data_6pv3_residue ############################ # Computer software used # ############################ save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 6pv3 _Structure_validation_residue.Date_analyzed 2020-06-19 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 ' 1' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_exo . . . . . 0 N--CA 1.479 0.644 0 N-CA-C 110.502 -0.615 . . . . 2.09 110.502 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 58.3 m-85 . . . . . 0 C--N 1.323 -0.576 0 N-CA-C 109.308 -0.627 . . . . 0.51 109.308 179.93 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 44.7 t . . . . . 0 N--CA 1.445 -0.699 0 N-CA-C 110.017 -0.364 . . . . 1.71 110.017 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 13.5 p -93.87 47.64 1.23 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.186 -0.461 . . . . 2.12 111.133 -178.055 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 51.9 t-105 . . . . . 0 C--N 1.326 -0.447 0 CA-C-N 116.119 -0.491 . . . . 1.06 109.891 179.734 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.503 0 N-CA-C 112.144 -0.382 . . . . 1.03 112.144 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 6.5 t -124.07 -179.08 4.28 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.635 -0.505 . . . . 1.94 109.635 -178.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 163.84 57.68 0.02 OUTLIER Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 121.028 -0.606 . . . . 1.03 111.936 -178.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp . . . . . 0 C--N 1.325 -0.491 0 N-CA-C 110.108 -0.33 . . . . 1.93 110.108 -177.637 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 . . . . . 0 N--CA 1.454 -0.253 0 CA-C-O 120.765 0.317 . . . . 0.41 110.514 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.8 t -93.23 -1.58 56.04 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.212 0.53 . . . . 1.99 110.648 -178.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -129.7 125.48 36.06 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.974 -0.557 . . . . 3.13 110.131 177.378 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 22.9 t . . . . . 0 C--N 1.327 -0.389 0 CA-C-N 115.701 -0.682 . . . . 1.61 109.79 -179.561 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 70.0 mm-40 . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 111.593 0.22 . . . . 2.68 111.593 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -65.9 -52.35 50.77 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 110.009 -0.367 . . . . 1.53 110.009 178.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 23.9 tp60 . . . . . 0 C--N 1.327 -0.398 0 CA-C-N 116.511 -0.313 . . . . 2.45 111.143 -178.689 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.552 ' O ' HG21 ' A' ' 25' ' ' THR . 25.7 t60 . . . . . 0 N--CA 1.447 -0.579 0 N-CA-C 110.68 -0.118 . . . . 0.27 110.68 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 19.9 tptm . . . . . 0 N--CA 1.467 0.376 0 CA-C-O 121.246 0.546 . . . . 1.62 109.56 -175.178 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.552 HG21 ' O ' ' A' ' 22' ' ' HIS . 10.1 t . . . . . 0 N--CA 1.456 -0.142 0 N-CA-C 111.616 0.228 . . . . 1.98 111.616 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 67.3 m-70 . . . . . 0 C--N 1.324 -0.524 0 N-CA-C 109.695 -0.483 . . . . 0.38 109.695 179.863 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.475 0.427 0 N-CA-C 110.411 -0.65 . . . . 2.09 110.411 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 . . . . . 0 C--N 1.323 -0.557 0 N-CA-C 109.386 -0.598 . . . . 0.51 109.386 -179.737 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 50.6 t . . . . . 0 N--CA 1.445 -0.701 0 N-CA-C 109.885 -0.413 . . . . 1.71 109.885 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 13.4 p -88.31 50.08 1.91 Allowed 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.266 0.555 . . . . 2.12 111.031 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 32.7 t-105 . . . . . 0 C--N 1.325 -0.484 0 CA-C-N 115.823 -0.626 . . . . 1.06 109.349 179.027 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.377 0 N-CA-C 112.626 -0.19 . . . . 1.03 112.626 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 7.9 t -131.6 160.03 36.52 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.827 -0.434 . . . . 1.94 109.827 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -172.46 57.97 0.16 Allowed Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.74 -0.743 . . . . 1.03 112.449 -179.627 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 30.0 mtpp . . . . . 0 C--N 1.324 -0.541 0 N-CA-C 110.136 -0.32 . . . . 1.93 110.136 179.695 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 109.551 -0.537 . . . . 0.41 109.551 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.0 t -88.74 -6.57 57.33 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.822 0.344 . . . . 1.99 111.145 -176.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 62.6 mtm180 -124.13 128.14 48.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.933 0.397 . . . . 3.13 110.268 177.473 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 18.6 t . . . . . 0 C--N 1.331 -0.218 0 CA-C-N 115.304 -0.862 . . . . 1.61 110.575 -176.568 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 . . . . . 0 N--CA 1.451 -0.406 0 CA-C-O 120.45 0.167 . . . . 2.68 111.376 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -66.44 -56.21 12.04 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.603 -0.271 . . . . 1.53 110.6 -179.528 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 . . . . . 0 C--N 1.323 -0.567 0 CA-C-O 120.729 0.3 . . . . 2.45 111.401 -176.084 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.564 ' O ' HG21 ' A' ' 25' ' ' THR . 42.2 t60 . . . . . 0 N--CA 1.45 -0.434 0 N-CA-C 111.364 0.135 . . . . 0.27 111.364 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.4 tppt? . . . . . 0 N--CA 1.468 0.431 0 CA-C-O 121.435 0.636 . . . . 1.62 110.066 -176.138 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.564 HG21 ' O ' ' A' ' 22' ' ' HIS . 14.8 t . . . . . 0 CA--C 1.532 0.252 0 N-CA-C 112.015 0.376 . . . . 1.98 112.015 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 88.1 m-70 . . . . . 0 C--N 1.33 -0.273 0 CA-C-O 121.434 0.635 . . . . 0.38 109.425 178.903 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 8.8 Cg_endo . . . . . 0 N--CA 1.477 0.543 0 N-CA-C 110.272 -0.703 . . . . 2.09 110.272 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 . . . . . 0 C--N 1.325 -0.496 0 N-CA-C 109.398 -0.593 . . . . 0.51 109.398 179.557 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.6 t . . . . . 0 N--CA 1.451 -0.388 0 CA-C-O 121.051 0.453 . . . . 1.71 111.037 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.3 m 70.12 11.57 7.61 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 115.314 -0.857 . . . . 2.12 111.664 174.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 31.2 t-105 . . . . . 0 N--CA 1.45 -0.425 0 N-CA-C 109.053 -0.721 . . . . 1.06 109.053 174.396 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 113.49 0.156 . . . . 1.03 113.49 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 19.2 t -87.66 -60.12 2.06 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 117.099 0.449 . . . . 1.94 110.474 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 66.87 65.24 2.87 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.816 -0.707 . . . . 1.03 112.588 177.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 42.9 mmtm . . . . . 0 C--N 1.325 -0.467 0 N-CA-C 110.499 -0.186 . . . . 1.93 110.499 179.153 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 73.7 m-85 . . . . . 0 N--CA 1.455 -0.18 0 N-CA-C 110.136 -0.32 . . . . 0.41 110.136 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 15.1 t -93.2 2.18 56.77 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.873 0.368 . . . . 1.99 111.113 -176.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 78.0 mtp180 -132.93 120.93 22.1 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.394 -0.366 . . . . 3.13 110.081 177.374 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 12.5 p . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 115.448 -0.796 . . . . 1.61 110.976 -175.463 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 . . . . . 0 N--CA 1.454 -0.232 0 CA-C-O 120.599 0.238 . . . . 2.68 111.198 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -69.09 -52.72 25.51 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 110.023 -0.362 . . . . 1.53 110.023 177.319 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 . . . . . 0 C--N 1.324 -0.5 0 CA-C-N 116.27 -0.423 . . . . 2.45 110.797 179.575 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.456 ' O ' HG23 ' A' ' 25' ' ' THR . 43.3 t60 . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 111.758 0.281 . . . . 0.27 111.758 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.0 tppp? . . . . . 0 N--CA 1.466 0.333 0 CA-C-O 121.136 0.493 . . . . 1.62 109.895 -176.121 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.456 HG23 ' O ' ' A' ' 22' ' ' HIS . 6.5 t . . . . . 0 CA--C 1.534 0.339 0 CA-C-O 120.647 0.26 . . . . 1.98 111.489 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 93.2 m-70 . . . . . 0 C--N 1.329 -0.299 0 CA-C-O 121.259 0.552 . . . . 0.38 109.963 177.937 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_exo . . . . . 0 N--CA 1.48 0.699 0 N-CA-C 110.471 -0.627 . . . . 2.09 110.471 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . 0.432 ' CE2' ' HB3' ' A' ' 16' ' ' SER . 98.3 m-85 . . . . . 0 C--N 1.324 -0.524 0 N-CA-C 109.677 -0.49 . . . . 0.51 109.677 -179.181 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.406 ' SG ' ' HB2' ' A' ' 6' ' ' TRP . 37.5 t . . . . . 0 N--CA 1.447 -0.617 0 N-CA-C 109.207 -0.664 . . . . 1.71 109.207 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.1 m 56.18 39.95 30.18 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.586 0.708 . . . . 2.12 110.866 178.258 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.544 ' HB3' ' HB3' ' A' ' 9' ' ' CYS . 28.0 t-105 . . . . . 0 C--N 1.324 -0.515 0 N-CA-C 107.882 -1.155 . . . . 1.06 107.882 173.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 0.259 0 N-CA-C 113.273 0.069 . . . . 1.03 113.273 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.544 ' HB3' ' HB3' ' A' ' 6' ' ' TRP . 49.8 t -143.49 89.91 2.12 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.828 0.347 . . . . 1.94 111.313 -176.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -99.24 43.83 1.78 Allowed Glycine 0 CA--C 1.517 0.177 0 C-N-CA 121.11 -0.567 . . . . 1.03 112.077 179.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 70.5 mmtt . . . . . 0 C--N 1.328 -0.363 0 C-N-CA 122.703 0.401 . . . . 1.93 111.559 -178.992 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 . . . . . 0 C--O 1.233 0.222 0 CA-C-O 121.081 0.467 . . . . 0.41 110.819 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 24.2 m -88.07 -32.41 18.76 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.593 -0.731 . . . . 1.99 111.763 -174.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -120.61 144.13 48.3 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.049 0.452 . . . . 3.13 111.162 179.565 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.432 ' HB3' ' CE2' ' A' ' 2' ' ' PHE . 18.1 p . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 115.154 -0.93 . . . . 1.61 111.152 -178.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 . . . . . 0 N--CA 1.454 -0.23 0 CA-C-O 120.807 0.337 . . . . 2.68 110.51 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.418 ' HB3' ' O ' ' A' ' 16' ' ' SER . 3.1 tm? -64.47 -56.57 13.34 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.029 -0.532 . . . . 1.53 110.635 -179.171 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.582 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.415 0 CA-C-O 120.914 0.387 . . . . 2.45 111.353 -177.495 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.493 ' O ' HG23 ' A' ' 25' ' ' THR . 52.1 t60 . . . . . 0 N--CA 1.45 -0.466 0 CA-C-O 119.781 -0.152 . . . . 0.27 111.307 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.582 ' HB2' ' O ' ' A' ' 20' ' ' GLN . 70.1 mmtt . . . . . 0 N--CA 1.471 0.578 0 CA-C-O 121.128 0.49 . . . . 1.62 110.39 -178.011 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.493 HG23 ' O ' ' A' ' 22' ' ' HIS . 10.3 t . . . . . 0 C--O 1.233 0.2 0 CA-C-O 120.646 0.26 . . . . 1.98 111.547 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 . . . . . 0 C--N 1.328 -0.355 0 N-CA-C 109.434 -0.58 . . . . 0.38 109.434 -179.974 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo . . . . . 0 N--CA 1.478 0.577 0 N-CA-C 110.343 -0.676 . . . . 2.09 110.343 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 . . . . . 0 C--N 1.323 -0.583 0 N-CA-C 109.816 -0.439 . . . . 0.51 109.816 -177.998 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.419 ' SG ' ' HB2' ' A' ' 6' ' ' TRP . 2.3 t . . . . . 0 CA--C 1.534 0.327 0 CA-C-O 120.683 0.277 . . . . 1.71 111.538 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.402 ' HG1' ' C ' ' A' ' 4' ' ' CYS . 76.4 p 58.67 19.25 6.6 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.29 1.036 . . . . 2.12 113.097 176.054 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.419 ' HB2' ' SG ' ' A' ' 4' ' ' CYS . 8.5 t-105 . . . . . 0 C--N 1.327 -0.402 0 N-CA-C 109.602 -0.518 . . . . 1.06 109.602 177.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.464 0 CA-C-O 120.49 -0.061 . . . . 1.03 113.201 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 14.1 t -85.75 -60.43 2.02 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.732 0.266 . . . . 1.94 110.668 -177.372 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 61.25 65.13 3.47 Favored Glycine 0 C--N 1.33 0.226 0 C-N-CA 121.058 -0.591 . . . . 1.03 113.113 175.688 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 40.5 mmtm . . . . . 0 C--N 1.324 -0.501 0 O-C-N 122.834 -0.215 . . . . 1.93 110.583 -179.896 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 . . . . . 0 N--CA 1.454 -0.25 0 N-CA-C 109.706 -0.479 . . . . 0.41 109.706 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.0 t -99.33 -7.04 26.85 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 120.924 0.392 . . . . 1.99 110.539 179.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -123.08 126.48 47.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.056 -0.52 . . . . 3.13 110.609 177.024 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 58.4 p . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 115.619 -0.719 . . . . 1.61 110.517 -178.618 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 29.7 mm-40 . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 111.653 0.242 . . . . 2.68 111.653 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -64.07 -49.25 73.05 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.809 -0.441 . . . . 1.53 109.809 178.521 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 . . . . . 0 C--N 1.327 -0.394 0 CA-C-N 116.225 -0.443 . . . . 2.45 110.876 179.772 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 64.3 t60 . . . . . 0 N--CA 1.447 -0.617 0 N-CA-C 111.448 0.166 . . . . 0.27 111.448 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 32.6 mmtp . . . . . 0 C--O 1.235 0.323 0 CA-C-O 120.941 0.4 . . . . 1.62 110.83 -177.311 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 81.3 p . . . . . 0 N--CA 1.454 -0.24 0 N-CA-C 111.758 0.281 . . . . 1.98 111.758 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 . . . . . 0 CA--C 1.518 -0.283 0 CA-C-O 121.347 0.594 . . . . 0.38 109.9 -178.394 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo . . . . . 0 N--CA 1.481 0.75 0 N-CA-C 110.966 -0.436 . . . . 2.09 110.966 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 . . . . . 0 C--N 1.325 -0.487 0 N-CA-C 109.962 -0.384 . . . . 0.51 109.962 -178.671 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 50.2 t . . . . . 0 N--CA 1.445 -0.721 0 N-CA-C 109.854 -0.425 . . . . 1.71 109.854 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.7 m -92.95 42.97 1.11 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.522 0.677 . . . . 2.12 110.369 -179.046 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 30.6 t-105 . . . . . 0 C--N 1.327 -0.377 0 CA-C-N 115.411 -0.813 . . . . 1.06 109.81 178.406 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.386 0 N-CA-C 112.59 -0.204 . . . . 1.03 112.59 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 11.8 t -116.44 -176.49 2.97 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.87 0.366 . . . . 1.94 110.073 -178.627 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 161.32 55.02 0.02 OUTLIER Glycine 0 N--CA 1.445 -0.7 0 N-CA-C 111.488 -0.645 . . . . 1.03 111.488 -177.517 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp . . . . . 0 C--N 1.324 -0.501 0 N-CA-C 110.277 -0.268 . . . . 1.93 110.277 -178.098 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 80.0 m-85 . . . . . 0 N--CA 1.451 -0.396 0 N-CA-C 109.915 -0.402 . . . . 0.41 109.915 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.0 t -103.38 7.85 38.1 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.92 0.39 . . . . 1.99 110.917 178.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 62.3 mtt180 -138.34 121.84 17.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.24 -0.436 . . . . 3.13 110.203 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.425 ' O ' ' HB3' ' A' ' 19' ' ' LEU . 6.6 p . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 115.642 -0.708 . . . . 1.61 110.856 -178.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 . . . . . 0 CA--C 1.519 -0.249 0 CA-C-O 120.522 0.201 . . . . 2.68 110.87 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.425 ' HB3' ' O ' ' A' ' 16' ' ' SER . 3.1 tm? -61.02 -51.59 68.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.289 -0.414 . . . . 1.53 110.406 -178.429 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 56.6 tp60 . . . . . 0 C--N 1.326 -0.432 0 CA-C-O 120.839 0.352 . . . . 2.45 111.246 -178.64 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 25.2 t60 . . . . . 0 N--CA 1.447 -0.593 0 N-CA-C 111.399 0.148 . . . . 0.27 111.399 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.7 tppt? . . . . . 0 C--O 1.237 0.426 0 CA-C-O 121.03 0.443 . . . . 1.62 110.262 -176.451 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 69.5 m . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 111.955 0.354 . . . . 1.98 111.955 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 . . . . . 0 C--N 1.326 -0.441 0 CA-C-O 121.109 0.48 . . . . 0.38 110.145 -176.261 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo . . . . . 0 N--CA 1.477 0.551 0 N-CA-C 110.373 -0.664 . . . . 2.09 110.373 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 57.2 m-85 . . . . . 0 C--N 1.324 -0.515 0 N-CA-C 109.432 -0.581 . . . . 0.51 109.432 -179.263 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 43.2 t . . . . . 0 N--CA 1.45 -0.453 0 N-CA-C 109.905 -0.406 . . . . 1.71 109.905 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 39.8 p -94.21 38.84 1.08 Allowed 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.092 -0.503 . . . . 2.12 110.66 -178.251 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 42.4 t-105 . . . . . 0 C--N 1.327 -0.409 0 CA-C-N 115.533 -0.758 . . . . 1.06 109.795 178.07 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.393 0 N-CA-C 112.674 -0.17 . . . . 1.03 112.674 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 13.9 t -126.5 -177.93 4.17 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 110.027 -0.36 . . . . 1.94 110.027 -178.666 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 169.36 49.23 0.03 OUTLIER Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.95 -0.643 . . . . 1.03 112.509 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 47.4 mmtm . . . . . 0 C--N 1.325 -0.478 0 O-C-N 122.823 -0.222 . . . . 1.93 110.697 -178.526 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 73.1 m-85 . . . . . 0 C--O 1.234 0.255 0 N-CA-C 110.306 -0.257 . . . . 0.41 110.306 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 21.4 p -113.8 -21.1 10.85 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 111.964 0.357 . . . . 1.99 111.964 -178.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 87.3 mtt180 -120.05 138.25 53.63 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.148 0.499 . . . . 3.13 110.79 178.092 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 45.8 m . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 115.074 -0.966 . . . . 1.61 111.209 -178.804 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 . . . . . 0 N--CA 1.455 -0.178 0 CA-C-O 120.747 0.308 . . . . 2.68 110.85 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -62.47 -49.23 76.25 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.75 -0.659 . . . . 1.53 111.068 -174.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 . . . . . 0 C--N 1.324 -0.52 0 CA-C-N 116.423 -0.353 . . . . 2.45 111.619 -175.973 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.429 ' O ' HG23 ' A' ' 25' ' ' THR . 31.7 t60 . . . . . 0 N--CA 1.448 -0.562 0 CA-C-O 119.864 -0.112 . . . . 0.27 111.287 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.6 tppt? . . . . . 0 CA--C 1.516 -0.348 0 N-CA-C 109.468 -0.567 . . . . 1.62 109.468 -176.718 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.429 HG23 ' O ' ' A' ' 22' ' ' HIS . 14.5 t . . . . . 0 CA--C 1.53 0.209 0 N-CA-C 111.684 0.253 . . . . 1.98 111.684 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 83.2 m-70 . . . . . 0 C--N 1.327 -0.409 0 CA-C-O 121.265 0.555 . . . . 0.38 109.666 177.185 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo . . . . . 0 N--CA 1.478 0.564 0 N-CA-C 109.948 -0.828 . . . . 2.09 109.948 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 . . . . . 0 C--N 1.321 -0.633 0 N-CA-C 109.02 -0.733 . . . . 0.51 109.02 179.935 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 53.7 t . . . . . 0 N--CA 1.445 -0.724 0 N-CA-C 109.773 -0.454 . . . . 1.71 109.773 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.5 m -93.39 46.76 1.21 Allowed 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.505 0.669 . . . . 2.12 110.131 -176.641 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 32.2 t-105 . . . . . 0 C--N 1.326 -0.42 0 CA-C-N 115.464 -0.789 . . . . 1.06 109.443 179.576 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.431 0 N-CA-C 112.612 -0.195 . . . . 1.03 112.612 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 10.7 t -140.27 154.12 46.74 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.593 0.235 . . . . 1.94 110.548 -179.041 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -158.25 34.99 0.52 Allowed Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.912 -0.661 . . . . 1.03 111.709 178.282 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 46.9 mmtm . . . . . 0 C--N 1.325 -0.493 0 C-N-CA 121.975 0.11 . . . . 1.93 110.875 -176.985 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 . . . . . 0 N--CA 1.456 -0.171 0 N-CA-C 110.382 -0.229 . . . . 0.41 110.382 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.0 t -99.51 -0.91 39.67 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.009 0.433 . . . . 1.99 110.952 -179.232 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 78.5 mtt180 -130.56 127.08 38.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.847 0.356 . . . . 3.13 110.539 177.384 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 15.7 p . . . . . 0 C--N 1.332 -0.194 0 CA-C-N 115.524 -0.762 . . . . 1.61 110.687 -179.276 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 . . . . . 0 N--CA 1.454 -0.234 0 CA-C-O 120.514 0.197 . . . . 2.68 111.258 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.436 ' C ' HD13 ' A' ' 19' ' ' LEU . 3.0 tm? -64.48 -53.42 48.39 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.932 -0.396 . . . . 1.53 109.932 178.087 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 22.2 tp60 . . . . . 0 C--N 1.326 -0.444 0 CA-C-N 116.391 -0.368 . . . . 2.45 111.243 -178.495 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.47 ' O ' HG21 ' A' ' 25' ' ' THR . 32.5 t60 . . . . . 0 N--CA 1.448 -0.536 0 N-CA-C 111.585 0.217 . . . . 0.27 111.585 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.9 tppt? . . . . . 0 N--CA 1.468 0.427 0 O-C-N 123.669 0.605 . . . . 1.62 110.301 -174.063 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.47 HG21 ' O ' ' A' ' 22' ' ' HIS . 15.2 t . . . . . 0 CA--C 1.531 0.24 0 N-CA-C 111.945 0.35 . . . . 1.98 111.945 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 66.5 m-70 . . . . . 0 C--N 1.328 -0.334 0 CA-C-O 121.237 0.541 . . . . 0.38 109.846 179.936 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo . . . . . 0 N--CA 1.479 0.624 0 N-CA-C 111.235 -0.333 . . . . 2.09 111.235 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 . . . . . 0 C--N 1.328 -0.349 0 N-CA-C 110.031 -0.359 . . . . 0.51 110.031 -177.634 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 39.4 t . . . . . 0 N--CA 1.446 -0.627 0 N-CA-C 109.656 -0.498 . . . . 1.71 109.656 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.0 m -102.15 37.91 1.77 Allowed 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.413 0.625 . . . . 2.12 109.998 -178.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 43.4 t-105 . . . . . 0 N--CA 1.454 -0.248 0 CA-C-N 115.645 -0.707 . . . . 1.06 109.413 176.657 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.42 0 N-CA-C 112.653 -0.179 . . . . 1.03 112.653 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 10.0 t -116.54 -169.7 1.68 Allowed 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.637 -0.505 . . . . 1.94 109.637 -178.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 159.25 61.56 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 121.152 -0.546 . . . . 1.03 111.962 -178.395 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt . . . . . 0 C--N 1.327 -0.395 0 N-CA-C 110.312 -0.255 . . . . 1.93 110.312 -176.1 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 84.0 m-85 . . . . . 0 C--O 1.238 0.458 0 CA-C-O 121.264 0.554 . . . . 0.41 111.2 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 30.6 m -95.5 -29.18 14.52 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.163 -0.926 . . . . 1.99 110.983 -176.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 30.1 mmt180 -118.72 138.48 52.61 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.016 0.436 . . . . 3.13 110.711 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.413 ' O ' ' HB3' ' A' ' 19' ' ' LEU . 17.3 t . . . . . 0 C--N 1.332 -0.193 0 CA-C-N 115.583 -0.735 . . . . 1.61 110.408 -178.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 . . . . . 0 CA--C 1.519 -0.228 0 CA-C-O 120.786 0.327 . . . . 2.68 110.493 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.413 ' HB3' ' O ' ' A' ' 16' ' ' SER . 3.4 tm? -60.53 -55.24 35.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.979 -0.555 . . . . 1.53 110.32 -179.311 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.299 -0.41 . . . . 2.45 110.787 -178.41 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.479 ' O ' HG21 ' A' ' 25' ' ' THR . 25.2 t60 . . . . . 0 N--CA 1.445 -0.69 0 N-CA-C 110.648 -0.13 . . . . 0.27 110.648 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.4 tppp? . . . . . 0 CA--C 1.517 -0.3 0 CA-C-O 121.136 0.493 . . . . 1.62 109.744 -177.21 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.479 HG21 ' O ' ' A' ' 22' ' ' HIS . 15.4 t . . . . . 0 CA--C 1.535 0.374 0 N-CA-C 111.844 0.313 . . . . 1.98 111.844 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 85.8 m-70 . . . . . 0 CA--C 1.517 -0.299 0 CA-C-O 121.393 0.616 . . . . 0.38 109.803 -179.206 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_exo . . . . . 0 N--CA 1.473 0.319 0 N-CA-C 110.313 -0.687 . . . . 2.09 110.313 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 . . . . . 0 C--N 1.324 -0.508 0 N-CA-C 109.567 -0.531 . . . . 0.51 109.567 179.515 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 23.3 t . . . . . 0 CA--C 1.53 0.2 0 CA-C-O 120.667 0.27 . . . . 1.71 111.719 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 48.7 p 55.73 14.2 1.23 Allowed 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.205 1.002 . . . . 2.12 113.455 177.476 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 23.1 t-105 . . . . . 0 C--N 1.327 -0.371 0 N-CA-C 109.559 -0.534 . . . . 1.06 109.559 178.527 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.679 0 CA-C-O 120.5 -0.055 . . . . 1.03 112.968 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.407 ' SG ' ' HG2' ' A' ' 11' ' ' LYS . 35.4 t -92.68 -74.76 0.51 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.552 0.176 . . . . 1.94 110.806 -177.492 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 67.12 60.69 5.78 Favored Glycine 0 CA--C 1.519 0.303 0 C-N-CA 120.951 -0.642 . . . . 1.03 113.069 178.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.407 ' HG2' ' SG ' ' A' ' 9' ' ' CYS . 72.1 mmtt . . . . . 0 C--N 1.329 -0.317 0 O-C-N 122.804 -0.233 . . . . 