data_2li1_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 2li1 _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo . . . . . 0 N--CA 1.488 1.193 0 CA-C-O 120.809 0.254 . . . . 0.0 111.988 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 41.7 p -152.9 35.29 0.48 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.596 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.564 -179.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo . . . . . 0 N--CA 1.488 1.167 0 CA-C-O 120.785 0.244 . . . . 0.0 111.967 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 41.7 p -152.9 35.08 0.48 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.559 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.59 -179.537 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo . . . . . 0 N--CA 1.488 1.16 0 CA-C-O 120.811 0.255 . . . . 0.0 112.029 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 40.8 p -153.3 48.34 0.69 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.53 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.248 -179.42 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo . . . . . 0 N--CA 1.489 1.206 0 CA-C-O 120.782 0.243 . . . . 0.0 111.988 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.6 m -153.13 39.39 0.52 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.605 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.588 -179.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo . . . . . 0 N--CA 1.488 1.15 0 CA-C-O 120.748 0.228 . . . . 0.0 112.022 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -153.21 42.52 0.59 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.573 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.494 -179.432 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo . . . . . 0 N--CA 1.488 1.187 0 CA-C-O 120.78 0.242 . . . . 0.0 111.989 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.7 m -153.19 35.34 0.47 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.52 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.548 -179.596 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . 0.502 ' C ' ' HG1' ' A' ' 3' ' ' THR . 2.9 Cg_endo . . . . . 0 N--CA 1.487 1.128 0 CA-C-O 120.844 0.268 . . . . 0.0 111.944 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.502 ' HG1' ' C ' ' A' ' 2' ' ' PRO . 2.9 m -153.58 49.58 0.68 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.58 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.658 -179.471 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo . . . . . 0 N--CA 1.487 1.134 0 CA-C-O 120.769 0.237 . . . . 0.0 112.027 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -153.23 45.22 0.65 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.61 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.2 p . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.525 -179.464 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo . . . . . 0 N--CA 1.487 1.111 0 CA-C-O 120.856 0.273 . . . . 0.0 111.967 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.6 m -153.18 40.26 0.53 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.559 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.567 -179.591 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo . . . . . 0 N--CA 1.488 1.202 0 CA-C-O 120.799 0.249 . . . . 0.0 111.979 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 41.8 p -152.89 35.17 0.48 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.553 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.613 -179.597 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo . . . . . 0 N--CA 1.486 1.088 0 CA-C-O 120.745 0.227 . . . . 0.0 111.972 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 41.8 p -152.95 35.05 0.48 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.557 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.589 -179.539 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo . . . . . 0 N--CA 1.487 1.095 0 CA-C-O 120.769 0.237 . . . . 0.0 111.976 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 41.5 p -152.88 35.16 0.48 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.539 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.562 -179.558 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo . . . . . 0 N--CA 1.488 1.167 0 CA-C-O 120.756 0.232 . . . . 0.0 111.961 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.4 m -153.21 39.98 0.53 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.607 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.632 -179.555 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo . . . . . 0 N--CA 1.488 1.161 0 CA-C-O 120.808 0.253 . . . . 0.0 111.982 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -153.16 39.66 0.52 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.531 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.583 -179.56 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo . . . . . 0 N--CA 1.488 1.178 0 CA-C-O 120.779 0.241 . . . . 0.0 112.007 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.9 m -153.21 41.58 0.56 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.557 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.586 -179.577 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo . . . . . 0 N--CA 1.489 1.209 0 CA-C-O 120.81 0.254 . . . . 0.0 111.966 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -153.14 39.68 0.52 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.583 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.532 -179.527 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo . . . . . 0 N--CA 1.487 1.131 0 CA-C-O 120.814 0.256 . . . . 0.0 112.007 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 41.2 p -153.08 46.21 0.68 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.58 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.576 -179.559 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo . . . . . 0 N--CA 1.487 1.089 0 CA-C-O 120.836 0.265 . . . . 0.0 112.024 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -153.06 35.82 0.48 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.576 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.6 -179.598 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo . . . . . 0 N--CA 1.488 1.161 0 CA-C-O 120.811 0.255 . . . . 0.0 112.008 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -153.16 38.46 0.5 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.695 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.631 -179.659 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo . . . . . 0 N--CA 1.488 1.167 0 CA-C-O 120.837 0.265 . . . . 0.0 111.921 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 41.7 p -152.92 38.17 0.51 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.573 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.546 -179.523 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo . . . . . 0 N--CA 1.488 1.147 0 CA-C-O 120.76 0.233 . . . . 0.0 112.034 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.2 m -153.15 35.26 0.47 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.614 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.572 -179.584 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo . . . . . 0 N--CA 1.487 1.093 0 CA-C-O 120.902 0.292 . . . . 0.0 112.029 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -153.21 40.9 0.54 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.541 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.538 -179.559 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo . . . . . 0 N--CA 1.488 1.156 0 CA-C-O 120.825 0.26 . . . . 0.0 111.926 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 41.7 p -152.91 35.14 0.48 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.545 179.981 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.607 -179.648 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo . . . . . 0 N--CA 1.488 1.184 0 CA-C-O 120.769 0.237 . . . . 0.0 111.944 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.473 ' CG2' ' O ' ' A' ' 3' ' ' THR . 89.8 m -153.22 40.21 0.53 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.534 179.954 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.567 -179.599 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo . . . . . 0 N--CA 1.488 1.17 0 CA-C-O 120.796 0.248 . . . . 