.118 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.257 1.452 0 CA-C-O 117.592 -1.194 . . . . 0.0 109.008 177.319 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.935 0 N-CA-C 110.251 -0.278 . . . . 0.0 110.251 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 25.8 m -149.11 103.86 3.37 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.37 0.605 . . . . 0.0 110.071 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 94.0 m -97.72 146.11 25.68 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.435 -179.52 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.603 ' HB3' HG23 ' A' ' 44' ' ' THR . 24.3 pttm -150.12 138.79 20.75 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.276 0.56 . . . . 0.0 111.399 179.65 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -161.44 149.99 15.76 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 114.631 -1.168 . . . . 0.0 108.473 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.646 ' OE1' ' HD3' ' A' ' 40' ' ' ARG . 7.5 mt-10 -62.55 143.32 57.36 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.705 0.288 . . . . 0.0 110.582 -179.04 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 34.9 t -56.11 129.35 73.24 Favored Pre-proline 0 C--N 1.325 -0.475 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.073 -179.491 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -52.71 -41.49 69.03 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 123.154 2.569 . . . . 0.0 112.489 -179.036 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 37.7 p -93.66 50.52 1.47 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.584 179.335 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.404 ' HH2' ' HB2' ' A' ' 19' ' ' PRO . 6.4 t-105 -155.9 135.02 12.11 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.03 0.443 . . . . 0.0 110.562 -179.502 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -150.96 -28.18 0.2 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.63 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.3 m -72.64 175.31 6.49 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.327 -0.852 . . . . 0.0 112.626 -178.119 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.579 HG13 ' HB3' ' A' ' 39' ' ' ARG . 86.2 t -78.18 126.53 38.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.202 -0.908 . . . . 0.0 111.088 -179.657 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.435 ' HB3' ' O ' ' A' ' 39' ' ' ARG . 0.1 OUTLIER -75.54 137.75 41.06 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.442 179.742 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 61.6 mt -98.67 -38.71 7.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.507 179.447 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.65 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 46.2 t30 -144.63 157.25 44.29 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.394 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.482 ' O ' HG23 ' A' ' 21' ' ' VAL . 58.7 tttm -63.82 -33.56 75.96 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 -178.62 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.734 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 88.4 tttt -51.39 -57.58 13.73 Favored Pre-proline 0 N--CA 1.472 0.637 0 N-CA-C 112.2 0.444 . . . . 0.0 112.2 -178.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.734 ' HD3' ' HB3' ' A' ' 18' ' ' LYS . 72.3 Cg_exo -52.33 -40.51 70.35 Favored 'Trans proline' 0 C--N 1.359 1.093 0 C-N-CA 122.335 2.023 . . . . 0.0 111.984 179.297 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 46.0 t -62.94 -49.45 74.7 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.363 179.557 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 17' ' ' LYS . 89.2 t -57.9 -38.48 66.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.769 179.281 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.74 -46.32 88.61 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.84 0.352 . . . . 0.0 110.441 179.269 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.628 ' HA ' ' HE2' ' A' ' 26' ' ' LYS . 4.6 t -62.07 -44.52 96.51 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.636 0.732 . . . . 0.0 109.772 179.174 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 71.2 m -66.17 -42.3 89.13 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.17 -0.923 . . . . 0.0 112.004 -179.647 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -62.23 -45.76 91.88 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.824 -0.171 . . . . 0.0 111.012 -179.366 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.628 ' HE2' ' HA ' ' A' ' 23' ' ' CYS . 52.9 pttt -66.64 -29.04 68.97 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.87 0.367 . . . . 0.0 110.228 178.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -80.66 7.39 10.27 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.508 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.9 ttpt 72.72 36.08 0.99 Allowed 'General case' 0 CA--C 1.54 0.595 0 CA-C-O 121.369 0.604 . . . . 0.0 111.886 178.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 42.5 m-85 -113.46 146.63 39.26 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 177.