1.93 110.444 177.383 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 83.4 m-85 . . . . . 0 CA--C 1.52 -0.21 0 N-CA-C 110.407 -0.22 . . . . 0.41 110.407 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 15.1 t -94.08 -2.3 53.06 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.156 0.503 . . . . 1.99 110.912 -179.025 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 60.8 mtt85 -136.59 131.53 33.9 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.114 -0.494 . . . . 3.13 110.188 177.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.484 ' O ' ' HB3' ' A' ' 19' ' ' LEU . 21.0 t . . . . . 0 C--N 1.326 -0.454 0 CA-C-N 115.664 -0.698 . . . . 1.61 110.131 -178.43 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 . . . . . 0 C--O 1.226 -0.143 0 N-CA-C 111.651 0.241 . . . . 2.68 111.651 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.484 ' HB3' ' O ' ' A' ' 16' ' ' SER . 61.2 tp -63.25 -51.43 66.21 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.55 -0.295 . . . . 1.53 111.171 -178.678 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 . . . . . 0 C--N 1.326 -0.456 0 CA-C-O 120.849 0.356 . . . . 2.45 111.107 -179.551 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 58.4 t60 . . . . . 0 N--CA 1.45 -0.456 0 N-CA-C 111.891 0.33 . . . . 0.27 111.891 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 16.3 tppt? . . . . . 0 C--O 1.239 0.506 0 CA-C-O 121.213 0.53 . . . . 1.62 109.948 -175.506 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 63.0 p . . . . . 0 N--CA 1.453 -0.302 0 CA-C-O 120.682 0.277 . . . . 1.98 111.381 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 87.3 m-70 . . . . . 0 C--N 1.328 -0.334 0 CA-C-O 121.495 0.664 . . . . 0.38 109.33 -178.597 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_exo . . . . . 0 N--CA 1.479 0.644 0 N-CA-C 110.502 -0.615 . . . . 2.09 110.502 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 58.3 m-85 -109.9 118.21 35.85 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.308 -0.627 . . . . 0.51 109.308 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' 9KK . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 44.7 t -74.73 104.16 5.28 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 115.352 -0.84 . . . . 1.71 110.017 177.037 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 13.5 p -93.87 47.64 1.23 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.186 -0.461 . . . . 2.12 111.133 -178.055 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 51.9 t-105 -87.81 148.05 24.86 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.119 -0.491 . . . . 1.06 109.891 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.529 0 O-C-N 123.664 0.602 . . . . 1.83 109.852 178.771 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 92.25 2.87 67.93 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.583 -0.818 . . . . 1.03 112.144 179.102 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 6.5 t -124.07 -179.08 4.28 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.635 -0.505 . . . . 1.94 109.635 -178.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 163.84 57.68 0.02 OUTLIER Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 121.028 -0.606 . . . . 1.03 111.936 -178.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -103.49 145.94 29.26 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 110.108 -0.33 . . . . 1.93 110.108 -177.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' MMO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -124.48 150.58 45.58 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.523 -0.762 . . . . 0.41 110.514 -175.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.8 t -93.23 -1.58 56.04 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.212 0.53 . . . . 1.99 110.648 -178.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -129.7 125.48 36.06 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.974 -0.557 . . . . 3.13 110.131 177.378 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 22.9 t -65.89 -33.3 75.51 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.701 -0.682 . . . . 1.61 109.79 -179.561 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' B3D . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 70.0 mm-40 -73.76 -34.04 64.54 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 115.201 -0.909 . . . . 2.68 111.593 -177.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -65.9 -52.35 50.77 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 110.009 -0.367 . . . . 1.53 110.009 178.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 23.9 tp60 -66.1 -52.28 50.11 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.511 -0.313 . . . . 2.45 111.143 -178.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' HMR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.552 ' O ' HG21 ' A' ' 25' ' ' THR . 25.7 t60 -78.57 -54.54 6.03 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 112.732 -2.031 . . . . 0.27 110.68 140.512 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 19.9 tptm -50.21 -44.3 53.1 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 121.246 0.546 . . . . 1.62 109.56 -175.178 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' HMR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.552 HG21 ' O ' ' A' ' 22' ' ' HIS . 10.1 t -81.41 -28.68 34.18 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 112.701 -2.045 . . . . 1.98 111.616 148.266 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 67.3 m-70 -93.39 -53.38 4.1 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.695 -0.483 . . . . 0.38 109.695 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' B3T . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 127.52 -60.39 0.66 Allowed Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.719 -0.753 . . . . 2.18 112.168 179.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -103.18 -32.12 9.78 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.079 0.466 . . . . 4.89 110.272 178.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 89.2 tttt -116.74 91.3 3.55 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.421 0.629 . . . . 4.86 110.369 -179.263 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.737 0 CA-C-N 116.019 -0.537 . . . . 4.13 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.475 0.427 0 N-CA-C 110.411 -0.65 . . . . 2.09 110.411 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -127.14 136.81 52.62 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.386 -0.598 . . . . 0.51 109.386 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' 9KK . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 50.6 t -81.24 92.25 6.31 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.795 -0.639 . . . . 1.71 109.885 174.543 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 13.4 p -88.31 50.08 1.91 Allowed 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.266 0.555 . . . . 2.12 111.031 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 32.7 t-105 -84.02 154.23 23.39 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.823 -0.626 . . . . 1.06 109.349 179.027 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 0.586 0 O-C-N 123.601 0.563 . . . . 1.83 109.934 177.425 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 87.79 17.37 58.28 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.877 -0.678 . . . . 1.03 112.626 177.065 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 7.9 t -131.6 160.03 36.52 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.827 -0.434 . . . . 1.94 109.827 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -172.46 57.97 0.16 Allowed Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.74 -0.743 . . . . 1.03 112.449 -179.627 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 30.0 mtpp -107.36 141.15 39.18 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 110.136 -0.32 . . . . 1.93 110.136 179.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' MMO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 -127.96 146.51 50.63 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.025 -0.989 . . . . 0.41 109.551 -175.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.0 t -88.74 -6.57 57.33 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.822 0.344 . . . . 1.99 111.145 -176.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 62.6 mtm180 -124.13 128.14 48.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.933 0.397 . . . . 3.13 110.268 177.473 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 18.6 t -62.76 -39.29 93.69 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.304 -0.862 . . . . 1.61 110.575 -176.568 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' B3D . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -73.81 -35.91 64.93 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.322 -0.853 . . . . 2.68 111.376 -177.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -66.44 -56.21 12.04 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.603 -0.271 . . . . 1.53 110.6 -179.528 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -75.97 -39.7 55.41 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.729 0.3 . . . . 2.45 111.401 -176.084 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' HMR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.564 ' O ' HG21 ' A' ' 25' ' ' THR . 42.2 t60 -74.88 -53.98 8.08 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 112.995 -1.911 . . . . 0.27 111.364 142.339 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.4 tppt? -50.25 -42.24 51.63 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 121.435 0.636 . . . . 1.62 110.066 -176.138 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' HMR . . . . . 0.45 ' HG3' ' HC1' ' A' ' 24' ' ' HMR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.564 HG21 ' O ' ' A' ' 22' ' ' HIS . 14.8 t -85.18 -30.97 23.48 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 110.012 -3.267 . . . . 1.98 112.015 149.37 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 88.1 m-70 -90.39 -42.26 11.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.434 0.635 . . . . 0.38 109.425 178.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' B3T . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 80.11 -65.53 3.77 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 121.172 -0.537 . . . . 2.18 112.368 -178.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -72.54 -13.52 61.42 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.916 0.388 . . . . 4.89 111.177 -177.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -144.01 92.75 2.36 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.248 0.547 . . . . 4.86 109.971 179.078 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.687 0 CA-C-N 116.186 -0.461 . . . . 4.13 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 8.8 Cg_endo . . . . . 0 N--CA 1.477 0.543 0 N-CA-C 110.272 -0.703 . . . . 2.09 110.272 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -123.39 137.78 54.74 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.398 -0.593 . . . . 0.51 109.398 179.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' 9KK . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.6 t -56.19 -46.34 79.46 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.226 -0.897 . . . . 1.71 111.037 175.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.3 m 70.12 11.57 7.61 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 115.314 -0.857 . . . . 2.12 111.664 174.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 31.2 t-105 -79.75 135.65 36.56 Favored 'General case' 0 N--CA 1.45 -0.425 0 N-CA-C 109.053 -0.721 . . . . 1.06 109.053 174.396 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.588 0 O-C-N 123.834 0.709 . . . . 1.83 110.695 -173.667 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 82.86 6.92 87.96 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 121.074 -0.584 . . . . 1.03 113.49 174.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 19.2 t -87.66 -60.12 2.06 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 117.099 0.449 . . . . 1.94 110.474 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 66.87 65.24 2.87 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.816 -0.707 . . . . 1.03 112.588 177.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 42.9 mmtm -132.25 131.21 41.87 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 110.499 -0.186 . . . . 1.93 110.499 179.153 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' MMO . . . . . 0.436 ' O ' ' HC2' ' A' ' 12' ' ' MMO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 73.7 m-85 -125.17 151.14 46.19 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.657 -0.701 . . . . 0.41 110.136 -175.22 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 15.1 t -93.2 2.18 56.77 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.873 0.368 . . . . 1.99 111.113 -176.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 78.0 mtp180 -132.93 120.93 22.1 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.394 -0.366 . . . . 3.13 110.081 177.374 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 12.5 p -61.89 -35.91 79.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.448 -0.796 . . . . 1.61 110.976 -175.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' B3D . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -79.85 -25.75 40.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.138 -0.937 . . . . 2.68 111.198 -176.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -69.09 -52.72 25.51 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 110.023 -0.362 . . . . 1.53 110.023 177.319 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -69.33 -50.81 43.06 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.27 -0.423 . . . . 2.45 110.797 179.575 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' HMR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.456 ' O ' HG23 ' A' ' 25' ' ' THR . 43.3 t60 -74.9 -56.42 4.77 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.388 -0.824 . . . . 0.27 111.758 146.243 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.0 tppp? -50.42 -47.08 56.77 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 121.136 0.493 . . . . 1.62 109.895 -176.121 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' HMR . . . . . 0.476 ' HD3' ' N ' ' A' ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.456 HG23 ' O ' ' A' ' 22' ' ' HIS . 6.5 t -86.38 -25.52 25.29 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 111.141 -2.754 . . . . 1.98 111.489 148.409 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 93.2 m-70 -93.18 -55.87 3.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.259 0.552 . . . . 0.38 109.963 177.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' B3T . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 66.3 -98.62 0.39 Allowed Glycine 0 CA--C 1.518 0.27 0 C-N-CA 120.913 -0.661 . . . . 2.18 112.655 178.518 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 36.1 mm-40 -81.51 -29.78 33.49 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.027 0.442 . . . . 4.89 110.518 178.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -99.43 87.33 3.58 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.392 0.615 . . . . 4.86 110.722 -176.529 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' NH2 . . . . . 0.476 ' N ' ' HD3' ' A' ' 24' ' ' HMR . . . . . . . . 0 C--N 1.319 -0.755 0 CA-C-N 115.9 -0.591 . . . . 4.13 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_exo . . . . . 0 N--CA 1.48 0.699 0 N-CA-C 110.471 -0.627 . . . . 2.09 110.471 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.432 ' CE2' ' HB3' ' A' ' 16' ' ' SER . 98.3 m-85 -85.54 139.69 31.26 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.677 -0.49 . . . . 0.51 109.677 -179.181 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' 9KK . . . . . 0.461 ' HG3' HCG2 ' A' ' 12' ' ' MMO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.406 ' SG ' ' HB2' ' A' ' 6' ' ' TRP . 37.5 t -72.12 -57.85 3.92 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.522 -0.763 . . . . 1.71 109.207 172.714 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.1 m 56.18 39.95 30.18 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.586 0.708 . . . . 2.12 110.866 178.258 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.544 ' HB3' ' HB3' ' A' ' 9' ' ' CYS . 28.0 t-105 -90.6 161.63 15.34 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 107.882 -1.155 . . . . 1.06 107.882 173.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 0.674 0 N-CA-C 109.852 -0.425 . . . . 1.83 109.852 179.011 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 81.78 14.21 78.17 Favored Glycine 0 C--N 1.331 0.304 0 C-N-CA 121.114 -0.565 . . . . 1.03 113.273 177.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.544 ' HB3' ' HB3' ' A' ' 6' ' ' TRP . 49.8 t -143.49 89.91 2.12 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.828 0.347 . . . . 1.94 111.313 -176.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -99.24 43.83 1.78 Allowed Glycine 0 CA--C 1.517 0.177 0 C-N-CA 121.11 -0.567 . . . . 1.03 112.077 179.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 70.5 mmtt -64.26 146.96 53.48 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 122.703 0.401 . . . . 1.93 111.559 -178.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' MMO . . . . . 0.461 HCG2 ' HG3' ' A' ' 3' ' ' 9KK . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -135.87 164.14 28.63 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.685 -0.689 . . . . 0.41 110.819 -175.293 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 24.2 m -88.07 -32.41 18.76 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.593 -0.731 . . . . 1.99 111.763 -174.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -120.61 144.13 48.3 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.049 0.452 . . . . 3.13 111.162 179.565 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.432 ' HB3' ' CE2' ' A' ' 2' ' ' PHE . 18.1 p -65.59 -33.3 75.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.154 -0.93 . . . . 1.61 111.152 -178.634 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' B3D . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -64.86 -41.79 95.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.154 -0.93 . . . . 2.68 110.51 178.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.418 ' HB3' ' O ' ' A' ' 16' ' ' SER . 3.1 tm? -64.47 -56.57 13.34 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.029 -0.532 . . . . 1.53 110.635 -179.171 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.582 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 0.1 OUTLIER -63.89 -51.53 64.12 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.914 0.387 . . . . 2.45 111.353 -177.495 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' HMR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.493 ' O ' HG23 ' A' ' 25' ' ' THR . 52.1 t60 -78.26 -54.56 6.08 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 110.035 -3.257 . . . . 0.27 111.307 141.326 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.582 ' HB2' ' O ' ' A' ' 20' ' ' GLN . 70.1 mmtt -46.27 -48.29 18.04 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-O 121.128 0.49 . . . . 1.62 110.39 -178.011 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' HMR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.493 HG23 ' O ' ' A' ' 22' ' ' HIS . 10.3 t -81.05 -34.04 33.07 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 114.172 -1.376 . . . . 1.98 111.547 147.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -81.44 -49.17 10.96 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.434 -0.58 . . . . 0.38 109.434 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' B3T . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 82.47 -84.86 1.5 Allowed Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.587 -0.816 . . . . 2.18 112.242 -179.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -79.02 -42.23 27.01 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.877 0.37 . . . . 4.89 110.6 -177.163 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -93.56 92.84 7.76 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.202 0.525 . . . . 4.86 110.278 178.3 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.694 0 CA-C-N 116.053 -0.521 . . . . 4.13 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo . . . . . 0 N--CA 1.478 0.577 0 N-CA-C 110.343 -0.676 . . . . 2.09 110.343 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -107.03 135.47 48.53 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.816 -0.439 . . . . 0.51 109.816 -177.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' 9KK . . . . . 0.463 ' HG3' ' H ' ' A' ' 5' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.419 ' SG ' ' HB2' ' A' ' 6' ' ' TRP . 2.3 t -60.79 -36.2 78.39 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.609 -0.723 . . . . 1.71 111.538 178.104 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.463 ' H ' ' HG3' ' A' ' 3' ' ' 9KK . 76.4 p 58.67 19.25 6.6 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.29 1.036 . . . . 2.12 113.097 176.054 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.419 ' HB2' ' SG ' ' A' ' 4' ' ' CYS . 8.5 t-105 -89.81 128.02 36.08 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.602 -0.518 . . . . 1.06 109.602 177.776 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 0.503 0 O-C-N 123.81 0.693 . . . . 1.83 110.261 -178.184 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 100.14 -13.86 60.08 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.883 -0.675 . . . . 1.03 113.201 175.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 14.1 t -85.75 -60.43 2.02 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.732 0.266 . . . . 1.94 110.668 -177.372 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 61.25 65.13 3.47 Favored Glycine 0 C--N 1.33 0.226 0 C-N-CA 121.058 -0.591 . . . . 1.03 113.113 175.688 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 40.5 mmtm -135.55 134.15 39.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 122.834 -0.215 . . . . 1.93 110.583 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' MMO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 -138.76 155.6 48.06 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.053 -0.976 . . . . 0.41 109.706 -175.23 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.0 t -99.33 -7.04 26.85 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 120.924 0.392 . . . . 1.99 110.539 179.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -123.08 126.48 47.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.056 -0.52 . . . . 3.13 110.609 177.024 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 58.4 p -67.86 -36.69 80.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.619 -0.719 . . . . 1.61 110.517 -178.618 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' B3D . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 29.7 mm-40 -73.63 -35.62 65.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.161 -0.927 . . . . 2.68 111.653 -176.09 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -64.07 -49.25 73.05 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.809 -0.441 . . . . 1.53 109.809 178.521 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -66.44 -57.73 6.76 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.225 -0.443 . . . . 2.45 110.876 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' HMR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 64.3 t60 -83.8 -55.75 4.08 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 108.939 -3.755 . . . . 0.27 111.448 145.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 32.6 mmtp -51.2 -49.46 60.95 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 120.941 0.4 . . . . 1.62 110.83 -177.311 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' HMR . . . . . 0.423 ' HG3' ' HC1' ' A' ' 24' ' ' HMR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 81.3 p -90.26 -45.9 8.77 Favored 'General case' 0 C--N 1.328 -0.328 1 CA-C-N 106.379 -4.918 . . . . 1.98 111.758 149.3 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -75.14 -36.57 61.57 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-O 121.347 0.594 . . . . 0.38 109.9 -178.394 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' B3T . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 76.93 28.25 59.1 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.798 -0.715 . . . . 2.18 111.727 -178.455 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 54.94 57.82 5.3 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 121.058 0.456 . . . . 4.89 110.951 -178.418 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 47.6 mtmt -115.71 66.05 0.7 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.478 0.656 . . . . 4.86 109.936 178.474 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.722 0 CA-C-N 115.685 -0.689 . . . . 4.13 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo . . . . . 0 N--CA 1.481 0.75 0 N-CA-C 110.966 -0.436 . . . . 2.09 110.966 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -98.76 134.38 41.74 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.962 -0.384 . . . . 0.51 109.962 -178.671 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' 9KK . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 50.2 t -86.36 93.19 9.04 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.566 -0.743 . . . . 1.71 109.854 175.487 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.7 m -92.95 42.97 1.11 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.522 0.677 . . . . 2.12 110.369 -179.046 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 30.6 t-105 -68.04 159.04 31.6 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.411 -0.813 . . . . 1.06 109.81 178.406 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 0.563 0 O-C-N 123.479 0.487 . . . . 1.83 109.875 177.452 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 82.87 6.54 88.31 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 121.023 -0.608 . . . . 1.03 112.59 177.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 11.8 t -116.44 -176.49 2.97 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.87 0.366 . . . . 1.94 110.073 -178.627 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 161.32 55.02 0.02 OUTLIER Glycine 0 N--CA 1.445 -0.7 0 N-CA-C 111.488 -0.645 . . . . 1.03 111.488 -177.517 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -107.99 141.96 38.86 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 110.277 -0.268 . . . . 1.93 110.277 -178.098 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' MMO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 80.0 m-85 -130.98 153.23 49.44 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.162 -0.926 . . . . 0.41 109.915 -175.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.0 t -103.38 7.85 38.1 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.92 0.39 . . . . 1.99 110.917 178.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 62.3 mtt180 -138.34 121.84 17.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.24 -0.436 . . . . 3.13 110.203 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.425 ' O ' ' HB3' ' A' ' 19' ' ' LEU . 6.6 p -61.21 -37.59 83.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.642 -0.708 . . . . 1.61 110.856 -178.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' B3D . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -65.55 -42.63 91.65 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-N 115.227 -0.897 . . . . 2.68 110.87 178.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.425 ' HB3' ' O ' ' A' ' 16' ' ' SER . 3.1 tm? -61.02 -51.59 68.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.289 -0.414 . . . . 1.53 110.406 -178.429 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 56.6 tp60 -67.71 -56.49 9.1 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.839 0.352 . . . . 2.45 111.246 -178.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' HMR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 25.2 t60 -83.74 -46.16 12.56 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 112.507 -2.133 . . . . 0.27 111.399 145.081 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.7 tppt? -55.31 -44.51 75.85 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-O 121.03 0.443 . . . . 1.62 110.262 -176.451 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' HMR . . . . . 0.44 ' HG3' ' HC1' ' A' ' 24' ' ' HMR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 69.5 m -69.29 -47.56 64.2 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 109.906 -3.315 . . . . 1.98 111.955 148.122 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 -85.73 -33.92 21.35 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.109 0.48 . . . . 0.38 110.145 -176.261 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' B3T . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 75.46 -67.91 2.17 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 121.016 -0.611 . . . . 