0.0 112.003 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 41.7 p -152.81 39.88 0.55 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.534 -179.931 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.581 -179.518 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo . . . . . 0 N--CA 1.487 1.137 0 CA-C-O 120.702 0.209 . . . . 0.0 112.055 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.8 m -153.15 36.25 0.48 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.497 -179.952 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.554 -179.576 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo . . . . . 0 N--CA 1.487 1.144 0 CA-C-O 120.863 0.276 . . . . 0.0 112.031 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 41.8 p -152.93 38.92 0.52 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.525 -179.931 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.6 -179.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.122 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.58 101.24 0.04 OUTLIER 'Trans proline' 0 C--N 1.305 -1.742 0 C-N-CA 123.017 2.478 . . . . 0.0 111.988 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 41.7 p -152.9 35.29 0.48 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.596 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -95.36 -175.45 3.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.564 -179.527 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -154.21 158.89 32.43 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.564 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.62 101.78 0.04 OUTLIER 'Trans proline' 0 C--N 1.305 -1.711 0 C-N-CA 123.013 2.475 . . . . 0.0 112.019 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.4 mt -75.59 104.62 6.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.585 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.4 mtpm? -156.49 -73.86 0.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.577 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.371 0 O-C-N 120.176 -1.577 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.109 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.6 100.79 0.04 OUTLIER 'Trans proline' 0 C--N 1.305 -1.745 0 C-N-CA 123.042 2.495 . . . . 0.0 111.967 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 41.7 p -152.9 35.08 0.48 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.559 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -95.36 148.56 22.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.59 -179.537 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.408 ' O ' ' N ' ' A' ' 7' ' ' LEU . 0.2 OUTLIER -85.71 158.44 56.71 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.589 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.53 90.44 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.755 0 C-N-CA 122.988 2.458 . . . . 0.0 112.034 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.408 ' N ' ' O ' ' A' ' 5' ' ' THR . 2.1 pp -164.66 163.34 21.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.511 179.63 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.9 ptpt -156.49 -140.91 0.09 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.556 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.35 0 O-C-N 120.071 -1.643 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.129 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.45 100.19 0.04 OUTLIER 'Trans proline' 0 C--N 1.305 -1.741 0 C-N-CA 123.041 2.494 . . . . 0.0 112.029 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 40.8 p -153.3 48.34 0.69 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.53 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.15 12.84 27.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.248 -179.42 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.454 ' O ' ' N ' ' A' ' 7' ' ' LEU . 2.7 m -85.58 134.99 38.87 Favored Pre-proline 0 C--N 1.329 -0.284 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 -179.661 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -38.16 91.75 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 122.658 2.239 . . . . 0.0 111.744 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.454 ' N ' ' O ' ' A' ' 5' ' ' THR . 8.2 tp -163.82 113.75 1.28 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.391 -179.608 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.405 ' O ' ' CG ' ' A' ' 8' ' ' LYS . 1.2 ptpt -83.53 119.31 24.54 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.467 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.307 -1.28 0 O-C-N 120.021 -1.674 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.111 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.55 172.67 0.02 OUTLIER 'Trans proline' 0 C--N 1.304 -1.801 0 C-N-CA 123.06 2.507 . . . . 0.0 111.988 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.6 m -153.13 39.39 0.52 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.605 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -95.22 150.32 20.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.588 -179.548 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.467 ' O ' ' CG2' ' A' ' 5' ' ' THR . 12.9 t -154.38 64.93 4.76 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.533 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.66 162.44 0.07 OUTLIER 'Trans proline' 0 C--N 1.304 -1.773 0 C-N-CA 123.027 2.485 . . . . 0.0 111.975 -179.245 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -164.28 -176.94 4.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.575 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 25.5 pttt -156.57 2.57 0.14 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.552 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.374 0 O-C-N 120.097 -1.627 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.078 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.5 124.41 5.29 Favored 'Trans proline' 0 C--N 1.306 -1.707 0 C-N-CA 123.031 2.488 . . . . 0.0 112.022 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -153.21 42.52 0.59 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.573 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -95.15 158.05 15.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.494 -179.432 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -154.41 73.33 6.11 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.532 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.44 119.58 5.58 Favored 'Trans proline' 0 C--N 1.305 -1.758 0 C-N-CA 123.045 2.497 . . . . 0.0 112.038 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.9 pp -164.42 131.17 3.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.577 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.0 mptt -83.52 -128.4 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.564 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.335 0 O-C-N 120.123 -1.61 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.104 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.53 102.78 0.04 OUTLIER 'Trans proline' 0 C--N 1.304 -1.779 0 C-N-CA 123.024 2.483 . . . . 0.0 111.989 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.7 m -153.19 35.34 0.47 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.52 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -95.39 151.06 19.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.548 -179.596 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.477 ' O ' ' N ' ' A' ' 7' ' ' LEU . 0.5 OUTLIER -85.65 158.53 56.78 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.573 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.63 86.55 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.727 0 C-N-CA 123.09 2.527 . . . . 0.0 111.946 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.477 ' N ' ' O ' ' A' ' 5' ' ' THR . 11.0 tp -76.27 110.48 10.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.594 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 21.2 pttt -156.46 19.32 0.34 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.513 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.367 0 O-C-N 120.156 -1.59 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.12 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.502 ' C ' ' HG1' ' A' ' 3' ' ' THR . 