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -71.77 -43.73 65.23 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 112.67 0.619 . . . . 0.0 112.67 -178.132 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -132.71 163.73 28.34 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.26 0.553 . . . . 0.0 111.589 -178.31 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -145.07 127.36 2.85 Favored Glycine 0 N--CA 1.44 -1.057 0 N-CA-C 109.97 -1.252 . . . . 0.0 109.97 178.129 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 33.1 p-80 -135.47 132.23 37.11 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.162 0.506 . . . . 0.0 110.968 -178.651 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 36.0 m -74.1 129.54 38.05 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.839 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.749 ' HB2' HD13 ' A' ' 42' ' ' LEU . 28.3 t -66.28 166.25 12.47 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.373 -179.376 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -88.82 -24.82 22.48 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.575 179.672 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.413 ' H ' HG13 ' A' ' 37' ' ' ILE . 9.2 mt -69.98 -104.5 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.535 -178.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.426 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 22.3 tp -79.05 13.34 1.82 Allowed 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 121.461 0.648 . . . . 0.0 110.775 -179.658 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.579 ' HB3' HG13 ' A' ' 13' ' ' VAL . 21.9 tpt180 59.44 29.11 18.63 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.012 -0.994 . . . . 0.0 110.688 179.682 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.646 ' HD3' ' OE1' ' A' ' 6' ' ' GLU . 44.3 mtt-85 -71.72 146.77 47.96 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.866 179.557 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.578 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 35.9 t -78.57 108.1 11.72 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -178.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.749 HD13 ' HB2' ' A' ' 35' ' ' SER . 9.8 mp -93.55 122.18 35.72 Favored 'General case' 0 CA--C 1.52 -0.178 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 178.28 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.6 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 82.1 m -97.16 129.35 44.54 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.661 -179.24 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.603 HG23 ' HB3' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -110.65 146.27 36.49 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.513 179.227 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.5 169.39 21.91 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.081 0.467 . . . . 0.0 110.806 179.606 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.419 ' H ' ' CD ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -79.64 152.47 29.98 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.68 177.648 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 24.5 p . . . . . 0 C--O 1.252 1.223 0 CA-C-O 117.421 -1.276 . . . . 0.0 109.042 179.847 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.11 0 CA-C-O 120.642 0.258 . . . . 0.0 110.395 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.0 m -99.4 111.73 24.04 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 179.349 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.423 ' O ' ' HA ' ' A' ' 44' ' ' THR . 29.5 m -89.98 132.84 35.14 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.016 0.436 . . . . 0.0 111.217 -179.373 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.545 ' HD2' ' N ' ' A' ' 5' ' ' ALA . 0.4 OUTLIER -122.2 131.27 53.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.738 -179.666 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.545 ' N ' ' HD2' ' A' ' 4' ' ' LYS . . . -160.77 134.52 6.88 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 178.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.537 ' OE2' ' HG ' ' A' ' 42' ' ' LEU . 10.0 mp0 -65.52 139.78 58.51 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 -179.62 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 36.8 t -52.85 124.67 36.75 Favored Pre-proline 0 C--N 1.323 -0.554 0 O-C-N 123.511 0.507 . . . . 0.0 110.216 -179.306 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -54.77 -42.78 65.41 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.947 2.432 . . . . 0.0 112.35 -178.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 23.0 p -91.14 46.32 1.31 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.722 179.368 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 37.4 t-105 -142.59 121.56 12.82 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.13 0.491 . . . . 