2.18 111.928 -177.434 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -79.05 77.35 5.53 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.066 0.46 . . . . 4.89 110.201 178.363 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 53.8 tptt -148.37 -71.3 0.21 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.903 -0.589 . . . . 4.86 109.81 -178.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.623 0 CA-C-N 116.491 -0.322 . . . . 4.13 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo . . . . . 0 N--CA 1.477 0.551 0 N-CA-C 110.373 -0.664 . . . . 2.09 110.373 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 57.2 m-85 -117.31 131.06 56.88 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.432 -0.581 . . . . 0.51 109.432 -179.263 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' 9KK . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 43.2 t -70.47 98.19 1.41 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.758 -0.655 . . . . 1.71 109.905 178.326 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 39.8 p -94.21 38.84 1.08 Allowed 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.092 -0.503 . . . . 2.12 110.66 -178.251 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 42.4 t-105 -64.4 152.45 41.4 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.533 -0.758 . . . . 1.06 109.795 178.07 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 0.463 0 O-C-N 123.682 0.614 . . . . 1.83 109.745 178.239 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 95.64 11.28 55.67 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.947 -0.644 . . . . 1.03 112.674 178.234 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 13.9 t -126.5 -177.93 4.17 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 110.027 -0.36 . . . . 1.94 110.027 -178.666 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 169.36 49.23 0.03 OUTLIER Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.95 -0.643 . . . . 1.03 112.509 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 47.4 mmtm -95.58 145.68 25.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 122.823 -0.222 . . . . 1.93 110.697 -178.526 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' MMO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 73.1 m-85 -128.98 173.91 10.0 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.37 -0.832 . . . . 0.41 110.306 -175.39 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 21.4 p -113.8 -21.1 10.85 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 111.964 0.357 . . . . 1.99 111.964 -178.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 87.3 mtt180 -120.05 138.25 53.63 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.148 0.499 . . . . 3.13 110.79 178.092 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 45.8 m -63.64 -33.56 75.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.074 -0.966 . . . . 1.61 111.209 -178.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' B3D . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -61.46 -50.17 73.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.16 -0.927 . . . . 2.68 110.85 177.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -62.47 -49.23 76.25 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.75 -0.659 . . . . 1.53 111.068 -174.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -74.59 -51.51 14.36 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.423 -0.353 . . . . 2.45 111.619 -175.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' HMR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.429 ' O ' HG23 ' A' ' 25' ' ' THR . 31.7 t60 -88.39 -49.7 6.78 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 108.477 -3.965 . . . . 0.27 111.287 144.104 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.6 tppt? -50.0 -42.41 49.12 Favored 'General case' 0 CA--C 1.516 -0.348 0 N-CA-C 109.468 -0.567 . . . . 1.62 109.468 -176.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' HMR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.429 HG23 ' O ' ' A' ' 22' ' ' HIS . 14.5 t -90.66 -15.73 29.87 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 110.61 -2.996 . . . . 1.98 111.684 148.384 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 83.2 m-70 -104.58 -62.83 1.28 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.265 0.555 . . . . 0.38 109.666 177.185 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' B3T . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 69.99 173.6 12.1 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.971 -0.633 . . . . 2.18 112.145 -176.2 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 59.09 44.08 16.53 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 120.934 0.397 . . . . 4.89 111.133 176.427 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 56.5 pttt -147.97 65.07 1.1 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.643 0.735 . . . . 4.86 110.662 -179.374 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.732 0 CA-C-N 115.859 -0.61 . . . . 4.13 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo . . . . . 0 N--CA 1.478 0.564 0 N-CA-C 109.948 -0.828 . . . . 2.09 109.948 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -125.42 130.36 51.71 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.02 -0.733 . . . . 0.51 109.02 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' 9KK . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 53.7 t -67.85 95.77 0.54 Allowed 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.323 -0.853 . . . . 1.71 109.773 176.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.5 m -93.39 46.76 1.21 Allowed 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.505 0.669 . . . . 2.12 110.131 -176.641 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 32.2 t-105 -78.97 154.65 29.4 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.464 -0.789 . . . . 1.06 109.443 179.576 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 0.574 0 O-C-N 123.587 0.554 . . . . 1.83 109.553 177.132 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 90.37 19.71 44.45 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.838 -0.696 . . . . 1.03 112.612 178.16 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 10.7 t -140.27 154.12 46.74 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.593 0.235 . . . . 1.94 110.548 -179.041 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -158.25 34.99 0.52 Allowed Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.912 -0.661 . . . . 1.03 111.709 178.282 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 46.9 mmtm -73.68 136.67 43.8 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 121.975 0.11 . . . . 1.93 110.875 -176.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' MMO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -135.21 156.95 48.12 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.535 -0.757 . . . . 0.41 110.382 -174.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.0 t -99.51 -0.91 39.67 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.009 0.433 . . . . 1.99 110.952 -179.232 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 78.5 mtt180 -130.56 127.08 38.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.847 0.356 . . . . 3.13 110.539 177.384 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 15.7 p -61.98 -39.82 93.51 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.524 -0.762 . . . . 1.61 110.687 -179.276 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' B3D . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -76.72 -33.35 58.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.156 -0.929 . . . . 2.68 111.258 -177.546 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.436 ' C ' HD13 ' A' ' 19' ' ' LEU . 3.0 tm? -64.48 -53.42 48.39 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.932 -0.396 . . . . 1.53 109.932 178.087 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 22.2 tp60 -70.39 -48.26 57.03 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.391 -0.368 . . . . 2.45 111.243 -178.495 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' HMR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.47 ' O ' HG21 ' A' ' 25' ' ' THR . 32.5 t60 -81.28 -55.0 5.01 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 113.149 -1.841 . . . . 0.27 111.585 144.397 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.9 tppt? -48.79 -44.24 38.77 Favored 'General case' 0 N--CA 1.468 0.427 0 O-C-N 123.669 0.605 . . . . 1.62 110.301 -174.063 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' HMR . . . . . 0.406 ' HG3' ' HC1' ' A' ' 24' ' ' HMR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.47 HG21 ' O ' ' A' ' 22' ' ' HIS . 15.2 t -83.57 -29.12 28.08 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 109.706 -3.406 . . . . 1.98 111.945 150.106 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 66.5 m-70 -98.81 -47.36 5.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.237 0.541 . . . . 0.38 109.846 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' B3T . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 96.21 -81.39 0.77 Allowed Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.688 -0.768 . . . . 2.18 111.767 -177.278 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -73.03 -50.25 24.12 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.98 0.419 . . . . 4.89 110.507 -179.444 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm -91.95 93.97 9.05 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.299 0.571 . . . . 4.86 110.136 179.437 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.717 0 CA-C-N 116.106 -0.497 . . . . 4.13 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo . . . . . 0 N--CA 1.479 0.624 0 N-CA-C 111.235 -0.333 . . . . 2.09 111.235 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -91.51 143.82 26.2 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 110.031 -0.359 . . . . 0.51 110.031 -177.634 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' 9KK . . . . . 0.56 ' O ' ' HM1' ' A' ' 3' ' ' 9KK . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 39.4 t -67.4 104.39 1.52 Allowed 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.471 -0.786 . . . . 1.71 109.656 175.091 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.0 m -102.15 37.91 1.77 Allowed 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.413 0.625 . . . . 2.12 109.998 -178.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 43.4 t-105 -64.29 148.98 49.05 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 115.645 -0.707 . . . . 1.06 109.413 176.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.548 0 O-C-N 123.624 0.577 . . . . 1.83 109.751 179.684 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 94.62 -1.96 66.77 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.866 -0.683 . . . . 1.03 112.653 178.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 10.0 t -116.54 -169.7 1.68 Allowed 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.637 -0.505 . . . . 1.94 109.637 -178.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 159.25 61.56 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 121.152 -0.546 . . . . 1.03 111.962 -178.395 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -108.55 143.95 36.88 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 110.312 -0.255 . . . . 1.93 110.312 -176.1 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' MMO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 84.0 m-85 -141.27 159.45 42.19 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-N 115.73 -0.668 . . . . 0.41 111.2 -171.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 30.6 m -95.5 -29.18 14.52 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.163 -0.926 . . . . 1.99 110.983 -176.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 30.1 mmt180 -118.72 138.48 52.61 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.016 0.436 . . . . 3.13 110.711 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.413 ' O ' ' HB3' ' A' ' 19' ' ' LEU . 17.3 t -66.85 -29.07 68.89 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.583 -0.735 . . . . 1.61 110.408 -178.883 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' B3D . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -67.46 -45.73 75.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.238 -0.892 . . . . 2.68 110.493 179.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.413 ' HB3' ' O ' ' A' ' 16' ' ' SER . 3.4 tm? -60.53 -55.24 35.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.979 -0.555 . . . . 1.53 110.32 -179.311 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -61.45 -57.03 13.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.299 -0.41 . . . . 2.45 110.787 -178.41 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' HMR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.479 ' O ' HG21 ' A' ' 25' ' ' THR . 25.2 t60 -90.2 -51.9 5.21 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 109.224 -3.625 . . . . 0.27 110.648 140.363 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.4 tppp? -49.96 -46.16 52.07 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-O 121.136 0.493 . . . . 1.62 109.744 -177.21 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' HMR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.479 HG21 ' O ' ' A' ' 22' ' ' HIS . 15.4 t -85.51 -35.48 21.13 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 111.517 -2.583 . . . . 1.98 111.844 148.653 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 85.8 m-70 -86.73 -45.97 10.45 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-O 121.393 0.616 . . . . 0.38 109.803 -179.206 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' B3T . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -68.91 -28.7 72.82 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.68 -0.772 . . . . 2.18 111.862 178.297 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -107.43 81.47 1.53 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.987 0.422 . . . . 4.89 110.141 179.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 62.5 tttm -135.27 79.11 1.77 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.593 0.711 . . . . 4.86 110.179 179.551 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.317 -0.823 0 CA-C-N 115.95 -0.568 . . . . 4.13 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_exo . . . . . 0 N--CA 1.473 0.319 0 N-CA-C 110.313 -0.687 . . . . 2.09 110.313 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -120.92 139.91 52.57 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.567 -0.531 . . . . 0.51 109.567 179.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' 9KK . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 23.3 t -60.96 -33.13 72.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.759 -0.655 . . . . 1.71 111.719 -179.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 48.7 p 55.73 14.2 1.23 Allowed 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.205 1.002 . . . . 2.12 113.455 177.476 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 23.1 t-105 -79.62 137.26 37.05 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.559 -0.534 . . . . 1.06 109.559 178.527 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 0.374 0 O-C-N 123.7 0.625 . . . . 1.83 110.351 -176.476 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 92.65 -3.87 75.27 Favored Glycine 0 N--CA 1.446 -0.679 0 C-N-CA 120.931 -0.652 . . . . 1.03 112.968 175.489 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.407 ' SG ' ' HG2' ' A' ' 11' ' ' LYS . 35.4 t -92.68 -74.76 0.51 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.552 0.176 . . . . 1.94 110.806 -177.492 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 67.12 60.69 5.78 Favored Glycine 0 CA--C 1.519 0.303 0 C-N-CA 120.951 -0.642 . . . . 1.03 113.069 178.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.407 ' HG2' ' SG ' ' A' ' 9' ' ' CYS . 72.1 mmtt -116.61 143.29 45.8 Favored 'General case' 0 C--N 1.329 -0.317 0 O-C-N 122.804 -0.233 . . . . 1.93 110.444 177.383 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' MMO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 83.4 m-85 -133.3 152.36 51.92 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.423 -0.808 . . . . 0.41 110.407 -174.552 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 15.1 t -94.08 -2.3 53.06 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.156 0.503 . . . . 1.99 110.912 -179.025 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 60.8 mtt85 -136.59 131.53 33.9 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.114 -0.494 . . . . 3.13 110.188 177.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.484 ' O ' ' HB3' ' A' ' 19' ' ' LEU . 21.0 t -70.24 -33.15 71.29 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.664 -0.698 . . . . 1.61 110.131 -178.43 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' B3D . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 -62.54 -43.83 97.83 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.225 -0.898 . . . . 2.68 111.651 -179.309 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.484 ' HB3' ' O ' ' A' ' 16' ' ' SER . 61.2 tp -63.25 -51.43 66.21 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.55 -0.295 . . . . 1.53 111.171 -178.678 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -66.35 -61.51 1.97 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.849 0.356 . . . . 2.45 111.107 -179.551 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' HMR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 58.4 t60 -82.18 -53.16 6.3 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 113.066 -1.879 . . . . 0.27 111.891 146.285 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 16.3 tppt? -50.13 -44.86 52.62 Favored 'General case' 0 C--O 1.239 0.506 0 CA-C-O 121.213 0.53 . . . . 1.62 109.948 -175.506 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' HMR . . . . . 0.415 ' HG3' ' HC1' ' A' ' 24' ' ' HMR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 63.0 p -83.52 -48.97 9.71 Favored 'General case' 0 N--CA 1.453 -0.302 1 CA-C-N 105.878 -5.146 . . . . 1.98 111.381 148.801 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 87.3 m-70 -78.49 -37.12 44.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.495 0.664 . . . . 0.38 109.33 -178.597 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' B3T . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 65.7 44.74 91.88 Favored Glycine 0 C--N 1.331 0.266 0 C-N-CA 120.947 -0.644 . . . . 2.18 113.038 177.542 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 57.71 53.53 7.08 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 121.461 0.648 . . . . 4.89 110.314 179.459 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -120.55 90.11 3.26 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.756 -0.656 . . . . 4.86 109.85 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.756 0 CA-C-N 115.967 -0.56 . . . . 4.13 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_exo . . . . . 0 N--CA 1.479 0.644 0 N-CA-C 110.502 -0.615 . . . . 1.31 110.502 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 58.3 m-85 . . . . . 0 C--N 1.323 -0.576 0 N-CA-C 109.308 -0.627 . . . . 0.41 109.308 179.93 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 44.7 t . . . . . 0 N--CA 1.445 -0.699 0 N-CA-C 110.017 -0.364 . . . . 1.71 110.017 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 13.5 p -93.87 47.64 1.23 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.186 -0.461 . . . . 1.47 111.133 -178.055 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 51.9 t-105 . . . . . 0 C--N 1.326 -0.447 0 CA-C-N 116.119 -0.491 . . . . 0.94 109.891 179.734 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.503 0 N-CA-C 112.144 -0.382 . . . . 0.95 112.144 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 6.5 t -124.07 -179.08 4.28 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.635 -0.505 . . . . 1.94 109.635 -178.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 163.84 57.68 0.02 OUTLIER Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 121.028 -0.606 . . . . 0.9 111.936 -178.774 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp . . . . . 0 C--N 1.325 -0.491 0 N-CA-C 110.108 -0.33 . . . . 1.4 110.108 -177.637 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 . . . . . 0 N--CA 1.454 -0.253 0 CA-C-O 120.765 0.317 . . . . 0.36 110.514 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.8 t -93.23 -1.58 56.04 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.212 0.53 . . . . 1.31 110.648 -178.62 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -129.7 125.48 36.06 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.974 -0.557 . . . . 2.55 110.131 177.378 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 22.9 t . . . . . 0 C--N 1.327 -0.389 0 CA-C-N 115.701 -0.682 . . . . 1.27 109.79 -179.561 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 70.0 mm-40 . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 111.593 0.22 . . . . 2.68 111.593 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -65.9 -52.35 50.77 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 110.009 -0.367 . . . . 0.86 110.009 178.808 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 23.9 tp60 . . . . . 0 C--N 1.327 -0.398 0 CA-C-N 116.511 -0.313 . . . . 1.83 111.143 -178.689 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.564 ' O ' HG22 ' A' ' 25' ' ' THR . 25.7 t60 . . . . . 0 N--CA 1.447 -0.579 0 N-CA-C 110.68 -0.118 . . . . 0.21 110.68 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 19.9 tptm . . . . . 0 N--CA 1.467 0.376 0 CA-C-O 121.246 0.546 . . . . 1.01 109.56 -175.178 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.564 HG22 ' O ' ' A' ' 22' ' ' HIS . 10.1 t . . . . . 0 N--CA 1.456 -0.142 0 N-CA-C 111.616 0.228 . . . . 1.33 111.616 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 67.3 m-70 . . . . . 0 C--N 1.324 -0.524 0 N-CA-C 109.695 -0.483 . . . . 0.38 109.695 179.863 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.475 0.427 0 N-CA-C 110.411 -0.65 . . . . 1.31 110.411 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 . . . . . 0 C--N 1.323 -0.557 0 N-CA-C 109.386 -0.598 . . . . 0.41 109.386 -179.737 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 50.6 t . . . . . 0 N--CA 1.445 -0.701 0 N-CA-C 109.885 -0.413 . . . . 1.71 109.885 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 13.4 p -88.31 50.08 1.91 Allowed 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.266 0.555 . . . . 1.47 111.031 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 32.7 t-105 . . . . . 0 C--N 1.325 -0.484 0 CA-C-N 115.823 -0.626 . . . . 0.94 109.349 179.027 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.377 0 N-CA-C 112.626 -0.19 . . . . 0.95 112.626 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 7.9 t -131.6 160.03 36.52 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.827 -0.434 . . . . 1.94 109.827 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -172.46 57.97 0.16 Allowed Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.74 -0.743 . . . . 0.9 112.449 -179.627 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 30.0 mtpp . . . . . 0 C--N 1.324 -0.541 0 N-CA-C 110.136 -0.32 . . . . 1.4 110.136 179.695 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 109.551 -0.537 . . . . 0.36 109.551 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.0 t -88.74 -6.57 57.33 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.822 0.344 . . . . 1.31 111.145 -176.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 62.6 mtm180 -124.13 128.14 48.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.933 0.397 . . . . 2.55 110.268 177.473 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 18.6 t . . . . . 0 C--N 1.331 -0.218 0 CA-C-N 115.304 -0.862 . . . . 1.27 110.575 -176.568 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 . . . . . 0 N--CA 1.451 -0.406 0 CA-C-O 120.45 0.167 . . . . 2.68 111.376 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -66.44 -56.21 12.04 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.603 -0.271 . . . . 0.86 110.6 -179.528 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 . . . . . 0 C--N 1.323 -0.567 0 CA-C-O 120.729 0.3 . . . . 1.83 111.401 -176.084 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.572 ' O ' HG22 ' A' ' 25' ' ' THR . 42.2 t60 . . . . . 0 N--CA 1.45 -0.434 0 N-CA-C 111.364 0.135 . . . . 0.21 111.364 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.4 tppt? . . . . . 0 N--CA 1.468 0.431 0 CA-C-O 121.435 0.636 . . . . 1.01 110.066 -176.138 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.572 HG22 ' O ' ' A' ' 22' ' ' HIS . 14.8 t . . . . . 0 CA--C 1.532 0.252 0 N-CA-C 112.015 0.376 . . . . 1.33 112.015 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 88.1 m-70 . . . . . 0 C--N 1.33 -0.273 0 CA-C-O 121.434 0.635 . . . . 0.38 109.425 178.903 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 8.8 Cg_endo . . . . . 0 N--CA 1.477 0.543 0 N-CA-C 110.272 -0.703 . . . . 1.31 110.272 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 . . . . . 0 C--N 1.325 -0.496 0 N-CA-C 109.398 -0.593 . . . . 0.41 109.398 179.557 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.6 t . . . . . 0 N--CA 1.451 -0.388 0 CA-C-O 121.051 0.453 . . . . 1.71 111.037 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.3 m 70.12 11.57 7.61 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 115.314 -0.857 . . . . 1.47 111.664 174.744 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 31.2 t-105 . . . . . 0 N--CA 1.45 -0.425 0 N-CA-C 109.053 -0.721 . . . . 0.94 109.053 174.396 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 113.49 0.156 . . . . 0.95 113.49 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 19.2 t -87.66 -60.12 2.06 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 117.099 0.449 . . . . 1.94 110.474 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 66.87 65.24 2.87 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.816 -0.707 . . . . 0.9 112.588 177.516 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 42.9 mmtm . . . . . 0 C--N 1.325 -0.467 0 N-CA-C 110.499 -0.186 . . . . 1.4 110.499 179.153 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 73.7 m-85 . . . . . 0 N--CA 1.455 -0.18 0 N-CA-C 110.136 -0.32 . . . . 0.36 110.136 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 15.1 t -93.2 2.18 56.77 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.873 0.368 . . . . 1.31 111.113 -176.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 78.0 mtp180 -132.93 120.93 22.1 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.394 -0.366 . . . . 2.55 110.081 177.374 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 12.5 p . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 115.448 -0.796 . . . . 1.27 110.976 -175.463 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 . . . . . 0 N--CA 1.454 -0.232 0 CA-C-O 120.599 0.238 . . . . 2.68 111.198 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -69.09 -52.72 25.51 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 110.023 -0.362 . . . . 0.86 110.023 177.319 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 . . . . . 0 C--N 1.324 -0.5 0 CA-C-N 116.27 -0.423 . . . . 1.83 110.797 179.575 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.467 ' O ' HG22 ' A' ' 25' ' ' THR . 43.3 t60 . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 111.758 0.281 . . . . 0.21 111.758 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.0 tppp? . . . . . 0 N--CA 1.466 0.333 0 CA-C-O 121.136 0.493 . . . . 1.01 109.895 -176.121 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.467 HG22 ' O ' ' A' ' 22' ' ' HIS . 6.5 t . . . . . 0 CA--C 1.534 0.339 0 CA-C-O 120.647 0.26 . . . . 1.33 111.489 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 93.2 m-70 . . . . . 0 C--N 1.329 -0.299 0 CA-C-O 121.259 0.552 . . . . 0.38 109.963 177.937 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_exo . . . . . 0 N--CA 1.48 0.699 0 N-CA-C 110.471 -0.627 . . . . 1.31 110.471 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' PHE . . . . . 0.441 ' CE2' ' HB3' ' A' ' 16' ' ' SER . 98.3 m-85 . . . . . 0 C--N 1.324 -0.524 0 N-CA-C 109.677 -0.49 . . . . 0.41 109.677 -179.181 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.43 ' SG ' ' HB2' ' A' ' 6' ' ' TRP . 37.5 t . . . . . 0 N--CA 1.447 -0.617 0 N-CA-C 109.207 -0.664 . . . . 1.71 109.207 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.1 m 56.18 39.95 30.18 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.586 0.708 . . . . 1.47 110.866 178.258 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.586 ' HB3' ' HB3' ' A' ' 9' ' ' CYS . 28.0 t-105 . . . . . 0 C--N 1.324 -0.515 0 N-CA-C 107.882 -1.155 . . . . 0.94 107.882 173.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 0.259 0 N-CA-C 113.273 0.069 . . . . 0.95 113.273 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.586 ' HB3' ' HB3' ' A' ' 6' ' ' TRP . 