2.9 Cg_endo -44.65 168.38 0.03 OUTLIER 'Trans proline' 0 C--N 1.305 -1.758 0 C-N-CA 123.058 2.505 . . . . 0.0 111.944 . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.502 ' HG1' ' C ' ' A' ' 2' ' ' PRO . 2.9 m -153.58 49.58 0.68 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.58 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -95.07 12.48 28.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.658 -179.471 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 18.8 m -85.58 131.46 47.58 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.513 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.74 105.72 0.07 OUTLIER 'Trans proline' 0 C--N 1.306 -1.703 0 C-N-CA 123.021 2.48 . . . . 0.0 111.95 -179.473 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.9 mt -163.33 116.8 1.57 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.537 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.48 68.67 0.6 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.547 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.367 0 O-C-N 120.218 -1.551 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.127 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.55 -175.68 2.57 Favored 'Trans proline' 0 C--N 1.304 -1.79 0 C-N-CA 123.036 2.491 . . . . 0.0 112.027 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -153.23 45.22 0.65 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.61 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.2 p -95.08 153.1 17.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.525 -179.464 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.2 m -154.4 66.81 5.4 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.578 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.67 165.65 0.04 OUTLIER 'Trans proline' 0 C--N 1.305 -1.722 0 C-N-CA 123.043 2.495 . . . . 0.0 112.002 -179.501 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -163.52 145.45 9.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.577 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.52 -173.1 4.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.53 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.365 0 O-C-N 120.164 -1.585 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . 0.427 ' C ' ' H ' ' A' ' 3' ' ' THR . . . . . . . . 0 C--O 1.23 0.077 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.58 29.78 0.38 Allowed 'Trans proline' 0 C--N 1.306 -1.678 0 C-N-CA 123.046 2.497 . . . . 0.0 111.967 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.427 ' H ' ' C ' ' A' ' 1' ' ' ACE . 3.6 m -153.18 40.26 0.53 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.559 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -95.3 -175.36 3.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.567 -179.591 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.681 ' O ' ' N ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -154.3 151.62 24.56 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.563 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.501 ' C ' ' H ' ' A' ' 8' ' ' LYS . 2.8 Cg_endo -44.64 74.06 0.01 OUTLIER 'Trans proline' 0 C--N 1.306 -1.696 0 C-N-CA 122.977 2.451 . . . . 0.0 111.978 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.681 ' N ' ' O ' ' A' ' 5' ' ' THR . 0.9 OUTLIER -76.33 24.52 0.14 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.619 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.501 ' H ' ' C ' ' A' ' 6' ' ' PRO . 25.3 ttpt -83.47 -59.19 2.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.575 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.332 0 O-C-N 120.146 -1.596 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.089 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.46 105.15 2.03 Favored 'Trans proline' 0 C--N 1.304 -1.767 0 C-N-CA 123.01 2.474 . . . . 0.0 111.979 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 41.8 p -152.89 35.17 0.48 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.553 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -95.4 149.69 21.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.613 -179.597 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.607 ' HG1' ' N ' ' A' ' 6' ' ' PRO . 0.5 OUTLIER -85.7 159.43 55.2 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.496 -179.912 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.607 ' N ' ' HG1' ' A' ' 5' ' ' THR . 2.8 Cg_endo -44.52 131.39 9.58 Favored 'Trans proline' 0 C--N 1.305 -1.713 0 C-N-CA 122.993 2.462 . . . . 0.0 112.045 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.9 mt -163.21 97.35 0.9 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.575 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.55 -164.36 1.64 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.57 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.377 0 O-C-N 120.162 -1.586 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.109 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.56 100.06 0.04 OUTLIER 'Trans proline' 0 C--N 1.304 -1.784 0 C-N-CA 123.065 2.51 . . . . 0.0 111.972 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 41.8 p -152.95 35.05 0.48 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.557 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -95.38 -175.27 3.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.589 -179.539 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -154.16 158.9 32.45 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.599 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.67 103.26 0.05 OUTLIER 'Trans proline' 0 C--N 1.305 -1.738 0 C-N-CA 122.989 2.459 . . . . 0.0 111.962 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.1 mt -163.4 -174.03 3.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.552 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.6 mmmt -83.57 -87.75 0.1 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.591 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.372 0 O-C-N 120.097 -1.627 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.086 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.61 100.09 0.04 OUTLIER 'Trans proline' 0 C--N 1.306 -1.679 0 C-N-CA 123.084 2.523 . . . . 0.0 111.976 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 41.5 p -152.88 35.16 0.48 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.539 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -95.38 -175.24 3.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.562 -179.558 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.641 ' HG1' ' N ' ' A' ' 6' ' ' PRO . 0.5 OUTLIER -154.27 158.3 32.37 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.54 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.641 ' N ' ' HG1' ' A' ' 5' ' ' THR . 2.8 Cg_endo -44.68 86.4 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.745 0 C-N-CA 123.032 2.488 . . . . 0.0 111.963 -179.871 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.477 ' N ' ' O ' ' A' ' 5' ' ' THR . 11.0 tp -76.21 110.48 10.75 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.602 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.51 151.23 25.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.498 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.343 0 O-C-N 120.153 -1.592 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . 0.421 ' C ' ' H ' ' A' ' 3' ' ' THR . . . . . . . . 0 C--O 1.231 0.116 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.57 29.81 0.37 Allowed 'Trans proline' 0 C--N 1.305 -1.747 0 C-N-CA 123.002 2.468 . . . . 0.0 111.961 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.421 ' H ' ' C ' ' A' ' 1' ' ' ACE . 1.4 m -153.21 39.98 0.53 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.607 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -95.24 -175.26 3.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.632 -179.555 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.431 ' O ' ' CD2' ' A' ' 7' ' ' LEU . 2.1 t -154.36 145.46 16.41 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.579 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.59 103.02 0.04 OUTLIER 'Trans proline' 0 C--N 1.306 -1.704 0 C-N-CA 123.061 2.507 . . . . 0.0 112.034 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.431 ' CD2' ' O ' ' A' ' 5' ' ' THR . 3.1 mm? -74.77 86.07 2.