0.0 111.141 -179.589 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -150.63 57.27 0.93 Allowed 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 178.729 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 46.1 m -151.23 176.7 10.96 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.542 -178.716 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.477 HG13 ' HG2' ' A' ' 39' ' ' ARG . 76.0 t -78.65 117.07 23.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.409 -179.44 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.717 ' SG ' ' HB2' ' A' ' 20' ' ' CYS . 10.9 t -89.36 116.54 27.63 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.817 -0.628 . . . . 0.0 109.465 179.325 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 63.7 mt -113.83 -52.56 5.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 121.053 0.454 . . . . 0.0 110.318 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.547 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 51.2 t30 -91.23 143.69 26.39 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.437 179.666 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.53 ' O ' HG23 ' A' ' 21' ' ' VAL . 25.1 tptp -61.47 -42.47 98.83 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.693 -0.685 . . . . 0.0 112.445 -178.832 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.638 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 88.6 tttt -51.23 -55.5 28.05 Favored Pre-proline 0 CA--C 1.542 0.662 0 N-CA-C 113.625 0.972 . . . . 0.0 113.625 -178.055 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.638 ' HD3' ' HB3' ' A' ' 18' ' ' LYS . 92.4 Cg_exo -49.15 -45.48 29.43 Favored 'Trans proline' 0 C--N 1.357 0.99 0 C-N-CA 122.469 2.112 . . . . 0.0 112.766 -179.696 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.717 ' HB2' ' SG ' ' A' ' 14' ' ' CYS . 21.2 t -65.65 -49.24 69.36 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.718 -0.673 . . . . 0.0 110.648 -179.835 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.53 HG23 ' O ' ' A' ' 17' ' ' LYS . 65.1 t -57.07 -39.05 63.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.692 179.386 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.513 ' O ' ' HG2' ' A' ' 26' ' ' LYS . . . -62.98 -49.56 74.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.538 179.386 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.543 ' O ' ' HG3' ' A' ' 26' ' ' LYS . 4.9 t -60.6 -44.43 96.29 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-O 121.505 0.669 . . . . 0.0 109.896 179.335 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.565 ' SG ' ' HA3' ' A' ' 32' ' ' GLY . 83.3 m -66.6 -37.93 85.92 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.865 -179.84 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.426 ' HD3' ' HA ' ' A' ' 25' ' ' LYS . 0.1 OUTLIER -64.42 -45.4 87.71 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 121.221 -0.192 . . . . 0.0 110.835 -179.239 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.543 ' HG3' ' O ' ' A' ' 23' ' ' CYS . 13.4 ptmt -67.11 -30.39 70.4 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 121.063 0.459 . . . . 0.0 109.763 178.151 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.26 -6.29 47.03 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.844 179.058 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.613 ' NZ ' ' HB2' ' A' ' 28' ' ' LYS . 1.6 ttmp? 78.93 36.02 0.18 Allowed 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 123.902 0.881 . . . . 0.0 111.718 179.21 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.431 ' CG ' ' HB3' ' A' ' 43' ' ' CYS . 25.1 m-85 -109.28 149.04 30.04 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 178.231 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 23.7 t -61.18 -48.51 81.2 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.076 0.399 . . . . 0.0 112.076 -178.454 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -156.11 153.56 29.54 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.794 0.331 . . . . 0.0 111.52 -179.119 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.565 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -121.51 144.38 16.49 Favored Glycine 0 N--CA 1.447 -0.623 0 CA-C-N 115.753 -0.658 . . . . 0.0 112.211 179.723 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 24.0 p-80 -135.64 133.67 38.43 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.762 0.315 . . . . 0.0 110.734 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.416 ' HB3' ' HB3' ' A' ' 14' ' ' CYS . 43.2 m -66.79 132.9 49.03 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.323 -179.632 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.833 ' HB2' HD13 ' A' ' 42' ' ' LEU . 37.3 t -77.02 156.13 32.06 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.572 179.583 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 48.7 tttm -88.07 -25.86 22.84 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.305 179.207 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.412 ' HB ' ' H ' ' A' ' 38' ' ' LEU . 10.3 mt -68.85 -102.16 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.06 -179.267 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.412 ' H ' ' HB ' ' A' ' 37' ' ' ILE . 