49.8 t -143.49 89.91 2.12 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.828 0.347 . . . . 1.94 111.313 -176.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -99.24 43.83 1.78 Allowed Glycine 0 CA--C 1.517 0.177 0 C-N-CA 121.11 -0.567 . . . . 0.9 112.077 179.556 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 70.5 mmtt . . . . . 0 C--N 1.328 -0.363 0 C-N-CA 122.703 0.401 . . . . 1.4 111.559 -178.992 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 . . . . . 0 C--O 1.233 0.222 0 CA-C-O 121.081 0.467 . . . . 0.36 110.819 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 24.2 m -88.07 -32.41 18.76 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.593 -0.731 . . . . 1.31 111.763 -174.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -120.61 144.13 48.3 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.049 0.452 . . . . 2.55 111.162 179.565 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.441 ' HB3' ' CE2' ' A' ' 2' ' ' PHE . 18.1 p . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 115.154 -0.93 . . . . 1.27 111.152 -178.634 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 . . . . . 0 N--CA 1.454 -0.23 0 CA-C-O 120.807 0.337 . . . . 2.68 110.51 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.425 ' HB3' ' O ' ' A' ' 16' ' ' SER . 3.1 tm? -64.47 -56.57 13.34 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.029 -0.532 . . . . 0.86 110.635 -179.171 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.59 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 7.8 tp60 . . . . . 0 C--N 1.326 -0.415 0 CA-C-O 120.914 0.387 . . . . 1.83 111.353 -177.495 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.506 ' O ' HG22 ' A' ' 25' ' ' THR . 52.1 t60 . . . . . 0 N--CA 1.45 -0.466 0 CA-C-O 119.781 -0.152 . . . . 0.21 111.307 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.59 ' HB2' ' O ' ' A' ' 20' ' ' GLN . 70.1 mmtt . . . . . 0 N--CA 1.471 0.578 0 CA-C-O 121.128 0.49 . . . . 1.01 110.39 -178.011 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.506 HG22 ' O ' ' A' ' 22' ' ' HIS . 10.3 t . . . . . 0 C--O 1.233 0.2 0 CA-C-O 120.646 0.26 . . . . 1.33 111.547 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 . . . . . 0 C--N 1.328 -0.355 0 N-CA-C 109.434 -0.58 . . . . 0.38 109.434 -179.974 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo . . . . . 0 N--CA 1.478 0.577 0 N-CA-C 110.343 -0.676 . . . . 1.31 110.343 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 . . . . . 0 C--N 1.323 -0.583 0 N-CA-C 109.816 -0.439 . . . . 0.41 109.816 -177.998 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.447 ' SG ' ' HB2' ' A' ' 6' ' ' TRP . 2.3 t . . . . . 0 CA--C 1.534 0.327 0 CA-C-O 120.683 0.277 . . . . 1.71 111.538 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 76.4 p 58.67 19.25 6.6 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.29 1.036 . . . . 1.47 113.097 176.054 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.447 ' HB2' ' SG ' ' A' ' 4' ' ' CYS . 8.5 t-105 . . . . . 0 C--N 1.327 -0.402 0 N-CA-C 109.602 -0.518 . . . . 0.94 109.602 177.776 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.464 0 CA-C-O 120.49 -0.061 . . . . 0.95 113.201 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 14.1 t -85.75 -60.43 2.02 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.732 0.266 . . . . 1.94 110.668 -177.372 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 61.25 65.13 3.47 Favored Glycine 0 C--N 1.33 0.226 0 C-N-CA 121.058 -0.591 . . . . 0.9 113.113 175.688 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 40.5 mmtm . . . . . 0 C--N 1.324 -0.501 0 O-C-N 122.834 -0.215 . . . . 1.4 110.583 -179.896 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 . . . . . 0 N--CA 1.454 -0.25 0 N-CA-C 109.706 -0.479 . . . . 0.36 109.706 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.0 t -99.33 -7.04 26.85 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 120.924 0.392 . . . . 1.31 110.539 179.721 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -123.08 126.48 47.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.056 -0.52 . . . . 2.55 110.609 177.024 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 58.4 p . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 115.619 -0.719 . . . . 1.27 110.517 -178.618 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 29.7 mm-40 . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 111.653 0.242 . . . . 2.68 111.653 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -64.07 -49.25 73.05 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.809 -0.441 . . . . 0.86 109.809 178.521 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 . . . . . 0 C--N 1.327 -0.394 0 CA-C-N 116.225 -0.443 . . . . 1.83 110.876 179.772 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 64.3 t60 . . . . . 0 N--CA 1.447 -0.617 0 N-CA-C 111.448 0.166 . . . . 0.21 111.448 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 32.6 mmtp . . . . . 0 C--O 1.235 0.323 0 CA-C-O 120.941 0.4 . . . . 1.01 110.83 -177.311 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 81.3 p . . . . . 0 N--CA 1.454 -0.24 0 N-CA-C 111.758 0.281 . . . . 1.33 111.758 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 . . . . . 0 CA--C 1.518 -0.283 0 CA-C-O 121.347 0.594 . . . . 0.38 109.9 -178.394 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo . . . . . 0 N--CA 1.481 0.75 0 N-CA-C 110.966 -0.436 . . . . 1.31 110.966 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 . . . . . 0 C--N 1.325 -0.487 0 N-CA-C 109.962 -0.384 . . . . 0.41 109.962 -178.671 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 50.2 t . . . . . 0 N--CA 1.445 -0.721 0 N-CA-C 109.854 -0.425 . . . . 1.71 109.854 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.7 m -92.95 42.97 1.11 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.522 0.677 . . . . 1.47 110.369 -179.046 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 30.6 t-105 . . . . . 0 C--N 1.327 -0.377 0 CA-C-N 115.411 -0.813 . . . . 0.94 109.81 178.406 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.386 0 N-CA-C 112.59 -0.204 . . . . 0.95 112.59 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 11.8 t -116.44 -176.49 2.97 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.87 0.366 . . . . 1.94 110.073 -178.627 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 161.32 55.02 0.02 OUTLIER Glycine 0 N--CA 1.445 -0.7 0 N-CA-C 111.488 -0.645 . . . . 0.9 111.488 -177.517 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp . . . . . 0 C--N 1.324 -0.501 0 N-CA-C 110.277 -0.268 . . . . 1.4 110.277 -178.098 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 80.0 m-85 . . . . . 0 N--CA 1.451 -0.396 0 N-CA-C 109.915 -0.402 . . . . 0.36 109.915 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.401 HG23 ' HG3' ' A' ' 15' ' ' ARG . 9.0 t -103.38 7.85 38.1 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.92 0.39 . . . . 1.31 110.917 178.837 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' A' ' 15' ' ' ARG . 62.3 mtt180 -138.34 121.84 17.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.24 -0.436 . . . . 2.55 110.203 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.433 ' O ' ' HB3' ' A' ' 19' ' ' LEU . 6.6 p . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 115.642 -0.708 . . . . 1.27 110.856 -178.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 . . . . . 0 CA--C 1.519 -0.249 0 CA-C-O 120.522 0.201 . . . . 2.68 110.87 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.433 ' HB3' ' O ' ' A' ' 16' ' ' SER . 3.1 tm? -61.02 -51.59 68.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.289 -0.414 . . . . 0.86 110.406 -178.429 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 56.6 tp60 . . . . . 0 C--N 1.326 -0.432 0 CA-C-O 120.839 0.352 . . . . 1.83 111.246 -178.64 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 25.2 t60 . . . . . 0 N--CA 1.447 -0.593 0 N-CA-C 111.399 0.148 . . . . 0.21 111.399 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.7 tppt? . . . . . 0 C--O 1.237 0.426 0 CA-C-O 121.03 0.443 . . . . 1.01 110.262 -176.451 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 69.5 m . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 111.955 0.354 . . . . 1.33 111.955 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 . . . . . 0 C--N 1.326 -0.441 0 CA-C-O 121.109 0.48 . . . . 0.38 110.145 -176.261 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo . . . . . 0 N--CA 1.477 0.551 0 N-CA-C 110.373 -0.664 . . . . 1.31 110.373 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 57.2 m-85 . . . . . 0 C--N 1.324 -0.515 0 N-CA-C 109.432 -0.581 . . . . 0.41 109.432 -179.263 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 43.2 t . . . . . 0 N--CA 1.45 -0.453 0 N-CA-C 109.905 -0.406 . . . . 1.71 109.905 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 39.8 p -94.21 38.84 1.08 Allowed 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.092 -0.503 . . . . 1.47 110.66 -178.251 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 42.4 t-105 . . . . . 0 C--N 1.327 -0.409 0 CA-C-N 115.533 -0.758 . . . . 0.94 109.795 178.07 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.393 0 N-CA-C 112.674 -0.17 . . . . 0.95 112.674 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 13.9 t -126.5 -177.93 4.17 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 110.027 -0.36 . . . . 1.94 110.027 -178.666 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 169.36 49.23 0.03 OUTLIER Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.95 -0.643 . . . . 0.9 112.509 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 47.4 mmtm . . . . . 0 C--N 1.325 -0.478 0 O-C-N 122.823 -0.222 . . . . 1.4 110.697 -178.526 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 73.1 m-85 . . . . . 0 C--O 1.234 0.255 0 N-CA-C 110.306 -0.257 . . . . 0.36 110.306 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 21.4 p -113.8 -21.1 10.85 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 111.964 0.357 . . . . 1.31 111.964 -178.74 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 87.3 mtt180 -120.05 138.25 53.63 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.148 0.499 . . . . 2.55 110.79 178.092 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 45.8 m . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 115.074 -0.966 . . . . 1.27 111.209 -178.804 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 . . . . . 0 N--CA 1.455 -0.178 0 CA-C-O 120.747 0.308 . . . . 2.68 110.85 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -62.47 -49.23 76.25 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.75 -0.659 . . . . 0.86 111.068 -174.57 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 . . . . . 0 C--N 1.324 -0.52 0 CA-C-N 116.423 -0.353 . . . . 1.83 111.619 -175.973 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.439 ' O ' HG22 ' A' ' 25' ' ' THR . 31.7 t60 . . . . . 0 N--CA 1.448 -0.562 0 CA-C-O 119.864 -0.112 . . . . 0.21 111.287 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.6 tppt? . . . . . 0 CA--C 1.516 -0.348 0 N-CA-C 109.468 -0.567 . . . . 1.01 109.468 -176.718 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.439 HG22 ' O ' ' A' ' 22' ' ' HIS . 14.5 t . . . . . 0 CA--C 1.53 0.209 0 N-CA-C 111.684 0.253 . . . . 1.33 111.684 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 83.2 m-70 . . . . . 0 C--N 1.327 -0.409 0 CA-C-O 121.265 0.555 . . . . 0.38 109.666 177.185 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo . . . . . 0 N--CA 1.478 0.564 0 N-CA-C 109.948 -0.828 . . . . 1.31 109.948 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 . . . . . 0 C--N 1.321 -0.633 0 N-CA-C 109.02 -0.733 . . . . 0.41 109.02 179.935 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 53.7 t . . . . . 0 N--CA 1.445 -0.724 0 N-CA-C 109.773 -0.454 . . . . 1.71 109.773 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.5 m -93.39 46.76 1.21 Allowed 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.505 0.669 . . . . 1.47 110.131 -176.641 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 32.2 t-105 . . . . . 0 C--N 1.326 -0.42 0 CA-C-N 115.464 -0.789 . . . . 0.94 109.443 179.576 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.431 0 N-CA-C 112.612 -0.195 . . . . 0.95 112.612 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 10.7 t -140.27 154.12 46.74 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.593 0.235 . . . . 1.94 110.548 -179.041 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -158.25 34.99 0.52 Allowed Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.912 -0.661 . . . . 0.9 111.709 178.282 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 46.9 mmtm . . . . . 0 C--N 1.325 -0.493 0 C-N-CA 121.975 0.11 . . . . 1.4 110.875 -176.985 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 . . . . . 0 N--CA 1.456 -0.171 0 N-CA-C 110.382 -0.229 . . . . 0.36 110.382 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.0 t -99.51 -0.91 39.67 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.009 0.433 . . . . 1.31 110.952 -179.232 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 78.5 mtt180 -130.56 127.08 38.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.847 0.356 . . . . 2.55 110.539 177.384 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 15.7 p . . . . . 0 C--N 1.332 -0.194 0 CA-C-N 115.524 -0.762 . . . . 1.27 110.687 -179.276 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 . . . . . 0 N--CA 1.454 -0.234 0 CA-C-O 120.514 0.197 . . . . 2.68 111.258 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.425 ' C ' HD13 ' A' ' 19' ' ' LEU . 3.0 tm? -64.48 -53.42 48.39 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.932 -0.396 . . . . 0.86 109.932 178.087 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 22.2 tp60 . . . . . 0 C--N 1.326 -0.444 0 CA-C-N 116.391 -0.368 . . . . 1.83 111.243 -178.495 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.477 ' O ' HG22 ' A' ' 25' ' ' THR . 32.5 t60 . . . . . 0 N--CA 1.448 -0.536 0 N-CA-C 111.585 0.217 . . . . 0.21 111.585 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.9 tppt? . . . . . 0 N--CA 1.468 0.427 0 O-C-N 123.669 0.605 . . . . 1.01 110.301 -174.063 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.477 HG22 ' O ' ' A' ' 22' ' ' HIS . 15.2 t . . . . . 0 CA--C 1.531 0.24 0 N-CA-C 111.945 0.35 . . . . 1.33 111.945 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 66.5 m-70 . . . . . 0 C--N 1.328 -0.334 0 CA-C-O 121.237 0.541 . . . . 0.38 109.846 179.936 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo . . . . . 0 N--CA 1.479 0.624 0 N-CA-C 111.235 -0.333 . . . . 1.31 111.235 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 . . . . . 0 C--N 1.328 -0.349 0 N-CA-C 110.031 -0.359 . . . . 0.41 110.031 -177.634 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 39.4 t . . . . . 0 N--CA 1.446 -0.627 0 N-CA-C 109.656 -0.498 . . . . 1.71 109.656 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.0 m -102.15 37.91 1.77 Allowed 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.413 0.625 . . . . 1.47 109.998 -178.759 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 43.4 t-105 . . . . . 0 N--CA 1.454 -0.248 0 CA-C-N 115.645 -0.707 . . . . 0.94 109.413 176.657 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.42 0 N-CA-C 112.653 -0.179 . . . . 0.95 112.653 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 10.0 t -116.54 -169.7 1.68 Allowed 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.637 -0.505 . . . . 1.94 109.637 -178.826 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 159.25 61.56 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 121.152 -0.546 . . . . 0.9 111.962 -178.395 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt . . . . . 0 C--N 1.327 -0.395 0 N-CA-C 110.312 -0.255 . . . . 1.4 110.312 -176.1 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 84.0 m-85 . . . . . 0 C--O 1.238 0.458 0 CA-C-O 121.264 0.554 . . . . 0.36 111.2 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 30.6 m -95.5 -29.18 14.52 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.163 -0.926 . . . . 1.31 110.983 -176.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 30.1 mmt180 -118.72 138.48 52.61 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.016 0.436 . . . . 2.55 110.711 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.419 ' O ' ' HB3' ' A' ' 19' ' ' LEU . 17.3 t . . . . . 0 C--N 1.332 -0.193 0 CA-C-N 115.583 -0.735 . . . . 1.27 110.408 -178.883 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 . . . . . 0 CA--C 1.519 -0.228 0 CA-C-O 120.786 0.327 . . . . 2.68 110.493 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.419 ' HB3' ' O ' ' A' ' 16' ' ' SER . 3.4 tm? -60.53 -55.24 35.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.979 -0.555 . . . . 0.86 110.32 -179.311 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 54.0 tp60 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.299 -0.41 . . . . 1.83 110.787 -178.41 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.488 ' O ' HG22 ' A' ' 25' ' ' THR . 25.2 t60 . . . . . 0 N--CA 1.445 -0.69 0 N-CA-C 110.648 -0.13 . . . . 0.21 110.648 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.4 tppp? . . . . . 0 CA--C 1.517 -0.3 0 CA-C-O 121.136 0.493 . . . . 1.01 109.744 -177.21 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.488 HG22 ' O ' ' A' ' 22' ' ' HIS . 15.4 t . . . . . 0 CA--C 1.535 0.374 0 N-CA-C 111.844 0.313 . . . . 1.33 111.844 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 85.8 m-70 . . . . . 0 CA--C 1.517 -0.299 0 CA-C-O 121.393 0.616 . . . . 0.38 109.803 -179.206 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_exo . . . . . 0 N--CA 1.473 0.319 0 N-CA-C 110.313 -0.687 . . . . 1.31 110.313 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 . . . . . 0 C--N 1.324 -0.508 0 N-CA-C 109.567 -0.531 . . . . 0.41 109.567 179.515 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 23.3 t . . . . . 0 CA--C 1.53 0.2 0 CA-C-O 120.667 0.27 . . . . 1.71 111.719 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 48.7 p 55.73 14.2 1.23 Allowed 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.205 1.002 . . . . 1.47 113.455 177.476 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 23.1 t-105 . . . . . 0 C--N 1.327 -0.371 0 N-CA-C 109.559 -0.534 . . . . 0.94 109.559 178.527 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.679 0 CA-C-O 120.5 -0.055 . . . . 0.95 112.968 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.431 ' SG ' ' HG2' ' A' ' 11' ' ' LYS . 35.4 t -92.68 -74.76 0.51 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.552 0.176 . . . . 1.94 110.806 -177.492 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 67.12 60.69 5.78 Favored Glycine 0 CA--C 1.519 0.303 0 C-N-CA 120.951 -0.642 . . . . 0.9 113.069 178.729 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.431 ' HG2' ' SG ' ' A' ' 9' ' ' CYS . 72.1 mmtt . . . . . 0 C--N 1.329 -0.317 0 O-C-N 122.804 -0.233 . . . . 1.4 110.444 177.383 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 83.4 m-85 . . . . . 0 CA--C 1.52 -0.21 0 N-CA-C 110.407 -0.22 . . . . 0.36 110.407 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 15.1 t -94.08 -2.3 53.06 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.156 0.503 . . . . 1.31 110.912 -179.025 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 60.8 mtt85 -136.59 131.53 33.9 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.114 -0.494 . . . . 2.55 110.188 177.832 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.489 ' O ' ' HB3' ' A' ' 19' ' ' LEU . 21.0 t . . . . . 0 C--N 1.326 -0.454 0 CA-C-N 115.664 -0.698 . . . . 1.27 110.131 -178.43 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 . . . . . 0 C--O 1.226 -0.143 0 N-CA-C 111.651 0.241 . . . . 2.68 111.651 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.489 ' HB3' ' O ' ' A' ' 16' ' ' SER . 61.2 tp -63.25 -51.43 66.21 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.55 -0.295 . . . . 0.86 111.171 -178.678 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 57.5 tp60 . . . . . 0 C--N 1.326 -0.456 0 CA-C-O 120.849 0.356 . . . . 1.83 111.107 -179.551 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 58.4 t60 . . . . . 0 N--CA 1.45 -0.456 0 N-CA-C 111.891 0.33 . . . . 0.21 111.891 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 16.3 tppt? . . . . . 0 C--O 1.239 0.506 0 CA-C-O 121.213 0.53 . . . . 1.01 109.948 -175.506 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 63.0 p . . . . . 0 N--CA 1.453 -0.302 0 CA-C-O 120.682 0.277 . . . . 1.33 111.381 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 87.3 m-70 . . . . . 0 C--N 1.328 -0.334 0 CA-C-O 121.495 0.664 . . . . 0.38 109.33 -178.597 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_exo . . . . . 0 N--CA 1.479 0.644 0 N-CA-C 110.502 -0.615 . . . . 1.31 110.502 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 58.3 m-85 -109.9 118.21 35.85 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.308 -0.627 . . . . 0.41 109.308 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' 9KK . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 44.7 t -74.73 104.16 5.28 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 115.352 -0.84 . . . . 1.71 110.017 177.037 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 13.5 p -93.87 47.64 1.23 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.186 -0.461 . . . . 1.47 111.133 -178.055 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 51.9 t-105 -87.81 148.05 24.86 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.119 -0.491 . . . . 0.94 109.891 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.529 0 O-C-N 123.664 0.602 . . . . 1.21 109.852 178.771 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 92.25 2.87 67.93 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.583 -0.818 . . . . 0.95 112.144 179.102 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 6.5 t -124.07 -179.08 4.28 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.635 -0.505 . . . . 1.94 109.635 -178.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 163.84 57.68 0.02 OUTLIER Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 121.028 -0.606 . . . . 0.9 111.936 -178.774 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.461 ' HA ' ' HC1' ' A' ' 12' ' ' MMO . 34.9 mmtp -103.49 145.94 29.26 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 110.108 -0.33 . . . . 1.4 110.108 -177.637 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' MMO . . . . . 0.461 ' HC1' ' HA ' ' A' ' 11' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -124.48 150.58 45.58 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.523 -0.762 . . . . 0.36 110.514 -175.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.8 t -93.23 -1.58 56.04 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.212 0.53 . . . . 1.31 110.648 -178.62 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -129.7 125.48 36.06 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.974 -0.557 . . . . 2.55 110.131 177.378 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 22.9 t -65.89 -33.3 75.51 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.701 -0.682 . . . . 1.27 109.79 -179.561 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' B3D . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 70.0 mm-40 -73.76 -34.04 64.54 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 115.201 -0.909 . . . . 2.68 111.593 -177.596 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -65.9 -52.35 50.77 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 110.009 -0.367 . . . . 0.86 110.009 178.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 23.9 tp60 -66.1 -52.28 50.11 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.511 -0.313 . . . . 1.83 111.143 -178.689 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' HMR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.564 ' O ' HG22 ' A' ' 25' ' ' THR . 25.7 t60 -78.57 -54.54 6.03 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 112.732 -2.031 . . . . 0.21 110.68 140.512 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 19.9 tptm -50.21 -44.3 53.1 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 121.246 0.546 . . . . 1.01 109.56 -175.178 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' HMR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.564 HG22 ' O ' ' A' ' 22' ' ' HIS . 10.1 t -81.41 -28.68 34.18 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 112.701 -2.045 . . . . 1.33 111.616 148.266 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 67.3 m-70 -93.39 -53.38 4.1 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.695 -0.483 . . . . 0.38 109.695 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' B3T . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 127.52 -60.39 0.66 Allowed Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.719 -0.753 . . . . 2.18 112.168 179.729 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -103.18 -32.12 9.78 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.079 0.466 . . . . 4.89 110.272 178.481 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 89.2 tttt -116.74 91.3 3.55 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.421 0.629 . . . . 4.54 110.369 -179.263 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.737 0 CA-C-N 116.019 -0.537 . . . . 3.54 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.475 0.427 0 N-CA-C 110.411 -0.65 . . . . 1.31 110.411 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -127.14 136.81 52.62 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.386 -0.598 . . . . 0.41 109.386 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' 9KK . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 50.6 t -81.24 92.25 6.31 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.795 -0.639 . . . . 1.71 109.885 174.543 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 13.4 p -88.31 50.08 1.91 Allowed 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.266 0.555 . . . . 1.47 111.031 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 32.7 t-105 -84.02 154.23 23.39 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.823 -0.626 . . . . 0.94 109.349 179.027 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 0.586 0 O-C-N 123.601 0.563 . . . . 1.21 109.934 177.425 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 87.79 17.37 58.28 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.877 -0.678 . . . . 0.95 112.626 177.065 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 7.9 t -131.6 160.03 36.52 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.827 -0.434 . . . . 1.94 109.827 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -172.46 57.97 0.16 Allowed Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.74 -0.743 . . . . 0.9 112.449 -179.627 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.551 ' HA ' ' HC1' ' A' ' 12' ' ' MMO . 30.0 mtpp -107.36 141.15 39.18 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 110.136 -0.32 . . . . 1.4 110.136 179.695 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' MMO . . . . . 0.551 ' HC1' ' HA ' ' A' ' 11' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 -127.96 146.51 50.63 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.025 -0.989 . . . . 0.36 109.551 -175.806 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.0 t -88.74 -6.57 57.33 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.822 0.344 . . . . 1.31 111.145 -176.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 62.6 mtm180 -124.13 128.14 48.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.933 0.397 . . . . 2.55 110.268 177.473 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 18.6 t -62.76 -39.29 93.69 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.304 -0.862 . . . . 1.27 110.575 -176.568 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' B3D . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -73.81 -35.91 64.93 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.322 -0.853 . . . . 2.68 111.376 -177.724 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -66.44 -56.21 12.04 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.603 -0.271 . . . . 0.86 110.6 -179.528 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -75.97 -39.7 55.41 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.729 0.3 . . . . 1.83 111.401 -176.084 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' HMR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.572 ' O ' HG22 ' A' ' 25' ' ' THR . 42.2 t60 -74.88 -53.98 8.08 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 112.995 -1.911 . . . . 0.21 111.364 142.339 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.4 tppt? -50.25 -42.24 51.63 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 121.435 0.636 . . . . 1.01 110.066 -176.138 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' HMR . . . . . 0.46 ' HG3' ' HC2' ' A' ' 24' ' ' HMR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.572 HG22 ' O ' ' A' ' 22' ' ' HIS . 14.8 t -85.18 -30.97 23.48 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 110.012 -3.267 . . . . 