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.535 179.795 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.1 mmtt -83.58 -95.46 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.55 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.375 0 O-C-N 120.162 -1.586 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.087 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.59 172.28 16.61 Favored 'Trans proline' 0 C--N 1.305 -1.718 0 C-N-CA 122.938 2.425 . . . . 0.0 111.982 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -153.16 39.66 0.52 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.531 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -95.28 149.7 21.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.583 -179.56 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 18.7 m -85.65 131.37 47.72 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.602 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.55 103.77 0.05 OUTLIER 'Trans proline' 0 C--N 1.306 -1.658 0 C-N-CA 123.041 2.494 . . . . 0.0 111.974 -179.474 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.9 mt -163.22 97.82 0.91 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.553 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.2 pttp -156.45 26.3 0.34 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.62 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.392 0 O-C-N 120.184 -1.573 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.071 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.62 168.74 0.03 OUTLIER 'Trans proline' 0 C--N 1.306 -1.703 0 C-N-CA 122.998 2.465 . . . . 0.0 112.007 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.9 m -153.21 41.58 0.56 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.557 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -95.2 146.27 24.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.586 -179.577 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -85.82 159.14 55.43 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.514 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.64 98.23 0.03 OUTLIER 'Trans proline' 0 C--N 1.305 -1.729 0 C-N-CA 122.957 2.438 . . . . 0.0 112.015 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.7 mt -75.73 178.95 5.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.574 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 31.1 tttt -83.55 -67.01 0.82 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.543 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.328 0 O-C-N 120.171 -1.58 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.113 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.63 172.0 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.756 0 C-N-CA 123.002 2.468 . . . . 0.0 111.966 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -153.14 39.68 0.52 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.583 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -95.3 149.83 20.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.532 -179.527 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -85.61 159.61 55.1 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.518 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.509 ' C ' ' H ' ' A' ' 8' ' ' LYS . 2.9 Cg_endo -44.75 100.32 0.04 OUTLIER 'Trans proline' 0 C--N 1.306 -1.689 0 C-N-CA 122.994 2.463 . . . . 0.0 111.988 -179.793 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -75.67 22.48 0.13 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.502 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.509 ' H ' ' C ' ' A' ' 6' ' ' PRO . 0.8 OUTLIER -156.53 -17.25 0.1 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.536 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.356 0 O-C-N 120.113 -1.617 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.095 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.6 -171.0 0.91 Allowed 'Trans proline' 0 C--N 1.306 -1.686 0 C-N-CA 122.992 2.461 . . . . 0.0 112.007 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 41.2 p -153.08 46.21 0.68 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.58 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -95.02 -175.31 3.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.576 -179.559 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -154.17 158.87 32.44 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.601 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.68 118.99 2.07 Favored 'Trans proline' 0 C--N 1.305 -1.717 0 C-N-CA 123.061 2.507 . . . . 0.0 111.932 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.1 mt -163.28 -174.02 3.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.602 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.1 mmtt -83.54 -25.14 31.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.554 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.327 0 O-C-N 120.183 -1.573 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.112 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.53 100.14 1.34 Allowed 'Trans proline' 0 C--N 1.305 -1.72 0 C-N-CA 123.035 2.49 . . . . 0.0 112.024 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -153.06 35.82 0.48 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.576 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -95.36 147.2 23.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.6 -179.598 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -85.82 159.27 55.17 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.527 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.68 98.02 0.03 OUTLIER 'Trans proline' 0 C--N 1.305 -1.713 0 C-N-CA 123.08 2.52 . . . . 0.0 111.963 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.0 mt -75.77 129.24 36.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.573 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.4 mttt -83.48 -172.53 4.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.606 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.342 0 O-C-N 120.079 -1.638 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.026 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.46 100.38 1.36 Allowed 'Trans proline' 0 C--N 1.304 -1.78 0 C-N-CA 123.059 2.506 . . . . 0.0 112.008 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -153.16 38.46 0.5 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.695 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -95.17 149.16 21.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.631 -179.659 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -85.68 159.53 55.05 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.567 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.6 102.15 0.04 OUTLIER 'Trans proline' 0 C--N 1.305 -1.742 0 C-N-CA 123.022 2.482 . . . . 0.0 112.03 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -75.6 134.36 40.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.564 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -156.48 20.16 0.34 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.558 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.398 0 O-C-N 120.143 -1.598 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . 0.416 ' O ' ' O ' ' A' ' 2' ' ' PRO . . . . . . . . 0 C--O 1.231 0.1 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.416 ' O ' ' O ' ' A' ' 1' ' ' ACE . 2.8 Cg_endo -44.55 174.94 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.715 0 C-N-CA 123.057 2.505 . . . . 0.0 111.921 . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 41.7 p -152.92 38.17 0.51 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.573 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -95.32 -175.02 3.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.546 -179.523 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -154.16 158.88 32.45 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.555 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.57 107.98 0.12 Allowed 'Trans proline' 0 C--N 1.305 -1.757 0 C-N-CA 123.016 2.477 . . . . 0.0 111.967 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.7 mt -75.75 174.11 10.24 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.522 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -83.47 174.88 10.