21.4 tp -82.98 13.81 3.73 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.46 0.647 . . . . 0.0 110.723 -179.742 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.562 ' HA ' ' O ' ' A' ' 35' ' ' SER . 0.2 OUTLIER 58.26 29.06 17.5 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.048 -0.978 . . . . 0.0 111.911 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 80.2 mtt-85 -72.85 150.57 42.56 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.985 -0.286 . . . . 0.0 110.446 178.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.445 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 26.0 t -80.72 106.31 12.63 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.559 -0.291 . . . . 0.0 110.308 179.75 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.833 HD13 ' HB2' ' A' ' 35' ' ' SER . 10.7 mp -87.21 119.57 27.59 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.119 179.668 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.431 ' HB3' ' CG ' ' A' ' 29' ' ' PHE . 82.6 m -98.69 135.72 39.78 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-O 120.928 0.394 . . . . 0.0 110.428 179.703 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.423 ' HA ' ' O ' ' A' ' 3' ' ' CYS . 0.5 OUTLIER -123.17 141.04 52.39 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.23 179.579 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.818 ' HB2' ' HZ2' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -155.83 173.62 16.49 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.629 0.728 . . . . 0.0 111.143 -179.335 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 11.0 pm0 -78.35 147.25 34.25 Favored 'General case' 0 C--N 1.31 -1.14 0 CA-C-N 113.906 -1.497 . . . . 0.0 110.878 -179.5 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 30.0 p . . . . . 0 C--O 1.254 1.316 0 CA-C-O 117.731 -1.128 . . . . 0.0 108.422 179.583 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.453 ' O ' ' HA ' ' A' ' 46' ' ' GLU . . . . . . . . 0 N--CA 1.479 0.982 0 CA-C-O 121.127 0.489 . . . . 0.0 110.316 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.0 m -95.51 87.66 4.82 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.977 -179.757 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 58.2 m -90.07 133.46 34.83 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.734 -0.667 . . . . 0.0 111.589 -178.42 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.541 ' HD2' ' N ' ' A' ' 5' ' ' ALA . 0.5 OUTLIER -134.93 131.02 36.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.885 -179.461 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.541 ' N ' ' HD2' ' A' ' 4' ' ' LYS . . . -156.88 141.61 16.89 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.427 179.314 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -64.75 139.53 58.77 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.452 ' HB2' ' SG ' ' A' ' 43' ' ' CYS . 34.6 t -57.13 123.16 58.66 Favored Pre-proline 0 C--N 1.322 -0.603 0 O-C-N 123.253 0.346 . . . . 0.0 110.313 -179.5 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -58.39 -41.77 62.35 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.831 2.354 . . . . 0.0 111.904 -179.395 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 40.8 p -87.19 46.27 1.36 Allowed 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.543 179.396 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 50.6 t-105 -144.43 124.54 13.65 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.672 -178.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -150.31 60.06 0.96 Allowed 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 179.208 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 57.7 m -160.45 162.51 33.2 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.349 -178.626 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.751 HG13 ' HB3' ' A' ' 39' ' ' ARG . 95.2 t -78.93 127.35 39.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 178.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.423 ' HB3' ' HG3' ' A' ' 39' ' ' ARG . 5.3 t -68.55 135.19 51.16 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.258 0.551 . . . . 0.0 112.082 -178.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 51.2 mm -105.01 -40.08 5.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.676 178.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.641 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 20.5 t-20 -140.69 156.02 46.33 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.467 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.489 ' O ' HG23 ' A' ' 21' ' ' VAL . 57.8 tttm -63.71 -34.56 78.13 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 111.97 0.359 . . . . 0.0 111.97 -179.14 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.708 ' HB2' ' HD3' ' A' ' 19' ' ' PRO . 57.9 mtpt -50.27 -57.97 11.21 Favored Pre-proline 0 N--CA 1.472 0.642 0 N-CA-C 112.252 0.464 . . . . 0.0 112.252 -179.16 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.708 ' HD3' ' HB2' ' A' ' 18' ' ' LYS . 81.3 Cg_exo -50.55 -41.13 53.93 Favored 'Trans proline' 0 C--N 1.359 1.091 0 C-N-CA 122.392 2.061 . . . . 