1.33 112.015 149.37 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 88.1 m-70 -90.39 -42.26 11.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.434 0.635 . . . . 0.38 109.425 178.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' B3T . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 80.11 -65.53 3.77 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 121.172 -0.537 . . . . 2.18 112.368 -178.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -72.54 -13.52 61.42 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.916 0.388 . . . . 4.89 111.177 -177.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -144.01 92.75 2.36 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.248 0.547 . . . . 4.54 109.971 179.078 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.687 0 CA-C-N 116.186 -0.461 . . . . 3.54 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 8.8 Cg_endo . . . . . 0 N--CA 1.477 0.543 0 N-CA-C 110.272 -0.703 . . . . 1.31 110.272 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -123.39 137.78 54.74 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.398 -0.593 . . . . 0.41 109.398 179.557 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' 9KK . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.6 t -56.19 -46.34 79.46 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.226 -0.897 . . . . 1.71 111.037 175.744 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.3 m 70.12 11.57 7.61 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 115.314 -0.857 . . . . 1.47 111.664 174.744 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 31.2 t-105 -79.75 135.65 36.56 Favored 'General case' 0 N--CA 1.45 -0.425 0 N-CA-C 109.053 -0.721 . . . . 0.94 109.053 174.396 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.588 0 O-C-N 123.834 0.709 . . . . 1.21 110.695 -173.667 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 82.86 6.92 87.96 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 121.074 -0.584 . . . . 0.95 113.49 174.618 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 19.2 t -87.66 -60.12 2.06 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 117.099 0.449 . . . . 1.94 110.474 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 66.87 65.24 2.87 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.816 -0.707 . . . . 0.9 112.588 177.516 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.503 ' HA ' ' HC1' ' A' ' 12' ' ' MMO . 42.9 mmtm -132.25 131.21 41.87 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 110.499 -0.186 . . . . 1.4 110.499 179.153 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' MMO . . . . . 0.503 ' HC1' ' HA ' ' A' ' 11' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 73.7 m-85 -125.17 151.14 46.19 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.657 -0.701 . . . . 0.36 110.136 -175.22 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 15.1 t -93.2 2.18 56.77 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.873 0.368 . . . . 1.31 111.113 -176.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 78.0 mtp180 -132.93 120.93 22.1 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.394 -0.366 . . . . 2.55 110.081 177.374 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 12.5 p -61.89 -35.91 79.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.448 -0.796 . . . . 1.27 110.976 -175.463 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' B3D . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -79.85 -25.75 40.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.138 -0.937 . . . . 2.68 111.198 -176.784 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -69.09 -52.72 25.51 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 110.023 -0.362 . . . . 0.86 110.023 177.319 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -69.33 -50.81 43.06 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.27 -0.423 . . . . 1.83 110.797 179.575 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' HMR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.467 ' O ' HG22 ' A' ' 25' ' ' THR . 43.3 t60 -74.9 -56.42 4.77 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.388 -0.824 . . . . 0.21 111.758 146.243 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.0 tppp? -50.42 -47.08 56.77 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 121.136 0.493 . . . . 1.01 109.895 -176.121 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' HMR . . . . . 0.489 ' HD3' ' N ' ' A' ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.467 HG22 ' O ' ' A' ' 22' ' ' HIS . 6.5 t -86.38 -25.52 25.29 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 111.141 -2.754 . . . . 1.33 111.489 148.409 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 93.2 m-70 -93.18 -55.87 3.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.259 0.552 . . . . 0.38 109.963 177.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' B3T . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 66.3 -98.62 0.39 Allowed Glycine 0 CA--C 1.518 0.27 0 C-N-CA 120.913 -0.661 . . . . 2.18 112.655 178.518 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 36.1 mm-40 -81.51 -29.78 33.49 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.027 0.442 . . . . 4.89 110.518 178.556 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -99.43 87.33 3.58 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.392 0.615 . . . . 4.54 110.722 -176.529 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' NH2 . . . . . 0.489 ' N ' ' HD3' ' A' ' 24' ' ' HMR . . . . . . . . 0 C--N 1.319 -0.755 0 CA-C-N 115.9 -0.591 . . . . 3.54 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_exo . . . . . 0 N--CA 1.48 0.699 0 N-CA-C 110.471 -0.627 . . . . 1.31 110.471 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.441 ' CE2' ' HB3' ' A' ' 16' ' ' SER . 98.3 m-85 -85.54 139.69 31.26 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.677 -0.49 . . . . 0.41 109.677 -179.181 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' 9KK . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.43 ' SG ' ' HB2' ' A' ' 6' ' ' TRP . 37.5 t -72.12 -57.85 3.92 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.522 -0.763 . . . . 1.71 109.207 172.714 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.1 m 56.18 39.95 30.18 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.586 0.708 . . . . 1.47 110.866 178.258 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.586 ' HB3' ' HB3' ' A' ' 9' ' ' CYS . 28.0 t-105 -90.6 161.63 15.34 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 107.882 -1.155 . . . . 0.94 107.882 173.882 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 0.674 0 N-CA-C 109.852 -0.425 . . . . 1.21 109.852 179.011 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 81.78 14.21 78.17 Favored Glycine 0 C--N 1.331 0.304 0 C-N-CA 121.114 -0.565 . . . . 0.95 113.273 177.762 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.586 ' HB3' ' HB3' ' A' ' 6' ' ' TRP . 49.8 t -143.49 89.91 2.12 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.828 0.347 . . . . 1.94 111.313 -176.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -99.24 43.83 1.78 Allowed Glycine 0 CA--C 1.517 0.177 0 C-N-CA 121.11 -0.567 . . . . 0.9 112.077 179.556 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.511 ' HA ' ' HC1' ' A' ' 12' ' ' MMO . 70.5 mmtt -64.26 146.96 53.48 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 122.703 0.401 . . . . 1.4 111.559 -178.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' MMO . . . . . 0.511 ' HC1' ' HA ' ' A' ' 11' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -135.87 164.14 28.63 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.685 -0.689 . . . . 0.36 110.819 -175.293 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 24.2 m -88.07 -32.41 18.76 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.593 -0.731 . . . . 1.31 111.763 -174.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -120.61 144.13 48.3 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.049 0.452 . . . . 2.55 111.162 179.565 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.441 ' HB3' ' CE2' ' A' ' 2' ' ' PHE . 18.1 p -65.59 -33.3 75.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.154 -0.93 . . . . 1.27 111.152 -178.634 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' B3D . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -64.86 -41.79 95.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.154 -0.93 . . . . 2.68 110.51 178.631 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.425 ' HB3' ' O ' ' A' ' 16' ' ' SER . 3.1 tm? -64.47 -56.57 13.34 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.029 -0.532 . . . . 0.86 110.635 -179.171 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.59 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 7.8 tp60 -63.89 -51.53 64.12 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.914 0.387 . . . . 1.83 111.353 -177.495 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' HMR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.506 ' O ' HG22 ' A' ' 25' ' ' THR . 52.1 t60 -78.26 -54.56 6.08 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 110.035 -3.257 . . . . 0.21 111.307 141.326 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.59 ' HB2' ' O ' ' A' ' 20' ' ' GLN . 70.1 mmtt -46.27 -48.29 18.04 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-O 121.128 0.49 . . . . 1.01 110.39 -178.011 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' HMR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.506 HG22 ' O ' ' A' ' 22' ' ' HIS . 10.3 t -81.05 -34.04 33.07 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 114.172 -1.376 . . . . 1.33 111.547 147.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -81.44 -49.17 10.96 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.434 -0.58 . . . . 0.38 109.434 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' B3T . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 82.47 -84.86 1.5 Allowed Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.587 -0.816 . . . . 2.18 112.242 -179.541 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -79.02 -42.23 27.01 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.877 0.37 . . . . 4.89 110.6 -177.163 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -93.56 92.84 7.76 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.202 0.525 . . . . 4.54 110.278 178.3 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.694 0 CA-C-N 116.053 -0.521 . . . . 3.54 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo . . . . . 0 N--CA 1.478 0.577 0 N-CA-C 110.343 -0.676 . . . . 1.31 110.343 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -107.03 135.47 48.53 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.816 -0.439 . . . . 0.41 109.816 -177.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' 9KK . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.447 ' SG ' ' HB2' ' A' ' 6' ' ' TRP . 2.3 t -60.79 -36.2 78.39 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.609 -0.723 . . . . 1.71 111.538 178.104 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 76.4 p 58.67 19.25 6.6 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.29 1.036 . . . . 1.47 113.097 176.054 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.447 ' HB2' ' SG ' ' A' ' 4' ' ' CYS . 8.5 t-105 -89.81 128.02 36.08 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.602 -0.518 . . . . 0.94 109.602 177.776 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 0.503 0 O-C-N 123.81 0.693 . . . . 1.21 110.261 -178.184 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 100.14 -13.86 60.08 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.883 -0.675 . . . . 0.95 113.201 175.782 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 14.1 t -85.75 -60.43 2.02 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.732 0.266 . . . . 1.94 110.668 -177.372 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 61.25 65.13 3.47 Favored Glycine 0 C--N 1.33 0.226 0 C-N-CA 121.058 -0.591 . . . . 0.9 113.113 175.688 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.535 ' HA ' ' HC1' ' A' ' 12' ' ' MMO . 40.5 mmtm -135.55 134.15 39.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 122.834 -0.215 . . . . 1.4 110.583 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' MMO . . . . . 0.535 ' HC1' ' HA ' ' A' ' 11' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 -138.76 155.6 48.06 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.053 -0.976 . . . . 0.36 109.706 -175.23 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.0 t -99.33 -7.04 26.85 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 120.924 0.392 . . . . 1.31 110.539 179.721 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -123.08 126.48 47.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.056 -0.52 . . . . 2.55 110.609 177.024 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 58.4 p -67.86 -36.69 80.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.619 -0.719 . . . . 1.27 110.517 -178.618 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' B3D . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 29.7 mm-40 -73.63 -35.62 65.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.161 -0.927 . . . . 2.68 111.653 -176.09 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -64.07 -49.25 73.05 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.809 -0.441 . . . . 0.86 109.809 178.521 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -66.44 -57.73 6.76 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.225 -0.443 . . . . 1.83 110.876 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' HMR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 64.3 t60 -83.8 -55.75 4.08 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 108.939 -3.755 . . . . 0.21 111.448 145.703 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 32.6 mmtp -51.2 -49.46 60.95 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 120.941 0.4 . . . . 1.01 110.83 -177.311 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' HMR . . . . . 0.427 ' HG3' ' HC2' ' A' ' 24' ' ' HMR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 81.3 p -90.26 -45.9 8.77 Favored 'General case' 0 C--N 1.328 -0.328 1 CA-C-N 106.379 -4.918 . . . . 1.33 111.758 149.3 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -75.14 -36.57 61.57 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-O 121.347 0.594 . . . . 0.38 109.9 -178.394 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' B3T . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 76.93 28.25 59.1 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.798 -0.715 . . . . 2.18 111.727 -178.455 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 54.94 57.82 5.3 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 121.058 0.456 . . . . 4.89 110.951 -178.418 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 47.6 mtmt -115.71 66.05 0.7 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.478 0.656 . . . . 4.54 109.936 178.474 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.722 0 CA-C-N 115.685 -0.689 . . . . 3.54 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo . . . . . 0 N--CA 1.481 0.75 0 N-CA-C 110.966 -0.436 . . . . 1.31 110.966 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -98.76 134.38 41.74 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.962 -0.384 . . . . 0.41 109.962 -178.671 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' 9KK . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 50.2 t -86.36 93.19 9.04 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.566 -0.743 . . . . 1.71 109.854 175.487 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.7 m -92.95 42.97 1.11 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.522 0.677 . . . . 1.47 110.369 -179.046 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 30.6 t-105 -68.04 159.04 31.6 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.411 -0.813 . . . . 0.94 109.81 178.406 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 0.563 0 O-C-N 123.479 0.487 . . . . 1.21 109.875 177.452 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 82.87 6.54 88.31 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 121.023 -0.608 . . . . 0.95 112.59 177.815 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 11.8 t -116.44 -176.49 2.97 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.87 0.366 . . . . 1.94 110.073 -178.627 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 161.32 55.02 0.02 OUTLIER Glycine 0 N--CA 1.445 -0.7 0 N-CA-C 111.488 -0.645 . . . . 0.9 111.488 -177.517 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.482 ' HA ' ' HC1' ' A' ' 12' ' ' MMO . 35.0 mmtp -107.99 141.96 38.86 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 110.277 -0.268 . . . . 1.4 110.277 -178.098 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' MMO . . . . . 0.482 ' HC1' ' HA ' ' A' ' 11' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 80.0 m-85 -130.98 153.23 49.44 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.162 -0.926 . . . . 0.36 109.915 -175.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.401 HG23 ' HG3' ' A' ' 15' ' ' ARG . 9.0 t -103.38 7.85 38.1 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.92 0.39 . . . . 1.31 110.917 178.837 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' A' ' 15' ' ' ARG . 62.3 mtt180 -138.34 121.84 17.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.24 -0.436 . . . . 2.55 110.203 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.433 ' O ' ' HB3' ' A' ' 19' ' ' LEU . 6.6 p -61.21 -37.59 83.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.642 -0.708 . . . . 1.27 110.856 -178.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' B3D . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -65.55 -42.63 91.65 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-N 115.227 -0.897 . . . . 2.68 110.87 178.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.433 ' HB3' ' O ' ' A' ' 16' ' ' SER . 3.1 tm? -61.02 -51.59 68.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.289 -0.414 . . . . 0.86 110.406 -178.429 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 56.6 tp60 -67.71 -56.49 9.1 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.839 0.352 . . . . 1.83 111.246 -178.64 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' HMR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 25.2 t60 -83.74 -46.16 12.56 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 112.507 -2.133 . . . . 0.21 111.399 145.081 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.7 tppt? -55.31 -44.51 75.85 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-O 121.03 0.443 . . . . 1.01 110.262 -176.451 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' HMR . . . . . 0.444 ' HG3' ' HC2' ' A' ' 24' ' ' HMR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 69.5 m -69.29 -47.56 64.2 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 109.906 -3.315 . . . . 1.33 111.955 148.122 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 -85.73 -33.92 21.35 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.109 0.48 . . . . 0.38 110.145 -176.261 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' B3T . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 75.46 -67.91 2.17 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 121.016 -0.611 . . . . 2.18 111.928 -177.434 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -79.05 77.35 5.53 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.066 0.46 . . . . 4.89 110.201 178.363 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 53.8 tptt -148.37 -71.3 0.21 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.903 -0.589 . . . . 4.54 109.81 -178.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.623 0 CA-C-N 116.491 -0.322 . . . . 3.54 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo . . . . . 0 N--CA 1.477 0.551 0 N-CA-C 110.373 -0.664 . . . . 1.31 110.373 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 57.2 m-85 -117.31 131.06 56.88 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.432 -0.581 . . . . 0.41 109.432 -179.263 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' 9KK . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 43.2 t -70.47 98.19 1.41 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.758 -0.655 . . . . 1.71 109.905 178.326 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 39.8 p -94.21 38.84 1.08 Allowed 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.092 -0.503 . . . . 1.47 110.66 -178.251 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 42.4 t-105 -64.4 152.45 41.4 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.533 -0.758 . . . . 0.94 109.795 178.07 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 0.463 0 O-C-N 123.682 0.614 . . . . 1.21 109.745 178.239 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 95.64 11.28 55.67 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.947 -0.644 . . . . 0.95 112.674 178.234 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 13.9 t -126.5 -177.93 4.17 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 110.027 -0.36 . . . . 1.94 110.027 -178.666 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 169.36 49.23 0.03 OUTLIER Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.95 -0.643 . . . . 0.9 112.509 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.494 ' HA ' ' HC1' ' A' ' 12' ' ' MMO . 47.4 mmtm -95.58 145.68 25.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 122.823 -0.222 . . . . 1.4 110.697 -178.526 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' MMO . . . . . 0.494 ' HC1' ' HA ' ' A' ' 11' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 73.1 m-85 -128.98 173.91 10.0 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.37 -0.832 . . . . 0.36 110.306 -175.39 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 21.4 p -113.8 -21.1 10.85 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 111.964 0.357 . . . . 1.31 111.964 -178.74 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 87.3 mtt180 -120.05 138.25 53.63 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.148 0.499 . . . . 2.55 110.79 178.092 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 45.8 m -63.64 -33.56 75.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.074 -0.966 . . . . 1.27 111.209 -178.804 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' B3D . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -61.46 -50.17 73.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.16 -0.927 . . . . 2.68 110.85 177.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -62.47 -49.23 76.25 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.75 -0.659 . . . . 0.86 111.068 -174.57 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -74.59 -51.51 14.36 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.423 -0.353 . . . . 1.83 111.619 -175.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' HMR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.439 ' O ' HG22 ' A' ' 25' ' ' THR . 31.7 t60 -88.39 -49.7 6.78 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 108.477 -3.965 . . . . 0.21 111.287 144.104 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.6 tppt? -50.0 -42.41 49.12 Favored 'General case' 0 CA--C 1.516 -0.348 0 N-CA-C 109.468 -0.567 . . . . 1.01 109.468 -176.718 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' HMR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.439 HG22 ' O ' ' A' ' 22' ' ' HIS . 14.5 t -90.66 -15.73 29.87 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 110.61 -2.996 . . . . 1.33 111.684 148.384 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 83.2 m-70 -104.58 -62.83 1.28 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.265 0.555 . . . . 0.38 109.666 177.185 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' B3T . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 69.99 173.6 12.1 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.971 -0.633 . . . . 2.18 112.145 -176.2 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 59.09 44.08 16.53 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 120.934 0.397 . . . . 4.89 111.133 176.427 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 56.5 pttt -147.97 65.07 1.1 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.643 0.735 . . . . 4.54 110.662 -179.374 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.732 0 CA-C-N 115.859 -0.61 . . . . 3.54 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo . . . . . 0 N--CA 1.478 0.564 0 N-CA-C 109.948 -0.828 . . . . 1.31 109.948 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -125.42 130.36 51.71 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.02 -0.733 . . . . 0.41 109.02 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' 9KK . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 53.7 t -67.85 95.77 0.54 Allowed 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.323 -0.853 . . . . 1.71 109.773 176.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.5 m -93.39 46.76 1.21 Allowed 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.505 0.669 . . . . 1.47 110.131 -176.641 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 32.2 t-105 -78.97 154.65 29.4 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.464 -0.789 . . . . 0.94 109.443 179.576 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 0.574 0 O-C-N 123.587 0.554 . . . . 1.21 109.553 177.132 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 90.37 19.71 44.45 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.838 -0.696 . . . . 0.95 112.612 178.16 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 10.7 t -140.27 154.12 46.74 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.593 0.235 . . . . 1.94 110.548 -179.041 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -158.25 34.99 0.52 Allowed Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.912 -0.661 . . . . 0.9 111.709 178.282 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.502 ' HA ' ' HC1' ' A' ' 12' ' ' MMO . 46.9 mmtm -73.68 136.67 43.8 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 121.975 0.11 . . . . 1.4 110.875 -176.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' MMO . . . . . 0.502 ' HC1' ' HA ' ' A' ' 11' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -135.21 156.95 48.12 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.535 -0.757 . . . . 0.36 110.382 -174.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.0 t -99.51 -0.91 39.67 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.009 0.433 . . . . 1.31 110.952 -179.232 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 78.5 mtt180 -130.56 127.08 38.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.847 0.356 . . . . 2.55 110.539 177.384 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 15.7 p -61.98 -39.82 93.51 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.524 -0.762 . . . . 1.27 110.687 -179.276 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' B3D . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -76.72 -33.35 58.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.156 -0.929 . . . . 2.68 111.258 -177.546 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.425 ' C ' HD13 ' A' ' 19' ' ' LEU . 3.0 tm? -64.48 -53.42 48.39 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.932 -0.396 . . . . 0.86 109.932 178.087 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 22.2 tp60 -70.39 -48.26 57.03 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.391 -0.368 . . . . 1.83 111.243 -178.495 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' HMR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.477 ' O ' HG22 ' A' ' 25' ' ' THR . 32.5 t60 -81.28 -55.0 5.01 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 113.149 -1.841 . . . . 0.21 111.585 144.397 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.9 tppt? -48.79 -44.24 38.77 Favored 'General case' 0 N--CA 1.468 0.427 0 O-C-N 123.669 0.605 . . . . 1.01 110.301 -174.063 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' HMR . . . . . 0.422 ' HG3' ' HC2' ' A' ' 24' ' ' HMR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.477 HG22 ' O ' ' A' ' 22' ' ' HIS . 15.2 t -83.57 -29.12 28.08 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 109.706 -3.406 . . . . 1.33 111.945 150.106 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 66.5 m-70 -98.81 -47.36 5.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.237 0.541 . . . . 0.38 109.846 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' B3T . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 96.21 -81.39 0.77 Allowed Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.688 -0.768 . . . . 2.18 111.767 -177.278 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -73.03 -50.25 24.12 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.98 0.419 . . . . 4.89 110.507 -179.444 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm -91.95 93.97 9.05 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.299 0.571 . . . . 