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.565 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.34 0 O-C-N 120.163 -1.585 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.093 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.58 102.52 0.04 OUTLIER 'Trans proline' 0 C--N 1.305 -1.716 0 C-N-CA 122.969 2.446 . . . . 0.0 112.034 . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.2 m -153.15 35.26 0.47 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.614 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -95.39 10.29 36.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.572 -179.584 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 15.9 m -154.35 66.33 5.26 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.625 179.996 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.513 ' C ' ' H ' ' A' ' 8' ' ' LYS . 2.9 Cg_endo -44.57 116.23 1.04 Allowed 'Trans proline' 0 C--N 1.306 -1.695 0 C-N-CA 123.056 2.504 . . . . 0.0 111.963 -179.467 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 48.2 mt -75.73 26.69 0.11 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.531 179.976 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.513 ' H ' ' C ' ' A' ' 6' ' ' PRO . 0.9 OUTLIER -83.53 175.01 10.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.617 179.966 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.349 0 O-C-N 120.115 -1.616 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . 0.436 ' C ' ' H ' ' A' ' 3' ' ' THR . . . . . . . . 0 C--O 1.231 0.1 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.51 27.57 0.38 Allowed 'Trans proline' 0 C--N 1.305 -1.741 0 C-N-CA 123.11 2.54 . . . . 0.0 112.029 . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.436 ' H ' ' C ' ' A' ' 1' ' ' ACE . 0.2 OUTLIER -153.21 40.9 0.54 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.541 179.99 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -95.22 152.93 17.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.538 -179.559 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 17.3 m -154.37 66.81 5.42 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.55 -179.99 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.54 103.26 0.05 OUTLIER 'Trans proline' 0 C--N 1.305 -1.712 0 C-N-CA 123.037 2.492 . . . . 0.0 111.997 -179.538 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.8 tp -76.11 110.68 10.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.519 -179.982 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.545 ' CB ' ' HZ3' ' A' ' 8' ' ' LYS . 2.8 ttmp? -156.51 -31.77 0.09 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.536 179.975 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.383 0 O-C-N 120.147 -1.595 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.114 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.61 100.4 0.04 OUTLIER 'Trans proline' 0 C--N 1.305 -1.746 0 C-N-CA 123.051 2.501 . . . . 0.0 111.926 . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 41.7 p -152.91 35.14 0.48 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.545 179.981 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -95.33 148.81 22.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.607 -179.648 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 18.8 m -85.7 131.36 47.64 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.526 -179.984 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.6 134.93 9.73 Favored 'Trans proline' 0 C--N 1.306 -1.697 0 C-N-CA 122.969 2.446 . . . . 0.0 112.014 -179.535 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.9 mt -163.31 94.93 0.82 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.526 -179.916 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.2 ttpt -156.55 -71.08 0.1 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.565 179.963 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.391 0 O-C-N 120.162 -1.586 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . 0.431 ' C ' ' H ' ' A' ' 3' ' ' THR . . . . . . . . 0 C--O 1.231 0.119 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.5 28.99 0.37 Allowed 'Trans proline' 0 C--N 1.305 -1.753 0 C-N-CA 123.063 2.509 . . . . 0.0 111.944 . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.473 ' CG2' ' O ' ' A' ' 3' ' ' THR . 89.8 m -153.22 40.21 0.53 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.534 179.954 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -95.27 152.6 18.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.567 -179.599 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.5 m -154.35 66.68 5.38 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.566 -179.994 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.63 103.81 0.05 OUTLIER 'Trans proline' 0 C--N 1.305 -1.761 0 C-N-CA 122.994 2.462 . . . . 0.0 112.005 -179.546 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.0 pp -164.17 153.21 13.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.545 179.83 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.3 tptm -156.5 51.65 0.51 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.575 -179.954 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.34 0 O-C-N 120.088 -1.633 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . 0.427 ' C ' ' H ' ' A' ' 3' ' ' THR . . . . . . . . 0 C--O 1.231 0.112 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.49 29.68 0.37 Allowed 'Trans proline' 0 C--N 1.305 -1.756 0 C-N-CA 123.011 2.474 . . . . 0.0 112.003 . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.427 ' H ' ' C ' ' A' ' 1' ' ' ACE . 41.7 p -152.81 39.88 0.55 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.534 -179.931 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -95.19 -175.28 3.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.581 -179.518 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -154.42 154.06 28.94 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.545 179.981 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.55 146.6 2.05 Favored 'Trans proline' 0 C--N 1.304 -1.806 0 C-N-CA 123.062 2.508 . . . . 0.0 111.958 -179.631 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.9 mt -163.33 21.45 0.08 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.603 -179.924 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -83.61 127.01 33.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.544 -179.957 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.326 0 O-C-N 120.105 -1.622 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.071 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.6 132.92 10.04 Favored 'Trans proline' 0 C--N 1.306 -1.692 0 C-N-CA 123.009 2.472 . . . . 0.0 112.055 . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.8 m -153.15 36.25 0.48 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.497 -179.952 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -95.4 147.0 23.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.554 -179.576 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.587 ' HG1' ' N ' ' A' ' 6' ' ' PRO . 0.5 OUTLIER -85.92 158.94 55.5 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.598 -179.961 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.587 ' N ' ' HG1' ' A' ' 5' ' ' THR . 2.8 Cg_endo -44.47 96.24 0.03 OUTLIER 'Trans proline' 0 C--N 1.305 -1.746 0 C-N-CA 123.079 2.52 . . . . 0.0 111.976 -179.829 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.7 mt -75.79 160.68 29.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.515 179.963 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -156.51 138.98 14.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.572 179.949 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.344 0 O-C-N 120.205 -1.559 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . 0.417 ' C ' ' H ' ' A' ' 3' ' ' THR . . . . . . . . 0 C--O 1.232 0.138 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.47 29.43 0.37 Allowed 'Trans proline' 0 C--N 1.304 -1.765 0 C-N-CA 122.969 2.446 . . . . 0.0 112.031 . . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.417 ' H ' ' C ' ' A' ' 1' ' ' ACE . 41.8 p -152.93 38.92 0.52 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.525 -179.931 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -95.27 149.39 21.