0.0 112.177 179.222 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 47.8 t -64.46 -50.09 68.88 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.627 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.489 HG23 ' O ' ' A' ' 17' ' ' LYS . 60.7 t -58.15 -41.2 80.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.47 179.326 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.04 -42.92 99.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.13 0.491 . . . . 0.0 110.169 179.242 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.713 ' HA ' ' HZ2' ' A' ' 26' ' ' LYS . 8.0 t -63.56 -51.57 64.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.647 179.045 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.52 ' SG ' ' HA3' ' A' ' 32' ' ' GLY . 84.3 m -60.5 -39.95 89.6 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.114 -0.948 . . . . 0.0 111.759 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.92 -40.36 96.29 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.738 -179.493 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.713 ' HZ2' ' HA ' ' A' ' 23' ' ' CYS . 6.1 ptpp? -68.34 -29.32 68.03 Favored 'General case' 0 CA--C 1.529 0.166 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 178.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -82.81 7.81 14.11 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.096 179.414 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 75.1 tttt 67.7 36.12 3.74 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 115.569 -0.741 . . . . 0.0 112.303 179.081 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -104.21 146.58 28.57 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.257 -0.645 . . . . 0.0 109.257 177.659 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.2 m -57.96 -49.28 77.33 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.254 -0.43 . . . . 0.0 112.114 -178.461 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -157.98 150.42 22.39 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.882 0.372 . . . . 0.0 111.24 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.52 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -113.06 141.39 16.89 Favored Glycine 0 N--CA 1.445 -0.711 0 CA-C-N 115.852 -0.613 . . . . 0.0 112.657 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.495 ' HE1' HG23 ' A' ' 44' ' ' THR . 40.4 p-80 -133.62 129.23 36.64 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.202 0.525 . . . . 0.0 110.22 179.292 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 61.8 m -75.04 142.27 43.8 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.895 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.425 ' HB3' ' CD1' ' A' ' 42' ' ' LEU . 5.6 p -79.39 -157.03 0.12 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.811 0.339 . . . . 0.0 110.701 179.651 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.403 ' H ' ' HB2' ' A' ' 35' ' ' SER . 40.9 ttmt -129.02 -46.75 1.23 Allowed 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 111.891 0.33 . . . . 0.0 111.891 -179.809 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 62.7 mt -61.3 -66.85 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 CA-C-O 120.738 0.304 . . . . 0.0 111.754 -178.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.568 ' HB3' ' HG2' ' A' ' 40' ' ' ARG . 28.6 tp -91.78 -12.49 33.67 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.362 0.601 . . . . 0.0 109.779 179.82 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.751 ' HB3' HG13 ' A' ' 13' ' ' VAL . 8.2 tpt180 61.08 32.75 19.72 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 114.949 -1.023 . . . . 0.0 110.982 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.568 ' HG2' ' HB3' ' A' ' 38' ' ' LEU . 10.7 ptt85 -83.08 163.23 21.04 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.791 178.321 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 40.3 t -85.2 107.21 17.15 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 -178.482 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.427 ' HB3' ' HD3' ' A' ' 4' ' ' LYS . 10.0 mp -89.98 119.86 30.7 Favored 'General case' 0 C--N 1.334 -0.1 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 177.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.507 ' O ' ' HA ' ' A' ' 4' ' ' LYS . 86.3 m -96.53 136.77 36.58 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-O 120.888 0.375 . . . . 0.0 110.956 -179.814 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.495 HG23 ' HE1' ' A' ' 33' ' ' HIS . 0.1 OUTLIER -123.05 137.79 54.85 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.436 179.241 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 14.4 pttp -162.37 164.14 27.47 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.939 179.506 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.453 ' HA ' ' O ' ' A' ' 1' ' ' ALA . 0.8 OUTLIER -80.67 136.4 36.19 Favored 'General case' 0 C--N 1.313 -0.978 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.872 179.153 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.244 0.766 0 CA-C-O 118.671 -0.681 . . . . 0.0 109.258 178.67 . . . . . . . . 1 1 . 1 stop_ save_