4.54 110.136 179.437 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.717 0 CA-C-N 116.106 -0.497 . . . . 3.54 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo . . . . . 0 N--CA 1.479 0.624 0 N-CA-C 111.235 -0.333 . . . . 1.31 111.235 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -91.51 143.82 26.2 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 110.031 -0.359 . . . . 0.41 110.031 -177.634 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' 9KK . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 39.4 t -67.4 104.39 1.52 Allowed 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.471 -0.786 . . . . 1.71 109.656 175.091 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.0 m -102.15 37.91 1.77 Allowed 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.413 0.625 . . . . 1.47 109.998 -178.759 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 43.4 t-105 -64.29 148.98 49.05 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 115.645 -0.707 . . . . 0.94 109.413 176.657 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.548 0 O-C-N 123.624 0.577 . . . . 1.21 109.751 179.684 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 94.62 -1.96 66.77 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.866 -0.683 . . . . 0.95 112.653 178.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 10.0 t -116.54 -169.7 1.68 Allowed 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.637 -0.505 . . . . 1.94 109.637 -178.826 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 159.25 61.56 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 121.152 -0.546 . . . . 0.9 111.962 -178.395 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.518 ' HA ' ' HC1' ' A' ' 12' ' ' MMO . 75.8 mmtt -108.55 143.95 36.88 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 110.312 -0.255 . . . . 1.4 110.312 -176.1 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' MMO . . . . . 0.518 ' HC1' ' HA ' ' A' ' 11' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 84.0 m-85 -141.27 159.45 42.19 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-N 115.73 -0.668 . . . . 0.36 111.2 -171.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 30.6 m -95.5 -29.18 14.52 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.163 -0.926 . . . . 1.31 110.983 -176.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 30.1 mmt180 -118.72 138.48 52.61 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.016 0.436 . . . . 2.55 110.711 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.419 ' O ' ' HB3' ' A' ' 19' ' ' LEU . 17.3 t -66.85 -29.07 68.89 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.583 -0.735 . . . . 1.27 110.408 -178.883 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' B3D . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -67.46 -45.73 75.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.238 -0.892 . . . . 2.68 110.493 179.722 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.419 ' HB3' ' O ' ' A' ' 16' ' ' SER . 3.4 tm? -60.53 -55.24 35.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.979 -0.555 . . . . 0.86 110.32 -179.311 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 54.0 tp60 -61.45 -57.03 13.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.299 -0.41 . . . . 1.83 110.787 -178.41 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' HMR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.488 ' O ' HG22 ' A' ' 25' ' ' THR . 25.2 t60 -90.2 -51.9 5.21 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 109.224 -3.625 . . . . 0.21 110.648 140.363 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.4 tppp? -49.96 -46.16 52.07 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-O 121.136 0.493 . . . . 1.01 109.744 -177.21 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' HMR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.488 HG22 ' O ' ' A' ' 22' ' ' HIS . 15.4 t -85.51 -35.48 21.13 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 111.517 -2.583 . . . . 1.33 111.844 148.653 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 85.8 m-70 -86.73 -45.97 10.45 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-O 121.393 0.616 . . . . 0.38 109.803 -179.206 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' B3T . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -68.91 -28.7 72.82 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.68 -0.772 . . . . 2.18 111.862 178.297 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -107.43 81.47 1.53 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.987 0.422 . . . . 4.89 110.141 179.653 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 62.5 tttm -135.27 79.11 1.77 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.593 0.711 . . . . 4.54 110.179 179.551 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.317 -0.823 0 CA-C-N 115.95 -0.568 . . . . 3.54 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_exo . . . . . 0 N--CA 1.473 0.319 0 N-CA-C 110.313 -0.687 . . . . 1.31 110.313 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -120.92 139.91 52.57 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.567 -0.531 . . . . 0.41 109.567 179.515 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' 9KK . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 23.3 t -60.96 -33.13 72.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.759 -0.655 . . . . 1.71 111.719 -179.649 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 48.7 p 55.73 14.2 1.23 Allowed 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.205 1.002 . . . . 1.47 113.455 177.476 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 23.1 t-105 -79.62 137.26 37.05 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.559 -0.534 . . . . 0.94 109.559 178.527 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 0.374 0 O-C-N 123.7 0.625 . . . . 1.21 110.351 -176.476 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 92.65 -3.87 75.27 Favored Glycine 0 N--CA 1.446 -0.679 0 C-N-CA 120.931 -0.652 . . . . 0.95 112.968 175.489 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.431 ' SG ' ' HG2' ' A' ' 11' ' ' LYS . 35.4 t -92.68 -74.76 0.51 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.552 0.176 . . . . 1.94 110.806 -177.492 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 67.12 60.69 5.78 Favored Glycine 0 CA--C 1.519 0.303 0 C-N-CA 120.951 -0.642 . . . . 0.9 113.069 178.729 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.494 ' HA ' ' HC1' ' A' ' 12' ' ' MMO . 72.1 mmtt -116.61 143.29 45.8 Favored 'General case' 0 C--N 1.329 -0.317 0 O-C-N 122.804 -0.233 . . . . 1.4 110.444 177.383 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' MMO . . . . . 0.494 ' HC1' ' HA ' ' A' ' 11' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 83.4 m-85 -133.3 152.36 51.92 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.423 -0.808 . . . . 0.36 110.407 -174.552 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 15.1 t -94.08 -2.3 53.06 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.156 0.503 . . . . 1.31 110.912 -179.025 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 60.8 mtt85 -136.59 131.53 33.9 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.114 -0.494 . . . . 2.55 110.188 177.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.489 ' O ' ' HB3' ' A' ' 19' ' ' LEU . 21.0 t -70.24 -33.15 71.29 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.664 -0.698 . . . . 1.27 110.131 -178.43 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' B3D . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 -62.54 -43.83 97.83 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.225 -0.898 . . . . 2.68 111.651 -179.309 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.489 ' HB3' ' O ' ' A' ' 16' ' ' SER . 61.2 tp -63.25 -51.43 66.21 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.55 -0.295 . . . . 0.86 111.171 -178.678 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 57.5 tp60 -66.35 -61.51 1.97 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.849 0.356 . . . . 1.83 111.107 -179.551 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' HMR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 58.4 t60 -82.18 -53.16 6.3 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 113.066 -1.879 . . . . 0.21 111.891 146.285 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 16.3 tppt? -50.13 -44.86 52.62 Favored 'General case' 0 C--O 1.239 0.506 0 CA-C-O 121.213 0.53 . . . . 1.01 109.948 -175.506 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' HMR . . . . . 0.431 ' HG3' ' HC2' ' A' ' 24' ' ' HMR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 63.0 p -83.52 -48.97 9.71 Favored 'General case' 0 N--CA 1.453 -0.302 1 CA-C-N 105.878 -5.146 . . . . 1.33 111.381 148.801 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 87.3 m-70 -78.49 -37.12 44.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.495 0.664 . . . . 0.38 109.33 -178.597 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' B3T . . . . . 0.404 ' HAA' ' HG2' ' A' ' 24' ' ' HMR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 65.7 44.74 91.88 Favored Glycine 0 C--N 1.331 0.266 0 C-N-CA 120.947 -0.644 . . . . 2.18 113.038 177.542 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 57.71 53.53 7.08 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 121.461 0.648 . . . . 4.89 110.314 179.459 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -120.55 90.11 3.26 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.756 -0.656 . . . . 4.54 109.85 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.756 0 CA-C-N 115.967 -0.56 . . . . 3.54 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_exo . . . . . 0 N--CA 1.479 0.644 0 N-CA-C 110.502 -0.615 . . . . 1.31 110.502 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 58.3 m-85 . . . . . 0 C--N 1.323 -0.576 0 N-CA-C 109.308 -0.627 . . . . 0.41 109.308 179.93 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 44.7 t . . . . . 0 N--CA 1.445 -0.699 0 N-CA-C 110.017 -0.364 . . . . 1.71 110.017 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 13.5 p -93.87 47.64 1.23 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.186 -0.461 . . . . 1.47 111.133 -178.055 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 51.9 t-105 . . . . . 0 C--N 1.326 -0.447 0 CA-C-N 116.119 -0.491 . . . . 0.94 109.891 179.734 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.503 0 N-CA-C 112.144 -0.382 . . . . 0.95 112.144 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 6.5 t -124.07 -179.08 4.28 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.635 -0.505 . . . . 1.94 109.635 -178.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 163.84 57.68 0.02 OUTLIER Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 121.028 -0.606 . . . . 0.9 111.936 -178.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp . . . . . 0 C--N 1.325 -0.491 0 N-CA-C 110.108 -0.33 . . . . 1.4 110.108 -177.637 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 . . . . . 0 N--CA 1.454 -0.253 0 CA-C-O 120.765 0.317 . . . . 0.36 110.514 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.8 t -93.23 -1.58 56.04 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.212 0.53 . . . . 1.31 110.648 -178.62 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -129.7 125.48 36.06 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.974 -0.557 . . . . 2.55 110.131 177.378 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 22.9 t . . . . . 0 C--N 1.327 -0.389 0 CA-C-N 115.701 -0.682 . . . . 1.27 109.79 -179.561 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 70.0 mm-40 . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 111.593 0.22 . . . . 2.68 111.593 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -65.9 -52.35 50.77 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 110.009 -0.367 . . . . 0.86 110.009 178.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 23.9 tp60 . . . . . 0 C--N 1.327 -0.398 0 CA-C-N 116.511 -0.313 . . . . 1.83 111.143 -178.689 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.564 ' O ' HG22 ' A' ' 25' ' ' THR . 25.7 t60 . . . . . 0 N--CA 1.447 -0.579 0 N-CA-C 110.68 -0.118 . . . . 0.21 110.68 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 19.9 tptm . . . . . 0 N--CA 1.467 0.376 0 CA-C-O 121.246 0.546 . . . . 1.01 109.56 -175.178 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.564 HG22 ' O ' ' A' ' 22' ' ' HIS . 10.1 t . . . . . 0 N--CA 1.456 -0.142 0 N-CA-C 111.616 0.228 . . . . 1.33 111.616 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 67.3 m-70 . . . . . 0 C--N 1.324 -0.524 0 N-CA-C 109.695 -0.483 . . . . 0.38 109.695 179.863 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.475 0.427 0 N-CA-C 110.411 -0.65 . . . . 1.31 110.411 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 . . . . . 0 C--N 1.323 -0.557 0 N-CA-C 109.386 -0.598 . . . . 0.41 109.386 -179.737 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 50.6 t . . . . . 0 N--CA 1.445 -0.701 0 N-CA-C 109.885 -0.413 . . . . 1.71 109.885 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 13.4 p -88.31 50.08 1.91 Allowed 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.266 0.555 . . . . 1.47 111.031 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 32.7 t-105 . . . . . 0 C--N 1.325 -0.484 0 CA-C-N 115.823 -0.626 . . . . 0.94 109.349 179.027 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.377 0 N-CA-C 112.626 -0.19 . . . . 0.95 112.626 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 7.9 t -131.6 160.03 36.52 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.827 -0.434 . . . . 1.94 109.827 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -172.46 57.97 0.16 Allowed Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.74 -0.743 . . . . 0.9 112.449 -179.627 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 30.0 mtpp . . . . . 0 C--N 1.324 -0.541 0 N-CA-C 110.136 -0.32 . . . . 1.4 110.136 179.695 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 109.551 -0.537 . . . . 0.36 109.551 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.0 t -88.74 -6.57 57.33 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.822 0.344 . . . . 1.31 111.145 -176.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 62.6 mtm180 -124.13 128.14 48.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.933 0.397 . . . . 2.55 110.268 177.473 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 18.6 t . . . . . 0 C--N 1.331 -0.218 0 CA-C-N 115.304 -0.862 . . . . 1.27 110.575 -176.568 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 . . . . . 0 N--CA 1.451 -0.406 0 CA-C-O 120.45 0.167 . . . . 2.68 111.376 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -66.44 -56.21 12.04 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.603 -0.271 . . . . 0.86 110.6 -179.528 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 . . . . . 0 C--N 1.323 -0.567 0 CA-C-O 120.729 0.3 . . . . 1.83 111.401 -176.084 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.572 ' O ' HG22 ' A' ' 25' ' ' THR . 42.2 t60 . . . . . 0 N--CA 1.45 -0.434 0 N-CA-C 111.364 0.135 . . . . 0.21 111.364 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.4 tppt? . . . . . 0 N--CA 1.468 0.431 0 CA-C-O 121.435 0.636 . . . . 1.01 110.066 -176.138 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.572 HG22 ' O ' ' A' ' 22' ' ' HIS . 14.8 t . . . . . 0 CA--C 1.532 0.252 0 N-CA-C 112.015 0.376 . . . . 1.33 112.015 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 88.1 m-70 . . . . . 0 C--N 1.33 -0.273 0 CA-C-O 121.434 0.635 . . . . 0.38 109.425 178.903 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 8.8 Cg_endo . . . . . 0 N--CA 1.477 0.543 0 N-CA-C 110.272 -0.703 . . . . 1.31 110.272 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 . . . . . 0 C--N 1.325 -0.496 0 N-CA-C 109.398 -0.593 . . . . 0.41 109.398 179.557 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.6 t . . . . . 0 N--CA 1.451 -0.388 0 CA-C-O 121.051 0.453 . . . . 1.71 111.037 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.3 m 70.12 11.57 7.61 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 115.314 -0.857 . . . . 1.47 111.664 174.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 31.2 t-105 . . . . . 0 N--CA 1.45 -0.425 0 N-CA-C 109.053 -0.721 . . . . 0.94 109.053 174.396 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 113.49 0.156 . . . . 0.95 113.49 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 19.2 t -87.66 -60.12 2.06 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 117.099 0.449 . . . . 1.94 110.474 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 66.87 65.24 2.87 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.816 -0.707 . . . . 0.9 112.588 177.516 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 42.9 mmtm . . . . . 0 C--N 1.325 -0.467 0 N-CA-C 110.499 -0.186 . . . . 1.4 110.499 179.153 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 73.7 m-85 . . . . . 0 N--CA 1.455 -0.18 0 N-CA-C 110.136 -0.32 . . . . 0.36 110.136 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 15.1 t -93.2 2.18 56.77 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.873 0.368 . . . . 1.31 111.113 -176.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 78.0 mtp180 -132.93 120.93 22.1 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.394 -0.366 . . . . 2.55 110.081 177.374 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 12.5 p . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 115.448 -0.796 . . . . 1.27 110.976 -175.463 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 . . . . . 0 N--CA 1.454 -0.232 0 CA-C-O 120.599 0.238 . . . . 2.68 111.198 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -69.09 -52.72 25.51 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 110.023 -0.362 . . . . 0.86 110.023 177.319 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 . . . . . 0 C--N 1.324 -0.5 0 CA-C-N 116.27 -0.423 . . . . 1.83 110.797 179.575 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.467 ' O ' HG22 ' A' ' 25' ' ' THR . 43.3 t60 . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 111.758 0.281 . . . . 0.21 111.758 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.0 tppp? . . . . . 0 N--CA 1.466 0.333 0 CA-C-O 121.136 0.493 . . . . 1.01 109.895 -176.121 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.467 HG22 ' O ' ' A' ' 22' ' ' HIS . 6.5 t . . . . . 0 CA--C 1.534 0.339 0 CA-C-O 120.647 0.26 . . . . 1.33 111.489 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 93.2 m-70 . . . . . 0 C--N 1.329 -0.299 0 CA-C-O 121.259 0.552 . . . . 0.38 109.963 177.937 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_exo . . . . . 0 N--CA 1.48 0.699 0 N-CA-C 110.471 -0.627 . . . . 1.31 110.471 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . 0.441 ' CE2' ' HB3' ' A' ' 16' ' ' SER . 98.3 m-85 . . . . . 0 C--N 1.324 -0.524 0 N-CA-C 109.677 -0.49 . . . . 0.41 109.677 -179.181 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.43 ' SG ' ' HB2' ' A' ' 6' ' ' TRP . 37.5 t . . . . . 0 N--CA 1.447 -0.617 0 N-CA-C 109.207 -0.664 . . . . 1.71 109.207 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.1 m 56.18 39.95 30.18 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.586 0.708 . . . . 1.47 110.866 178.258 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.586 ' HB3' ' HB3' ' A' ' 9' ' ' CYS . 28.0 t-105 . . . . . 0 C--N 1.324 -0.515 0 N-CA-C 107.882 -1.155 . . . . 0.94 107.882 173.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 0.259 0 N-CA-C 113.273 0.069 . . . . 0.95 113.273 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.586 ' HB3' ' HB3' ' A' ' 6' ' ' TRP . 49.8 t -143.49 89.91 2.12 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.828 0.347 . . . . 1.94 111.313 -176.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -99.24 43.83 1.78 Allowed Glycine 0 CA--C 1.517 0.177 0 C-N-CA 121.11 -0.567 . . . . 0.9 112.077 179.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 70.5 mmtt . . . . . 0 C--N 1.328 -0.363 0 C-N-CA 122.703 0.401 . . . . 1.4 111.559 -178.992 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 . . . . . 0 C--O 1.233 0.222 0 CA-C-O 121.081 0.467 . . . . 0.36 110.819 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 24.2 m -88.07 -32.41 18.76 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.593 -0.731 . . . . 1.31 111.763 -174.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -120.61 144.13 48.3 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.049 0.452 . . . . 2.55 111.162 179.565 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.441 ' HB3' ' CE2' ' A' ' 2' ' ' PHE . 18.1 p . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 115.154 -0.93 . . . . 1.27 111.152 -178.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 . . . . . 0 N--CA 1.454 -0.23 0 CA-C-O 120.807 0.337 . . . . 2.68 110.51 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.425 ' HB3' ' O ' ' A' ' 16' ' ' SER . 3.1 tm? -64.47 -56.57 13.34 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.029 -0.532 . . . . 0.86 110.635 -179.171 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.59 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.415 0 CA-C-O 120.914 0.387 . . . . 1.83 111.353 -177.495 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.506 ' O ' HG22 ' A' ' 25' ' ' THR . 52.1 t60 . . . . . 0 N--CA 1.45 -0.466 0 CA-C-O 119.781 -0.152 . . . . 0.21 111.307 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.59 ' HB2' ' O ' ' A' ' 20' ' ' GLN . 70.1 mmtt . . . . . 0 N--CA 1.471 0.578 0 CA-C-O 121.128 0.49 . . . . 1.01 110.39 -178.011 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.506 HG22 ' O ' ' A' ' 22' ' ' HIS . 10.3 t . . . . . 0 C--O 1.233 0.2 0 CA-C-O 120.646 0.26 . . . . 1.33 111.547 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 . . . . . 0 C--N 1.328 -0.355 0 N-CA-C 109.434 -0.58 . . . . 0.38 109.434 -179.974 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo . . . . . 0 N--CA 1.478 0.577 0 N-CA-C 110.343 -0.676 . . . . 1.31 110.343 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 . . . . . 0 C--N 1.323 -0.583 0 N-CA-C 109.816 -0.439 . . . . 0.41 109.816 -177.998 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.447 ' SG ' ' HB2' ' A' ' 6' ' ' TRP . 2.3 t . . . . . 0 CA--C 1.534 0.327 0 CA-C-O 120.683 0.277 . . . . 1.71 111.538 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 76.4 p 58.67 19.25 6.6 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.29 1.036 . . . . 1.47 113.097 176.054 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.447 ' HB2' ' SG ' ' A' ' 4' ' ' CYS . 8.5 t-105 . . . . . 0 C--N 1.327 -0.402 0 N-CA-C 109.602 -0.518 . . . . 0.94 109.602 177.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.464 0 CA-C-O 120.49 -0.061 . . . . 0.95 113.201 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 14.1 t -85.75 -60.43 2.02 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.732 0.266 . . . . 1.94 110.668 -177.372 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 61.25 65.13 3.47 Favored Glycine 0 C--N 1.33 0.226 0 C-N-CA 121.058 -0.591 . . . . 0.9 113.113 175.688 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 40.5 mmtm . . . . . 0 C--N 1.324 -0.501 0 O-C-N 122.834 -0.215 . . . . 1.4 110.583 -179.896 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 . . . . . 0 N--CA 1.454 -0.25 0 N-CA-C 109.706 -0.479 . . . . 0.36 109.706 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.0 t -99.33 -7.04 26.85 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 120.924 0.392 . . . . 1.31 110.539 179.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -123.08 126.48 47.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.056 -0.52 . . . . 2.55 110.609 177.024 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 58.4 p . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 115.619 -0.719 . . . . 1.27 110.517 -178.618 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 29.7 mm-40 . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 111.653 0.242 . . . . 2.68 111.653 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -64.07 -49.25 73.05 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.809 -0.441 . . . . 0.86 109.809 178.521 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 . . . . . 0 C--N 1.327 -0.394 0 CA-C-N 116.225 -0.443 . . . . 1.83 110.876 179.772 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 64.3 t60 . . . . . 0 N--CA 1.447 -0.617 0 N-CA-C 111.448 0.166 . . . . 0.21 111.448 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 32.6 mmtp . . . . . 0 C--O 1.235 0.323 0 CA-C-O 120.941 0.4 . . . . 1.01 110.83 -177.311 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 81.3 p . . . . . 0 N--CA 1.454 -0.24 0 N-CA-C 111.758 0.281 . . . . 1.33 111.758 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 . . . . . 0 CA--C 1.518 -0.283 0 CA-C-O 121.347 0.594 . . . . 0.38 109.9 -178.394 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo . . . . . 0 N--CA 1.481 0.75 0 N-CA-C 110.966 -0.436 . . . . 1.31 110.966 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 . . . . . 0 C--N 1.325 -0.487 0 N-CA-C 109.962 -0.384 . . . . 0.41 109.962 -178.671 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 50.2 t . . . . . 0 N--CA 1.445 -0.721 0 N-CA-C 109.854 -0.425 . . . . 1.71 109.854 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.7 m -92.95 42.97 1.11 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.522 0.677 . . . . 1.47 110.369 -179.046 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 30.6 t-105 . . . . . 0 C--N 1.327 -0.377 0 CA-C-N 115.411 -0.813 . . . . 0.94 109.81 178.406 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.386 0 N-CA-C 112.59 -0.204 . . . . 0.95 112.59 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 11.8 t -116.44 -176.49 2.97 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.87 0.366 . . . . 1.94 110.073 -178.627 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 161.32 55.02 0.02 OUTLIER Glycine 0 N--CA 1.445 -0.7 0 N-CA-C 111.488 -0.645 . . . . 0.9 111.488 -177.517 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp . . . . . 0 C--N 1.324 -0.501 0 N-CA-C 110.277 -0.268 . . . . 1.4 110.277 -178.098 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 80.0 m-85 . . . . . 0 N--CA 1.451 -0.396 0 N-CA-C 109.915 -0.402 . . . . 0.36 109.915 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.401 HG23 ' HG3' ' A' ' 15' ' ' ARG . 9.0 t -103.38 7.85 38.1 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.92 0.39 . . . . 1.31 110.917 178.837 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' A' ' 15' ' ' ARG . 62.3 mtt180 -138.34 121.84 17.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.24 -0.436 . . . . 2.55 110.203 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.433 ' O ' ' HB3' ' A' ' 19' ' ' LEU . 6.6 p . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 115.642 -0.708 . . . . 1.27 110.856 -178.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 . . . . . 0 CA--C 1.519 -0.249 0 CA-C-O 120.522 0.201 . . . . 2.68 110.87 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.433 ' HB3' ' O ' ' A' ' 16' ' ' SER . 3.1 tm? -61.02 -51.59 68.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.289 -0.414 . . . . 0.86 110.406 -178.429 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 56.6 tp60 . . . . . 0 C--N 1.326 -0.432 0 CA-C-O 120.839 0.352 . . . . 1.83 111.246 -178.64 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 25.2 t60 . . . . . 0 N--CA 1.447 -0.593 0 N-CA-C 111.399 0.148 . . . . 0.21 111.399 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.7 tppt? . . . . . 0 C--O 1.237 0.426 0 CA-C-O 121.03 0.443 . . . . 1.01 110.262 -176.451 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 69.5 m . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 111.955 0.354 . . . . 1.33 111.955 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 . . . . . 0 C--N 1.326 -0.441 0 CA-C-O 121.109 0.48 . . . . 0.38 110.145 -176.261 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo . . . . . 0 N--CA 1.477 0.551 0 N-CA-C 110.373 -0.664 . . . . 1.31 110.373 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 57.2 m-85 . . . . . 0 C--N 1.324 -0.515 0 N-CA-C 109.432 -0.581 . . . . 0.41 109.432 -179.263 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 43.2 t . . . . . 0 N--CA 1.45 -0.453 0 N-CA-C 109.905 -0.406 . . . . 1.71 109.905 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 39.8 p -94.21 38.84 1.08 Allowed 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.092 -0.503 . . . . 1.47 110.66 -178.251 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 42.4 t-105 . . . . . 0 C--N 1.327 -0.409 0 CA-C-N 115.533 -0.758 . . . . 0.94 109.795 178.07 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.393 0 N-CA-C 112.674 -0.17 . . . . 0.95 112.674 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 13.9 t -126.5 -177.93 4.17 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 110.027 -0.36 . . . . 1.94 110.027 -178.666 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 169.36 49.23 0.03 OUTLIER Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.95 -0.643 . . . . 