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.6 -179.56 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -85.61 154.1 58.8 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.546 179.982 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.65 168.55 0.03 OUTLIER 'Trans proline' 0 C--N 1.305 -1.731 0 C-N-CA 123.046 2.497 . . . . 0.0 111.957 -179.694 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.8 tp -163.77 114.52 1.34 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.579 -179.96 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 24.8 tttm -83.5 -77.31 0.25 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.6 179.949 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.319 0 O-C-N 120.096 -1.627 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo . . . . . 0 N--CA 1.488 1.193 0 CA-C-O 120.809 0.254 . . . . 0.0 111.988 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 41.7 p -152.9 35.29 0.48 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.596 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.564 -179.527 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo . . . . . 0 N--CA 1.488 1.167 0 CA-C-O 120.785 0.244 . . . . 0.0 111.967 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 41.7 p -152.9 35.08 0.48 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.559 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.59 -179.537 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo . . . . . 0 N--CA 1.488 1.16 0 CA-C-O 120.811 0.255 . . . . 0.0 112.029 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 40.8 p -153.3 48.34 0.69 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.53 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.248 -179.42 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo . . . . . 0 N--CA 1.489 1.206 0 CA-C-O 120.782 0.243 . . . . 0.0 111.988 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.6 m -153.13 39.39 0.52 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.605 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.588 -179.548 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo . . . . . 0 N--CA 1.488 1.15 0 CA-C-O 120.748 0.228 . . . . 0.0 112.022 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -153.21 42.52 0.59 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.573 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.494 -179.432 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo . . . . . 0 N--CA 1.488 1.187 0 CA-C-O 120.78 0.242 . . . . 0.0 111.989 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.7 m -153.19 35.34 0.47 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.52 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.548 -179.596 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo . . . . . 0 N--CA 1.487 1.128 0 CA-C-O 120.844 0.268 . . . . 0.0 111.944 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.9 m -153.58 49.58 0.68 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.58 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.658 -179.471 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo . . . . . 0 N--CA 1.487 1.134 0 CA-C-O 120.769 0.237 . . . . 0.0 112.027 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -153.23 45.22 0.65 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.61 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.2 p . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.525 -179.464 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo . . . . . 0 N--CA 1.487 1.111 0 CA-C-O 120.856 0.273 . . . . 0.0 111.967 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.6 m -153.18 40.26 0.53 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.559 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.567 -179.591 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo . . . . . 0 N--CA 1.488 1.202 0 CA-C-O 120.799 0.249 . . . . 0.0 111.979 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 41.8 p -152.89 35.17 0.48 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.553 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.613 -179.597 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo . . . . . 0 N--CA 1.486 1.088 0 CA-C-O 120.745 0.227 . . . . 0.0 111.972 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 41.8 p -152.95 35.05 0.48 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.557 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.589 -179.539 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo . . . . . 0 N--CA 1.487 1.095 0 CA-C-O 120.769 0.237 . . . . 0.0 111.976 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 41.5 p -152.88 35.16 0.48 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.539 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.562 -179.558 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo . . . . . 0 N--CA 1.488 1.167 0 CA-C-O 120.756 0.232 . . . . 0.0 111.961 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.4 m -153.21 39.98 0.53 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.607 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.632 -179.555 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo . . . . . 0 N--CA 1.488 1.161 0 CA-C-O 120.808 0.253 . . . . 0.0 111.982 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -153.16 39.66 0.52 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.531 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.583 -179.56 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo . . . . . 0 N--CA 1.488 1.178 0 CA-C-O 120.779 0.241 . . . . 0.0 112.007 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.9 m -153.21 41.58 0.56 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.557 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.586 -179.577 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo . . . . . 0 N--CA 1.489 1.209 0 CA-C-O 120.81 0.254 . . . . 0.0 111.966 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -153.14 39.68 0.52 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.583 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.532 -179.527 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo . . . . . 0 N--CA 1.487 1.131 0 CA-C-O 120.814 0.256 . . . . 0.0 112.007 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 41.2 p -153.08 46.21 0.68 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.58 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.576 -179.559 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo . . . . . 0 N--CA 1.487 1.089 0 CA-C-O 120.836 0.265 . . . . 0.0 112.024 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -153.06 35.82 0.48 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.576 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.6 -179.598 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo . . . . . 0 N--CA 1.488 1.161 0 CA-C-O 120.811 0.255 . . . . 0.0 112.008 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -153.16 38.46 0.5 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.695 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.631 -179.659 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo . . . . . 0 N--CA 1.488 1.167 0 CA-C-O 120.837 0.265 . . . . 0.0 111.921 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 41.7 p -152.92 38.17 0.51 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.573 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.546 -179.523 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo . . . . . 0 N--CA 1.488 1.147 0 CA-C-O 120.76 0.233 . . . . 0.0 112.034 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.2 m -153.15 35.26 0.47 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.614 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.572 -179.584 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo . . . . . 0 N--CA 1.487 1.093 0 CA-C-O 120.902 0.292 . . . . 0.0 112.029 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -153.21 40.9 0.54 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.541 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.538 -179.559 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo . . . . . 0 N--CA 1.488 1.156 0 CA-C-O 120.825 0.26 . . . . 0.0 111.926 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 41.7 p -152.91 35.14 0.48 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.545 179.981 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.607 -179.648 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo . . . . . 0 N--CA 1.488 1.184 0 CA-C-O 120.769 0.237 . . . . 0.0 111.944 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.709 ' O ' HG22 ' A' ' 3' ' ' THR . 89.8 m -153.22 40.21 0.53 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.534 179.954 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.567 -179.599 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo . . . . . 0 N--CA 1.488 1.17 0 CA-C-O 120.796 0.248 . . . . 0.0 112.003 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 41.7 p -152.81 39.88 0.55 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.534 -179.931 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.581 -179.518 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo . . . . . 0 N--CA 1.487 1.137 0 CA-C-O 120.702 0.209 . . . . 0.0 112.055 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.8 m -153.15 36.25 0.48 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.497 -179.952 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.554 -179.576 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo . . . . . 0 N--CA 1.487 1.144 0 CA-C-O 120.863 0.276 . . . . 0.0 112.031 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 41.8 p -152.93 38.92 0.52 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.525 -179.931 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.6 -179.56 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.122 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.58 101.24 0.04 OUTLIER 'Trans proline' 0 C--N 1.305 -1.742 0 C-N-CA 123.017 2.478 . . . . 0.0 111.988 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 41.7 p -152.9 35.29 0.48 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.596 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -95.36 -175.45 3.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.564 -179.527 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -154.21 158.89 32.43 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.564 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.62 101.78 0.04 OUTLIER 'Trans proline' 0 C--N 1.305 -1.711 0 C-N-CA 123.013 2.475 . . . . 0.0 112.019 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.4 mt -75.59 104.62 6.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.585 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.4 mtpm? -156.49 -73.86 0.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.577 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.371 0 O-C-N 120.176 -1.577 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.109 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.6 100.79 0.04 OUTLIER 'Trans proline' 0 C--N 1.305 -1.745 0 C-N-CA 123.042 2.495 . . . . 0.0 111.967 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 41.7 p -152.9 35.08 0.48 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.559 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -95.36 148.56 22.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.59 -179.537 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.408 ' O ' ' N ' ' A' ' 7' ' ' LEU . 0.2 OUTLIER -85.71 158.44 56.71 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.589 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.53 90.44 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.755 0 C-N-CA 122.988 2.458 . . . . 0.0 112.034 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.408 ' N ' ' O ' ' A' ' 5' ' ' THR . 2.1 pp -164.66 163.34 21.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.511 179.63 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.9 ptpt -156.49 -140.91 0.09 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.556 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.35 0 O-C-N 120.071 -1.643 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.129 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.45 100.19 0.04 OUTLIER 'Trans proline' 0 C--N 1.305 -1.741 0 C-N-CA 123.041 2.494 . . . . 0.0 112.029 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 40.8 p -153.3 48.34 0.69 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.53 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.15 12.84 27.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.248 -179.42 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.454 ' O ' ' N ' ' A' ' 7' ' ' LEU . 2.7 m -85.58 134.99 38.87 Favored Pre-proline 0 C--N 1.329 -0.284 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 -179.661 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -38.16 91.75 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 122.658 2.239 . . . . 0.0 111.744 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.454 ' N ' ' O ' ' A' ' 5' ' ' THR . 8.2 tp -163.82 113.75 1.28 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.391 -179.608 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.453 ' N ' HD12 ' A' ' 7' ' ' LEU . 1.2 ptpt -83.53 119.31 24.54 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.467 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.307 -1.28 0 O-C-N 120.021 -1.674 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.111 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.55 172.67 0.02 OUTLIER 'Trans proline' 0 C--N 1.304 -1.801 0 C-N-CA 123.06 2.507 . . . . 0.0 111.988 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.6 m -153.13 39.39 0.52 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.605 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -95.22 150.32 20.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.588 -179.548 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.727 HG23 ' O ' ' A' ' 5' ' ' THR . 12.9 t -154.38 64.93 4.76 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.533 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.66 162.44 0.07 OUTLIER 'Trans proline' 0 C--N 1.304 -1.773 0 C-N-CA 123.027 2.485 . . . . 0.0 111.975 -179.245 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.437 ' C ' HD12 ' A' ' 7' ' ' LEU . 0.3 OUTLIER -164.28 -176.94 4.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.575 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 25.5 pttt -156.57 2.57 0.14 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.552 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.374 0 O-C-N 120.097 -1.627 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.078 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.5 124.41 5.29 Favored 'Trans proline' 0 C--N 1.306 -1.707 0 C-N-CA 123.031 2.488 . . . . 0.0 112.022 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -153.21 42.52 0.59 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.573 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -95.15 158.05 15.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.494 -179.432 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -154.41 73.33 6.11 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.532 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.44 119.58 5.58 Favored 'Trans proline' 0 C--N 1.305 -1.758 0 C-N-CA 123.045 2.497 . . . . 0.0 112.038 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.9 pp -164.42 131.17 3.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.577 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.0 mptt -83.52 -128.4 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.564 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.335 0 O-C-N 120.123 -1.61 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.104 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.53 102.78 0.04 OUTLIER 'Trans proline' 0 C--N 1.304 -1.779 0 C-N-CA 123.024 2.483 . . . . 0.0 111.989 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.7 m -153.19 35.34 0.47 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.52 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -95.39 151.06 19.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.548 -179.596 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.477 ' O ' ' N ' ' A' ' 7' ' ' LEU . 0.5 OUTLIER -85.65 158.53 56.78 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.573 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.63 86.55 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.727 0 C-N-CA 123.09 2.527 . . . . 