0.9 112.509 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 47.4 mmtm . . . . . 0 C--N 1.325 -0.478 0 O-C-N 122.823 -0.222 . . . . 1.4 110.697 -178.526 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 73.1 m-85 . . . . . 0 C--O 1.234 0.255 0 N-CA-C 110.306 -0.257 . . . . 0.36 110.306 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 21.4 p -113.8 -21.1 10.85 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 111.964 0.357 . . . . 1.31 111.964 -178.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 87.3 mtt180 -120.05 138.25 53.63 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.148 0.499 . . . . 2.55 110.79 178.092 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 45.8 m . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 115.074 -0.966 . . . . 1.27 111.209 -178.804 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 . . . . . 0 N--CA 1.455 -0.178 0 CA-C-O 120.747 0.308 . . . . 2.68 110.85 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -62.47 -49.23 76.25 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.75 -0.659 . . . . 0.86 111.068 -174.57 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 . . . . . 0 C--N 1.324 -0.52 0 CA-C-N 116.423 -0.353 . . . . 1.83 111.619 -175.973 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.439 ' O ' HG22 ' A' ' 25' ' ' THR . 31.7 t60 . . . . . 0 N--CA 1.448 -0.562 0 CA-C-O 119.864 -0.112 . . . . 0.21 111.287 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.6 tppt? . . . . . 0 CA--C 1.516 -0.348 0 N-CA-C 109.468 -0.567 . . . . 1.01 109.468 -176.718 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.439 HG22 ' O ' ' A' ' 22' ' ' HIS . 14.5 t . . . . . 0 CA--C 1.53 0.209 0 N-CA-C 111.684 0.253 . . . . 1.33 111.684 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 83.2 m-70 . . . . . 0 C--N 1.327 -0.409 0 CA-C-O 121.265 0.555 . . . . 0.38 109.666 177.185 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo . . . . . 0 N--CA 1.478 0.564 0 N-CA-C 109.948 -0.828 . . . . 1.31 109.948 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 . . . . . 0 C--N 1.321 -0.633 0 N-CA-C 109.02 -0.733 . . . . 0.41 109.02 179.935 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 53.7 t . . . . . 0 N--CA 1.445 -0.724 0 N-CA-C 109.773 -0.454 . . . . 1.71 109.773 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.5 m -93.39 46.76 1.21 Allowed 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.505 0.669 . . . . 1.47 110.131 -176.641 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 32.2 t-105 . . . . . 0 C--N 1.326 -0.42 0 CA-C-N 115.464 -0.789 . . . . 0.94 109.443 179.576 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.431 0 N-CA-C 112.612 -0.195 . . . . 0.95 112.612 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 10.7 t -140.27 154.12 46.74 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.593 0.235 . . . . 1.94 110.548 -179.041 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -158.25 34.99 0.52 Allowed Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.912 -0.661 . . . . 0.9 111.709 178.282 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 46.9 mmtm . . . . . 0 C--N 1.325 -0.493 0 C-N-CA 121.975 0.11 . . . . 1.4 110.875 -176.985 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 . . . . . 0 N--CA 1.456 -0.171 0 N-CA-C 110.382 -0.229 . . . . 0.36 110.382 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.0 t -99.51 -0.91 39.67 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.009 0.433 . . . . 1.31 110.952 -179.232 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 78.5 mtt180 -130.56 127.08 38.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.847 0.356 . . . . 2.55 110.539 177.384 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 15.7 p . . . . . 0 C--N 1.332 -0.194 0 CA-C-N 115.524 -0.762 . . . . 1.27 110.687 -179.276 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 . . . . . 0 N--CA 1.454 -0.234 0 CA-C-O 120.514 0.197 . . . . 2.68 111.258 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.425 ' C ' HD13 ' A' ' 19' ' ' LEU . 3.0 tm? -64.48 -53.42 48.39 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.932 -0.396 . . . . 0.86 109.932 178.087 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 22.2 tp60 . . . . . 0 C--N 1.326 -0.444 0 CA-C-N 116.391 -0.368 . . . . 1.83 111.243 -178.495 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.477 ' O ' HG22 ' A' ' 25' ' ' THR . 32.5 t60 . . . . . 0 N--CA 1.448 -0.536 0 N-CA-C 111.585 0.217 . . . . 0.21 111.585 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.9 tppt? . . . . . 0 N--CA 1.468 0.427 0 O-C-N 123.669 0.605 . . . . 1.01 110.301 -174.063 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.477 HG22 ' O ' ' A' ' 22' ' ' HIS . 15.2 t . . . . . 0 CA--C 1.531 0.24 0 N-CA-C 111.945 0.35 . . . . 1.33 111.945 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 66.5 m-70 . . . . . 0 C--N 1.328 -0.334 0 CA-C-O 121.237 0.541 . . . . 0.38 109.846 179.936 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo . . . . . 0 N--CA 1.479 0.624 0 N-CA-C 111.235 -0.333 . . . . 1.31 111.235 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 . . . . . 0 C--N 1.328 -0.349 0 N-CA-C 110.031 -0.359 . . . . 0.41 110.031 -177.634 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 39.4 t . . . . . 0 N--CA 1.446 -0.627 0 N-CA-C 109.656 -0.498 . . . . 1.71 109.656 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.0 m -102.15 37.91 1.77 Allowed 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.413 0.625 . . . . 1.47 109.998 -178.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 43.4 t-105 . . . . . 0 N--CA 1.454 -0.248 0 CA-C-N 115.645 -0.707 . . . . 0.94 109.413 176.657 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.42 0 N-CA-C 112.653 -0.179 . . . . 0.95 112.653 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 10.0 t -116.54 -169.7 1.68 Allowed 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.637 -0.505 . . . . 1.94 109.637 -178.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 159.25 61.56 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 121.152 -0.546 . . . . 0.9 111.962 -178.395 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt . . . . . 0 C--N 1.327 -0.395 0 N-CA-C 110.312 -0.255 . . . . 1.4 110.312 -176.1 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 84.0 m-85 . . . . . 0 C--O 1.238 0.458 0 CA-C-O 121.264 0.554 . . . . 0.36 111.2 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 30.6 m -95.5 -29.18 14.52 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.163 -0.926 . . . . 1.31 110.983 -176.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 30.1 mmt180 -118.72 138.48 52.61 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.016 0.436 . . . . 2.55 110.711 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.419 ' O ' ' HB3' ' A' ' 19' ' ' LEU . 17.3 t . . . . . 0 C--N 1.332 -0.193 0 CA-C-N 115.583 -0.735 . . . . 1.27 110.408 -178.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 . . . . . 0 CA--C 1.519 -0.228 0 CA-C-O 120.786 0.327 . . . . 2.68 110.493 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.419 ' HB3' ' O ' ' A' ' 16' ' ' SER . 3.4 tm? -60.53 -55.24 35.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.979 -0.555 . . . . 0.86 110.32 -179.311 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.299 -0.41 . . . . 1.83 110.787 -178.41 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.488 ' O ' HG22 ' A' ' 25' ' ' THR . 25.2 t60 . . . . . 0 N--CA 1.445 -0.69 0 N-CA-C 110.648 -0.13 . . . . 0.21 110.648 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.4 tppp? . . . . . 0 CA--C 1.517 -0.3 0 CA-C-O 121.136 0.493 . . . . 1.01 109.744 -177.21 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.488 HG22 ' O ' ' A' ' 22' ' ' HIS . 15.4 t . . . . . 0 CA--C 1.535 0.374 0 N-CA-C 111.844 0.313 . . . . 1.33 111.844 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 85.8 m-70 . . . . . 0 CA--C 1.517 -0.299 0 CA-C-O 121.393 0.616 . . . . 0.38 109.803 -179.206 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_exo . . . . . 0 N--CA 1.473 0.319 0 N-CA-C 110.313 -0.687 . . . . 1.31 110.313 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 . . . . . 0 C--N 1.324 -0.508 0 N-CA-C 109.567 -0.531 . . . . 0.41 109.567 179.515 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 23.3 t . . . . . 0 CA--C 1.53 0.2 0 CA-C-O 120.667 0.27 . . . . 1.71 111.719 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 48.7 p 55.73 14.2 1.23 Allowed 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.205 1.002 . . . . 1.47 113.455 177.476 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 23.1 t-105 . . . . . 0 C--N 1.327 -0.371 0 N-CA-C 109.559 -0.534 . . . . 0.94 109.559 178.527 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.679 0 CA-C-O 120.5 -0.055 . . . . 0.95 112.968 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.431 ' SG ' ' HG2' ' A' ' 11' ' ' LYS . 35.4 t -92.68 -74.76 0.51 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.552 0.176 . . . . 1.94 110.806 -177.492 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 67.12 60.69 5.78 Favored Glycine 0 CA--C 1.519 0.303 0 C-N-CA 120.951 -0.642 . . . . 0.9 113.069 178.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.431 ' HG2' ' SG ' ' A' ' 9' ' ' CYS . 72.1 mmtt . . . . . 0 C--N 1.329 -0.317 0 O-C-N 122.804 -0.233 . . . . 1.4 110.444 177.383 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 83.4 m-85 . . . . . 0 CA--C 1.52 -0.21 0 N-CA-C 110.407 -0.22 . . . . 0.36 110.407 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 15.1 t -94.08 -2.3 53.06 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.156 0.503 . . . . 1.31 110.912 -179.025 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 60.8 mtt85 -136.59 131.53 33.9 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.114 -0.494 . . . . 2.55 110.188 177.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.489 ' O ' ' HB3' ' A' ' 19' ' ' LEU . 21.0 t . . . . . 0 C--N 1.326 -0.454 0 CA-C-N 115.664 -0.698 . . . . 1.27 110.131 -178.43 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 . . . . . 0 C--O 1.226 -0.143 0 N-CA-C 111.651 0.241 . . . . 2.68 111.651 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.489 ' HB3' ' O ' ' A' ' 16' ' ' SER . 61.2 tp -63.25 -51.43 66.21 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.55 -0.295 . . . . 0.86 111.171 -178.678 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 . . . . . 0 C--N 1.326 -0.456 0 CA-C-O 120.849 0.356 . . . . 1.83 111.107 -179.551 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 58.4 t60 . . . . . 0 N--CA 1.45 -0.456 0 N-CA-C 111.891 0.33 . . . . 0.21 111.891 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 16.3 tppt? . . . . . 0 C--O 1.239 0.506 0 CA-C-O 121.213 0.53 . . . . 1.01 109.948 -175.506 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 63.0 p . . . . . 0 N--CA 1.453 -0.302 0 CA-C-O 120.682 0.277 . . . . 1.33 111.381 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 87.3 m-70 . . . . . 0 C--N 1.328 -0.334 0 CA-C-O 121.495 0.664 . . . . 0.38 109.33 -178.597 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_exo . . . . . 0 N--CA 1.479 0.644 0 N-CA-C 110.502 -0.615 . . . . 1.31 110.502 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 58.3 m-85 -109.9 118.21 35.85 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.308 -0.627 . . . . 0.41 109.308 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' 9KK . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 44.7 t -74.73 104.16 5.28 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 115.352 -0.84 . . . . 1.71 110.017 177.037 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 13.5 p -93.87 47.64 1.23 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.186 -0.461 . . . . 1.47 111.133 -178.055 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 51.9 t-105 -87.81 148.05 24.86 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.119 -0.491 . . . . 0.94 109.891 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.529 0 O-C-N 123.664 0.602 . . . . 1.21 109.852 178.771 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 92.25 2.87 67.93 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.583 -0.818 . . . . 0.95 112.144 179.102 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 6.5 t -124.07 -179.08 4.28 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.635 -0.505 . . . . 1.94 109.635 -178.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 163.84 57.68 0.02 OUTLIER Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 121.028 -0.606 . . . . 0.9 111.936 -178.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.461 ' HA ' ' HC1' ' A' ' 12' ' ' MMO . 34.9 mmtp -103.49 145.94 29.26 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 110.108 -0.33 . . . . 1.4 110.108 -177.637 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' MMO . . . . . 0.461 ' HC1' ' HA ' ' A' ' 11' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -124.48 150.58 45.58 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.523 -0.762 . . . . 0.36 110.514 -175.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.8 t -93.23 -1.58 56.04 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.212 0.53 . . . . 1.31 110.648 -178.62 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -129.7 125.48 36.06 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.974 -0.557 . . . . 2.55 110.131 177.378 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 22.9 t -65.89 -33.3 75.51 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.701 -0.682 . . . . 1.27 109.79 -179.561 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' B3D . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 70.0 mm-40 -73.76 -34.04 64.54 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 115.201 -0.909 . . . . 2.68 111.593 -177.596 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -65.9 -52.35 50.77 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 110.009 -0.367 . . . . 0.86 110.009 178.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 23.9 tp60 -66.1 -52.28 50.11 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.511 -0.313 . . . . 1.83 111.143 -178.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' HMR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.564 ' O ' HG22 ' A' ' 25' ' ' THR . 25.7 t60 -78.57 -54.54 6.03 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 112.732 -2.031 . . . . 0.21 110.68 140.512 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 19.9 tptm -50.21 -44.3 53.1 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 121.246 0.546 . . . . 1.01 109.56 -175.178 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' HMR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.564 HG22 ' O ' ' A' ' 22' ' ' HIS . 10.1 t -81.41 -28.68 34.18 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 112.701 -2.045 . . . . 1.33 111.616 148.266 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 67.3 m-70 -93.39 -53.38 4.1 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.695 -0.483 . . . . 0.38 109.695 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' B3T . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 127.52 -60.39 0.66 Allowed Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.719 -0.753 . . . . 2.18 112.168 179.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -103.18 -32.12 9.78 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.079 0.466 . . . . 4.89 110.272 178.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 89.2 tttt -116.74 91.3 3.55 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.421 0.629 . . . . 4.54 110.369 -179.263 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.737 0 CA-C-N 116.019 -0.537 . . . . 3.54 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.475 0.427 0 N-CA-C 110.411 -0.65 . . . . 1.31 110.411 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -127.14 136.81 52.62 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.386 -0.598 . . . . 0.41 109.386 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' 9KK . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 50.6 t -81.24 92.25 6.31 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.795 -0.639 . . . . 1.71 109.885 174.543 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 13.4 p -88.31 50.08 1.91 Allowed 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.266 0.555 . . . . 1.47 111.031 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 32.7 t-105 -84.02 154.23 23.39 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.823 -0.626 . . . . 0.94 109.349 179.027 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 0.586 0 O-C-N 123.601 0.563 . . . . 1.21 109.934 177.425 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 87.79 17.37 58.28 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.877 -0.678 . . . . 0.95 112.626 177.065 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 7.9 t -131.6 160.03 36.52 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.827 -0.434 . . . . 1.94 109.827 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -172.46 57.97 0.16 Allowed Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.74 -0.743 . . . . 0.9 112.449 -179.627 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.551 ' HA ' ' HC1' ' A' ' 12' ' ' MMO . 30.0 mtpp -107.36 141.15 39.18 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 110.136 -0.32 . . . . 1.4 110.136 179.695 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' MMO . . . . . 0.551 ' HC1' ' HA ' ' A' ' 11' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 -127.96 146.51 50.63 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.025 -0.989 . . . . 0.36 109.551 -175.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.0 t -88.74 -6.57 57.33 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.822 0.344 . . . . 1.31 111.145 -176.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 62.6 mtm180 -124.13 128.14 48.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.933 0.397 . . . . 2.55 110.268 177.473 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 18.6 t -62.76 -39.29 93.69 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.304 -0.862 . . . . 1.27 110.575 -176.568 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' B3D . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -73.81 -35.91 64.93 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.322 -0.853 . . . . 2.68 111.376 -177.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -66.44 -56.21 12.04 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.603 -0.271 . . . . 0.86 110.6 -179.528 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -75.97 -39.7 55.41 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.729 0.3 . . . . 1.83 111.401 -176.084 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' HMR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.572 ' O ' HG22 ' A' ' 25' ' ' THR . 42.2 t60 -74.88 -53.98 8.08 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 112.995 -1.911 . . . . 0.21 111.364 142.339 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.4 tppt? -50.25 -42.24 51.63 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 121.435 0.636 . . . . 1.01 110.066 -176.138 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' HMR . . . . . 0.46 ' HG3' ' HC2' ' A' ' 24' ' ' HMR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.572 HG22 ' O ' ' A' ' 22' ' ' HIS . 14.8 t -85.18 -30.97 23.48 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 110.012 -3.267 . . . . 1.33 112.015 149.37 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 88.1 m-70 -90.39 -42.26 11.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.434 0.635 . . . . 0.38 109.425 178.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' B3T . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 80.11 -65.53 3.77 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 121.172 -0.537 . . . . 2.18 112.368 -178.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -72.54 -13.52 61.42 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.916 0.388 . . . . 4.89 111.177 -177.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -144.01 92.75 2.36 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.248 0.547 . . . . 4.54 109.971 179.078 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.687 0 CA-C-N 116.186 -0.461 . . . . 3.54 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 8.8 Cg_endo . . . . . 0 N--CA 1.477 0.543 0 N-CA-C 110.272 -0.703 . . . . 1.31 110.272 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -123.39 137.78 54.74 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.398 -0.593 . . . . 0.41 109.398 179.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' 9KK . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.6 t -56.19 -46.34 79.46 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.226 -0.897 . . . . 1.71 111.037 175.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.3 m 70.12 11.57 7.61 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 115.314 -0.857 . . . . 1.47 111.664 174.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 31.2 t-105 -79.75 135.65 36.56 Favored 'General case' 0 N--CA 1.45 -0.425 0 N-CA-C 109.053 -0.721 . . . . 0.94 109.053 174.396 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.588 0 O-C-N 123.834 0.709 . . . . 1.21 110.695 -173.667 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 82.86 6.92 87.96 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 121.074 -0.584 . . . . 0.95 113.49 174.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 19.2 t -87.66 -60.12 2.06 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 117.099 0.449 . . . . 1.94 110.474 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 66.87 65.24 2.87 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.816 -0.707 . . . . 0.9 112.588 177.516 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.503 ' HA ' ' HC1' ' A' ' 12' ' ' MMO . 42.9 mmtm -132.25 131.21 41.87 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 110.499 -0.186 . . . . 1.4 110.499 179.153 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' MMO . . . . . 0.503 ' HC1' ' HA ' ' A' ' 11' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 73.7 m-85 -125.17 151.14 46.19 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.657 -0.701 . . . . 0.36 110.136 -175.22 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 15.1 t -93.2 2.18 56.77 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.873 0.368 . . . . 1.31 111.113 -176.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 78.0 mtp180 -132.93 120.93 22.1 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.394 -0.366 . . . . 2.55 110.081 177.374 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 12.5 p -61.89 -35.91 79.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.448 -0.796 . . . . 1.27 110.976 -175.463 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' B3D . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -79.85 -25.75 40.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.138 -0.937 . . . . 2.68 111.198 -176.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -69.09 -52.72 25.51 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 110.023 -0.362 . . . . 0.86 110.023 177.319 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -69.33 -50.81 43.06 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.27 -0.423 . . . . 1.83 110.797 179.575 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' HMR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.467 ' O ' HG22 ' A' ' 25' ' ' THR . 43.3 t60 -74.9 -56.42 4.77 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.388 -0.824 . . . . 0.21 111.758 146.243 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.0 tppp? -50.42 -47.08 56.77 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 121.136 0.493 . . . . 1.01 109.895 -176.121 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' HMR . . . . . 0.489 ' HD3' ' N ' ' A' ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.467 HG22 ' O ' ' A' ' 22' ' ' HIS . 6.5 t -86.38 -25.52 25.29 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 111.141 -2.754 . . . . 1.33 111.489 148.409 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 93.2 m-70 -93.18 -55.87 3.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.259 0.552 . . . . 0.38 109.963 177.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' B3T . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 66.3 -98.62 0.39 Allowed Glycine 0 CA--C 1.518 0.27 0 C-N-CA 120.913 -0.661 . . . . 2.18 112.655 178.518 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 36.1 mm-40 -81.51 -29.78 33.49 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.027 0.442 . . . . 4.89 110.518 178.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -99.43 87.33 3.58 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.392 0.615 . . . . 4.54 110.722 -176.529 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' NH2 . . . . . 0.489 ' N ' ' HD3' ' A' ' 24' ' ' HMR . . . . . . . . 0 C--N 1.319 -0.755 0 CA-C-N 115.9 -0.591 . . . . 3.54 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_exo . . . . . 0 N--CA 1.48 0.699 0 N-CA-C 110.471 -0.627 . . . . 1.31 110.471 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.441 ' CE2' ' HB3' ' A' ' 16' ' ' SER . 98.3 m-85 -85.54 139.69 31.26 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.677 -0.49 . . . . 0.41 109.677 -179.181 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' 9KK . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.43 ' SG ' ' HB2' ' A' ' 6' ' ' TRP . 37.5 t -72.12 -57.85 3.92 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.522 -0.763 . . . . 1.71 109.207 172.714 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.1 m 56.18 39.95 30.18 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.586 0.708 . . . . 1.47 110.866 178.258 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.586 ' HB3' ' HB3' ' A' ' 9' ' ' CYS . 28.0 t-105 -90.6 161.63 15.34 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 107.882 -1.155 . . . . 0.94 107.882 173.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 0.674 0 N-CA-C 109.852 -0.425 . . . . 1.21 109.852 179.011 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 81.78 14.21 78.17 Favored Glycine 0 C--N 1.331 0.304 0 C-N-CA 121.114 -0.565 . . . . 0.95 113.273 177.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.586 ' HB3' ' HB3' ' A' ' 6' ' ' TRP . 49.8 t -143.49 89.91 2.12 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.828 0.347 . . . . 1.94 111.313 -176.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -99.24 43.83 1.78 Allowed Glycine 0 CA--C 1.517 0.177 0 C-N-CA 121.11 -0.567 . . . . 0.9 112.077 179.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.511 ' HA ' ' HC1' ' A' ' 12' ' ' MMO . 70.5 mmtt -64.26 146.96 53.48 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 122.703 0.401 . . . . 1.4 111.559 -178.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' MMO . . . . . 0.511 ' HC1' ' HA ' ' A' ' 11' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -135.87 164.14 28.63 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.685 -0.689 . . . . 0.36 110.819 -175.293 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 24.2 m -88.07 -32.41 18.76 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.593 -0.731 . . . . 1.31 111.763 -174.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -120.61 144.13 48.3 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.049 0.452 . . . . 2.55 111.162 179.565 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.441 ' HB3' ' CE2' ' A' ' 2' ' ' PHE . 18.1 p -65.59 -33.3 75.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.154 -0.93 . . . . 1.27 111.152 -178.634 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' B3D . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -64.86 -41.79 95.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.154 -0.93 . . . . 2.68 110.51 178.631 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.425 ' HB3' ' O ' ' A' ' 16' ' ' SER . 3.1 tm? -64.47 -56.57 13.34 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.029 -0.532 . . . . 0.86 110.635 -179.171 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.59 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 0.1 OUTLIER -63.89 -51.53 64.12 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.914 0.387 . . . . 1.83 111.353 -177.495 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' HMR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.506 ' O ' HG22 ' A' ' 25' ' ' THR . 52.1 t60 -78.26 -54.56 6.08 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 110.035 -3.257 . . . . 0.21 111.307 141.326 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.59 ' HB2' ' O ' ' A' ' 20' ' ' GLN . 70.1 mmtt -46.27 -48.29 18.04 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-O 121.128 0.49 . . . . 1.01 110.39 -178.011 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' HMR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.506 HG22 ' O ' ' A' ' 22' ' ' HIS . 10.3 t -81.05 -34.04 33.07 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 114.172 -1.376 . . . . 1.33 111.547 147.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -81.44 -49.17 10.96 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.434 -0.58 . . . . 0.38 109.434 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' B3T . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 82.47 -84.86 1.5 Allowed Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.587 -0.816 . . . . 2.18 112.242 -179.541 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -79.02 -42.23 27.01 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.877 0.37 . . . . 4.89 110.6 -177.163 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -93.56 92.84 7.76 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.202 0.525 . . . . 4.54 110.278 178.3 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.694 0 CA-C-N 116.053 -0.521 . . . . 3.54 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo . . . . . 0 N--CA 1.478 0.577 0 N-CA-C 110.343 -0.676 . . . . 1.31 110.343 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -107.03 135.47 48.53 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.816 -0.439 . . . . 0.41 109.816 -177.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' 9KK . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.447 ' SG ' ' HB2' ' A' ' 6' ' ' TRP . 2.3 t -60.79 -36.2 78.39 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.609 -0.723 . . . . 1.71 111.538 178.104 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 76.4 p 58.67 19.25 6.6 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.29 1.036 . . . . 1.47 113.097 176.054 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.447 ' HB2' ' SG ' ' A' ' 4' ' ' CYS . 8.5 t-105 -89.81 128.02 36.08 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.602 -0.518 . . . . 0.94 109.602 177.776 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 0.503 0 O-C-N 123.81 0.693 . . . . 1.21 110.261 -178.184 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 100.14 -13.86 60.08 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.883 -0.675 . . . . 0.95 113.201 175.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 14.1 t -85.75 -60.43 2.02 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.732 0.266 . . . . 1.94 110.668 -177.372 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 61.25 65.13 3.47 Favored Glycine 0 C--N 1.33 0.226 0 C-N-CA 121.058 -0.591 . . . . 0.9 113.113 175.688 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.535 ' HA ' ' HC1' ' A' ' 12' ' ' MMO . 40.5 mmtm -135.55 134.15 39.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 122.834 -0.215 . . . . 1.4 110.583 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' MMO . . . . . 0.535 ' HC1' ' HA ' ' A' ' 11' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 -138.76 155.6 48.06 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.053 -0.976 . . . . 0.36 109.706 -175.23 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.0 t -99.33 -7.04 26.85 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 120.924 0.392 . . . . 1.31 110.539 179.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -123.08 126.48 47.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.056 -0.52 . . . . 2.55 110.609 177.024 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 58.4 p -67.86 -36.69 80.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.619 -0.719 . . . . 1.27 110.517 -178.618 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' B3D . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 29.7 mm-40 -73.63 -35.62 65.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.161 -0.927 . . . . 2.68 111.653 -176.09 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -64.07 -49.25 73.05 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.809 -0.441 . . . . 0.86 109.809 178.521 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -66.44 -57.73 6.76 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.225 -0.443 . . . . 1.83 110.876 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' HMR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 64.3 t60 -83.8 -55.75 4.08 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 108.939 -3.755 . . . . 0.21 111.448 145.703 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 32.6 mmtp -51.2 -49.46 60.95 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 120.941 0.4 . . . . 1.01 110.83 -177.311 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' HMR . . . . . 0.427 ' HG3' ' HC2' ' A' ' 24' ' ' HMR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 81.3 p -90.26 -45.9 8.77 Favored 'General case' 0 C--N 1.328 -0.328 1 CA-C-N 106.379 -4.918 . . . . 1.33 111.758 149.3 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -75.14 -36.57 61.57 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-O 121.347 0.594 . . . . 0.38 109.9 -178.394 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' B3T . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 76.93 28.25 59.1 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.798 -0.715 . . . . 2.18 111.727 -178.455 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 54.94 57.82 5.3 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 121.058 0.456 . . . . 4.89 110.951 -178.418 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 47.6 mtmt -115.71 66.05 0.7 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.478 0.656 . . . . 4.54 109.936 178.474 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.722 0 CA-C-N 115.685 -0.689 . . . . 3.54 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo . . . . . 0 N--CA 1.481 0.75 0 N-CA-C 110.966 -0.436 . . . . 1.31 110.966 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -98.76 134.38 41.74 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.962 -0.384 . . . . 0.41 109.962 -178.671 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' 9KK . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 50.2 t -86.36 93.19 9.04 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.566 -0.743 . . . . 1.71 109.854 175.487 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.7 m -92.95 42.97 1.11 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.522 0.677 . . . . 1.47 110.369 -179.046 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 30.6 t-105 -68.04 159.04 31.6 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.411 -0.813 . . . . 0.94 109.81 178.406 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 0.563 0 O-C-N 123.479 0.487 . . . . 1.21 109.875 177.452 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 82.87 6.54 88.31 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 121.023 -0.608 . . . . 0.95 112.59 177.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 11.8 t -116.44 -176.49 2.97 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.87 0.366 . . . . 1.94 110.073 -178.627 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 161.32 55.02 0.02 OUTLIER Glycine 0 N--CA 1.445 -0.7 0 N-CA-C 111.488 -0.645 . . . . 0.9 111.488 -177.517 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.482 ' HA ' ' HC1' ' A' ' 12' ' ' MMO . 35.0 mmtp -107.99 141.96 38.86 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 110.277 -0.268 . . . . 1.4 110.277 -178.098 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' MMO . . . . . 0.482 ' HC1' ' HA ' ' A' ' 11' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 80.0 m-85 -130.98 153.23 49.44 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.162 -0.926 . . . . 0.36 109.915 -175.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.401 HG23 ' HG3' ' A' ' 15' ' ' ARG . 9.0 t -103.38 7.85 38.1 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.92 0.39 . . . . 1.31 110.917 178.837 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' A' ' 15' ' ' ARG . 62.3 mtt180 -138.34 121.84 17.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.24 -0.436 . . . . 2.55 110.203 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.433 ' O ' ' HB3' ' A' ' 19' ' ' LEU . 6.6 p -61.21 -37.59 83.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.642 -0.708 . . . . 1.27 110.856 -178.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' B3D . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -65.55 -42.63 91.65 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-N 115.227 -0.897 . . . . 2.68 110.87 178.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.433 ' HB3' ' O ' ' A' ' 16' ' ' SER . 3.1 tm? -61.02 -51.59 68.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.289 -0.414 . . . . 0.86 110.406 -178.429 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 56.6 tp60 -67.71 -56.49 9.1 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.839 0.352 . . . . 1.83 111.246 -178.64 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' HMR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 25.2 t60 -83.74 -46.16 12.56 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 112.507 -2.133 . . . . 0.21 111.399 145.081 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.7 tppt? -55.31 -44.51 75.85 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-O 121.03 0.443 . . . . 1.01 110.262 -176.451 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' HMR . . . . . 0.444 ' HG3' ' HC2' ' A' ' 24' ' ' HMR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 69.5 m -69.29 -47.56 64.2 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 109.906 -3.315 . . . . 1.33 111.955 148.122 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 -85.73 -33.92 21.35 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.109 0.48 . . . . 0.38 110.145 -176.261 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' B3T . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 75.46 -67.91 2.17 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 121.016 -0.611 . . . . 2.18 111.928 -177.434 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -79.05 77.35 5.53 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.066 0.46 . . . . 4.89 110.201 178.363 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 53.8 tptt -148.37 -71.3 0.21 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.903 -0.589 . . . . 4.54 109.81 -178.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.623 0 CA-C-N 116.491 -0.322 . . . . 3.54 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo . . . . . 0 N--CA 1.477 0.551 0 N-CA-C 110.373 -0.664 . . . . 1.31 110.373 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 57.2 m-85 -117.31 131.06 56.88 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.432 -0.581 . . . . 0.41 109.432 -179.263 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' 9KK . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 43.2 t -70.47 98.19 1.41 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.758 -0.655 . . . . 1.71 109.905 178.326 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 39.8 p -94.21 38.84 1.08 Allowed 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.092 -0.503 . . . . 1.47 110.66 -178.251 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 42.4 t-105 -64.4 152.45 41.4 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.533 -0.758 . . . . 0.94 109.795 178.07 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 0.463 0 O-C-N 123.682 0.614 . . . . 1.21 109.745 178.239 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 95.64 11.28 55.67 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.947 -0.644 . . . . 0.95 112.674 178.234 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 13.9 t -126.5 -177.93 4.17 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 110.027 -0.36 . . . . 1.94 110.027 -178.666 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 169.36 49.23 0.03 OUTLIER Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.95 -0.643 . . . . 0.9 112.509 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.494 ' HA ' ' HC1' ' A' ' 12' ' ' MMO . 47.4 mmtm -95.58 145.68 25.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 122.823 -0.222 . . . . 1.4 110.697 -178.526 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' MMO . . . . . 0.494 ' HC1' ' HA ' ' A' ' 11' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 73.1 m-85 -128.98 173.91 10.0 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.37 -0.832 . . . . 0.36 110.306 -175.39 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 21.4 p -113.8 -21.1 10.85 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 111.964 0.357 . . . . 1.31 111.964 -178.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 87.3 mtt180 -120.05 138.25 53.63 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.148 0.499 . . . . 2.55 110.79 178.092 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 45.8 m -63.64 -33.56 75.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.074 -0.966 . . . . 1.27 111.209 -178.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' B3D . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -61.46 -50.17 73.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.16 -0.927 . . . . 2.68 110.85 177.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -62.47 -49.23 76.25 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.75 -0.659 . . . . 0.86 111.068 -174.57 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -74.59 -51.51 14.36 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.423 -0.353 . . . . 1.83 111.619 -175.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' HMR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.439 ' O ' HG22 ' A' ' 25' ' ' THR . 31.7 t60 -88.39 -49.7 6.78 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 108.477 -3.965 . . . . 0.21 111.287 144.104 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.6 tppt? -50.0 -42.41 49.12 Favored 'General case' 0 CA--C 1.516 -0.348 0 N-CA-C 109.468 -0.567 . . . . 1.01 109.468 -176.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' HMR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.439 HG22 ' O ' ' A' ' 22' ' ' HIS . 14.5 t -90.66 -15.73 29.87 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 110.61 -2.996 . . . . 1.33 111.684 148.384 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 83.2 m-70 -104.58 -62.83 1.28 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.265 0.555 . . . . 0.38 109.666 177.185 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' B3T . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 69.99 173.6 12.1 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.971 -0.633 . . . . 2.18 112.145 -176.2 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 59.09 44.08 16.53 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 120.934 0.397 . . . . 4.89 111.133 176.427 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 56.5 pttt -147.97 65.07 1.1 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.643 0.735 . . . . 4.54 110.662 -179.374 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.732 0 CA-C-N 115.859 -0.61 . . . . 3.54 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo . . . . . 0 N--CA 1.478 0.564 0 N-CA-C 109.948 -0.828 . . . . 1.31 109.948 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -125.42 130.36 51.71 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.02 -0.733 . . . . 0.41 109.02 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' 9KK . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 53.7 t -67.85 95.77 0.54 Allowed 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.323 -0.853 . . . . 1.71 109.773 176.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.5 m -93.39 46.76 1.21 Allowed 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.505 0.669 . . . . 1.47 110.131 -176.641 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 32.2 t-105 -78.97 154.65 29.4 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.464 -0.789 . . . . 0.94 109.443 179.576 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 0.574 0 O-C-N 123.587 0.554 . . . . 1.21 109.553 177.132 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 90.37 19.71 44.45 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.838 -0.696 . . . . 0.95 112.612 178.16 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 10.7 t -140.27 154.12 46.74 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.593 0.235 . . . . 1.94 110.548 -179.041 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -158.25 34.99 0.52 Allowed Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.912 -0.661 . . . . 0.9 111.709 178.282 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.502 ' HA ' ' HC1' ' A' ' 12' ' ' MMO . 46.9 mmtm -73.68 136.67 43.8 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 121.975 0.11 . . . . 1.4 110.875 -176.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' MMO . . . . . 0.502 ' HC1' ' HA ' ' A' ' 11' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -135.21 156.95 48.12 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.535 -0.757 . . . . 0.36 110.382 -174.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.0 t -99.51 -0.91 39.67 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.009 0.433 . . . . 1.31 110.952 -179.232 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 78.5 mtt180 -130.56 127.08 38.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.847 0.356 . . . . 2.55 110.539 177.384 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 15.7 p -61.98 -39.82 93.51 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.524 -0.762 . . . . 1.27 110.687 -179.276 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' B3D . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -76.72 -33.35 58.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.156 -0.929 . . . . 2.68 111.258 -177.546 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.425 ' C ' HD13 ' A' ' 19' ' ' LEU . 3.0 tm? -64.48 -53.42 48.39 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.932 -0.396 . . . . 0.86 109.932 178.087 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 22.2 tp60 -70.39 -48.26 57.03 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.391 -0.368 . . . . 1.83 111.243 -178.495 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' HMR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.477 ' O ' HG22 ' A' ' 25' ' ' THR . 32.5 t60 -81.28 -55.0 5.01 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 113.149 -1.841 . . . . 0.21 111.585 144.397 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.9 tppt? -48.79 -44.24 38.77 Favored 'General case' 0 N--CA 1.468 0.427 0 O-C-N 123.669 0.605 . . . . 1.01 110.301 -174.063 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' HMR . . . . . 0.422 ' HG3' ' HC2' ' A' ' 24' ' ' HMR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.477 HG22 ' O ' ' A' ' 22' ' ' HIS . 15.2 t -83.57 -29.12 28.08 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 109.706 -3.406 . . . . 1.33 111.945 150.106 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 66.5 m-70 -98.81 -47.36 5.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.237 0.541 . . . . 0.38 109.846 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' B3T . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 96.21 -81.39 0.77 Allowed Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.688 -0.768 . . . . 2.18 111.767 -177.278 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -73.03 -50.25 24.12 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.98 0.419 . . . . 4.89 110.507 -179.444 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm -91.95 93.97 9.05 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.299 0.571 . . . . 4.54 110.136 179.437 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.717 0 CA-C-N 116.106 -0.497 . . . . 3.54 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo . . . . . 0 N--CA 1.479 0.624 0 N-CA-C 111.235 -0.333 . . . . 1.31 111.235 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -91.51 143.82 26.2 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 110.031 -0.359 . . . . 0.41 110.031 -177.634 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' 9KK . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 39.4 t -67.4 104.39 1.52 Allowed 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.471 -0.786 . . . . 1.71 109.656 175.091 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.0 m -102.15 37.91 1.77 Allowed 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.413 0.625 . . . . 1.47 109.998 -178.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 43.4 t-105 -64.29 148.98 49.05 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 115.645 -0.707 . . . . 0.94 109.413 176.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.548 0 O-C-N 123.624 0.577 . . . . 1.21 109.751 179.684 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 94.62 -1.96 66.77 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.866 -0.683 . . . . 0.95 112.653 178.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 10.0 t -116.54 -169.7 1.68 Allowed 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.637 -0.505 . . . . 1.94 109.637 -178.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 159.25 61.56 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 121.152 -0.546 . . . . 0.9 111.962 -178.395 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.518 ' HA ' ' HC1' ' A' ' 12' ' ' MMO . 75.8 mmtt -108.55 143.95 36.88 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 110.312 -0.255 . . . . 1.4 110.312 -176.1 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' MMO . . . . . 0.518 ' HC1' ' HA ' ' A' ' 11' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 84.0 m-85 -141.27 159.45 42.19 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-N 115.73 -0.668 . . . . 0.36 111.2 -171.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 30.6 m -95.5 -29.18 14.52 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.163 -0.926 . . . . 1.31 110.983 -176.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 30.1 mmt180 -118.72 138.48 52.61 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.016 0.436 . . . . 2.55 110.711 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.419 ' O ' ' HB3' ' A' ' 19' ' ' LEU . 17.3 t -66.85 -29.07 68.89 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.583 -0.735 . . . . 1.27 110.408 -178.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' B3D . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -67.46 -45.73 75.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.238 -0.892 . . . . 2.68 110.493 179.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.419 ' HB3' ' O ' ' A' ' 16' ' ' SER . 3.4 tm? -60.53 -55.24 35.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.979 -0.555 . . . . 0.86 110.32 -179.311 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -61.45 -57.03 13.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.299 -0.41 . . . . 1.83 110.787 -178.41 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' HMR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.488 ' O ' HG22 ' A' ' 25' ' ' THR . 25.2 t60 -90.2 -51.9 5.21 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 109.224 -3.625 . . . . 0.21 110.648 140.363 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.4 tppp? -49.96 -46.16 52.07 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-O 121.136 0.493 . . . . 1.01 109.744 -177.21 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' HMR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.488 HG22 ' O ' ' A' ' 22' ' ' HIS . 15.4 t -85.51 -35.48 21.13 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 111.517 -2.583 . . . . 1.33 111.844 148.653 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 85.8 m-70 -86.73 -45.97 10.45 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-O 121.393 0.616 . . . . 0.38 109.803 -179.206 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' B3T . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -68.91 -28.7 72.82 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.68 -0.772 . . . . 2.18 111.862 178.297 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -107.43 81.47 1.53 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.987 0.422 . . . . 4.89 110.141 179.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 62.5 tttm -135.27 79.11 1.77 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.593 0.711 . . . . 4.54 110.179 179.551 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.317 -0.823 0 CA-C-N 115.95 -0.568 . . . . 3.54 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_exo . . . . . 0 N--CA 1.473 0.319 0 N-CA-C 110.313 -0.687 . . . . 1.31 110.313 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -120.92 139.91 52.57 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.567 -0.531 . . . . 0.41 109.567 179.515 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' 9KK . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 23.3 t -60.96 -33.13 72.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.759 -0.655 . . . . 1.71 111.719 -179.649 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 48.7 p 55.73 14.2 1.23 Allowed 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.205 1.002 . . . . 1.47 113.455 177.476 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 23.1 t-105 -79.62 137.26 37.05 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.559 -0.534 . . . . 0.94 109.559 178.527 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 0.374 0 O-C-N 123.7 0.625 . . . . 1.21 110.351 -176.476 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 92.65 -3.87 75.27 Favored Glycine 0 N--CA 1.446 -0.679 0 C-N-CA 120.931 -0.652 . . . . 0.95 112.968 175.489 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.431 ' SG ' ' HG2' ' A' ' 11' ' ' LYS . 35.4 t -92.68 -74.76 0.51 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.552 0.176 . . . . 1.94 110.806 -177.492 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 67.12 60.69 5.78 Favored Glycine 0 CA--C 1.519 0.303 0 C-N-CA 120.951 -0.642 . . . . 0.9 113.069 178.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.494 ' HA ' ' HC1' ' A' ' 12' ' ' MMO . 72.1 mmtt -116.61 143.29 45.8 Favored 'General case' 0 C--N 1.329 -0.317 0 O-C-N 122.804 -0.233 . . . . 1.4 110.444 177.383 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' MMO . . . . . 0.494 ' HC1' ' HA ' ' A' ' 11' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 83.4 m-85 -133.3 152.36 51.92 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.423 -0.808 . . . . 0.36 110.407 -174.552 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 15.1 t -94.08 -2.3 53.06 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.156 0.503 . . . . 1.31 110.912 -179.025 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 60.8 mtt85 -136.59 131.53 33.9 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.114 -0.494 . . . . 2.55 110.188 177.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.489 ' O ' ' HB3' ' A' ' 19' ' ' LEU . 21.0 t -70.24 -33.15 71.29 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.664 -0.698 . . . . 1.27 110.131 -178.43 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' B3D . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 -62.54 -43.83 97.83 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.225 -0.898 . . . . 2.68 111.651 -179.309 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.489 ' HB3' ' O ' ' A' ' 16' ' ' SER . 61.2 tp -63.25 -51.43 66.21 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.55 -0.295 . . . . 0.86 111.171 -178.678 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -66.35 -61.51 1.97 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.849 0.356 . . . . 1.83 111.107 -179.551 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' HMR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 58.4 t60 -82.18 -53.16 6.3 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 113.066 -1.879 . . . . 0.21 111.891 146.285 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 16.3 tppt? -50.13 -44.86 52.62 Favored 'General case' 0 C--O 1.239 0.506 0 CA-C-O 121.213 0.53 . . . . 1.01 109.948 -175.506 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' HMR . . . . . 0.431 ' HG3' ' HC2' ' A' ' 24' ' ' HMR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 63.0 p -83.52 -48.97 9.71 Favored 'General case' 0 N--CA 1.453 -0.302 1 CA-C-N 105.878 -5.146 . . . . 1.33 111.381 148.801 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 87.3 m-70 -78.49 -37.12 44.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.495 0.664 . . . . 0.38 109.33 -178.597 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' B3T . . . . . 0.404 ' HAA' ' HG2' ' A' ' 24' ' ' HMR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 65.7 44.74 91.88 Favored Glycine 0 C--N 1.331 0.266 0 C-N-CA 120.947 -0.644 . . . . 2.18 113.038 177.542 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 57.71 53.53 7.08 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 121.461 0.648 . . . . 4.89 110.314 179.459 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -120.55 90.11 3.26 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.756 -0.656 . . . . 4.54 109.85 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.756 0 CA-C-N 115.967 -0.56 . . . . 3.54 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_