0.0 111.946 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.477 ' N ' ' O ' ' A' ' 5' ' ' THR . 11.0 tp -76.27 110.48 10.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.594 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 21.2 pttt -156.46 19.32 0.34 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.513 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.367 0 O-C-N 120.156 -1.59 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.12 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.65 168.38 0.03 OUTLIER 'Trans proline' 0 C--N 1.305 -1.758 0 C-N-CA 123.058 2.505 . . . . 0.0 111.944 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.9 m -153.58 49.58 0.68 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.58 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -95.07 12.48 28.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.658 -179.471 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 18.8 m -85.58 131.46 47.58 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.513 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.74 105.72 0.07 OUTLIER 'Trans proline' 0 C--N 1.306 -1.703 0 C-N-CA 123.021 2.48 . . . . 0.0 111.95 -179.473 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.9 mt -163.33 116.8 1.57 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.537 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.48 68.67 0.6 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.547 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.367 0 O-C-N 120.218 -1.551 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.127 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.55 -175.68 2.57 Favored 'Trans proline' 0 C--N 1.304 -1.79 0 C-N-CA 123.036 2.491 . . . . 0.0 112.027 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -153.23 45.22 0.65 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.61 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.2 p -95.08 153.1 17.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.525 -179.464 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.2 m -154.4 66.81 5.4 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.578 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.67 165.65 0.04 OUTLIER 'Trans proline' 0 C--N 1.305 -1.722 0 C-N-CA 123.043 2.495 . . . . 0.0 112.002 -179.501 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -163.52 145.45 9.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.577 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.52 -173.1 4.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.53 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.365 0 O-C-N 120.164 -1.585 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.077 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.58 29.78 0.38 Allowed 'Trans proline' 0 C--N 1.306 -1.678 0 C-N-CA 123.046 2.497 . . . . 0.0 111.967 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.6 m -153.18 40.26 0.53 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.559 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -95.3 -175.36 3.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.567 -179.591 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.681 ' O ' ' N ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -154.3 151.62 24.56 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.563 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.458 ' C ' ' H ' ' A' ' 8' ' ' LYS . 2.8 Cg_endo -44.64 74.06 0.01 OUTLIER 'Trans proline' 0 C--N 1.306 -1.696 0 C-N-CA 122.977 2.451 . . . . 0.0 111.978 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.681 ' N ' ' O ' ' A' ' 5' ' ' THR . 0.9 OUTLIER -76.33 24.52 0.14 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.619 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.458 ' H ' ' C ' ' A' ' 6' ' ' PRO . 25.3 ttpt -83.47 -59.19 2.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.575 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.332 0 O-C-N 120.146 -1.596 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.089 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.46 105.15 2.03 Favored 'Trans proline' 0 C--N 1.304 -1.767 0 C-N-CA 123.01 2.474 . . . . 0.0 111.979 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 41.8 p -152.89 35.17 0.48 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.553 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -95.4 149.69 21.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.613 -179.597 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -85.7 159.43 55.2 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.496 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.52 131.39 9.58 Favored 'Trans proline' 0 C--N 1.305 -1.713 0 C-N-CA 122.993 2.462 . . . . 0.0 112.045 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.9 mt -163.21 97.35 0.9 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.575 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.55 -164.36 1.64 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.57 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.377 0 O-C-N 120.162 -1.586 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.109 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.56 100.06 0.04 OUTLIER 'Trans proline' 0 C--N 1.304 -1.784 0 C-N-CA 123.065 2.51 . . . . 0.0 111.972 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 41.8 p -152.95 35.05 0.48 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.557 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -95.38 -175.27 3.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.589 -179.539 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -154.16 158.9 32.45 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.599 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.67 103.26 0.05 OUTLIER 'Trans proline' 0 C--N 1.305 -1.738 0 C-N-CA 122.989 2.459 . . . . 0.0 111.962 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.1 mt -163.4 -174.03 3.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.552 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.6 mmmt -83.57 -87.75 0.1 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.591 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.372 0 O-C-N 120.097 -1.627 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.086 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.61 100.09 0.04 OUTLIER 'Trans proline' 0 C--N 1.306 -1.679 0 C-N-CA 123.084 2.523 . . . . 0.0 111.976 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 41.5 p -152.88 35.16 0.48 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.539 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -95.38 -175.24 3.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.562 -179.558 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.477 ' O ' ' N ' ' A' ' 7' ' ' LEU . 0.5 OUTLIER -154.27 158.3 32.37 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.54 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.68 86.4 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.745 0 C-N-CA 123.032 2.488 . . . . 0.0 111.963 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.477 ' N ' ' O ' ' A' ' 5' ' ' THR . 11.0 tp -76.21 110.48 10.75 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.602 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.51 151.23 25.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.498 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.343 0 O-C-N 120.153 -1.592 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.116 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.57 29.81 0.37 Allowed 'Trans proline' 0 C--N 1.305 -1.747 0 C-N-CA 123.002 2.468 . . . . 0.0 111.961 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.4 m -153.21 39.98 0.53 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.607 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -95.24 -175.26 3.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.632 -179.555 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.446 ' O ' HD22 ' A' ' 7' ' ' LEU . 2.1 t -154.36 145.46 16.41 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.579 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.59 103.02 0.04 OUTLIER 'Trans proline' 0 C--N 1.306 -1.704 0 C-N-CA 123.061 2.507 . . . . 0.0 112.034 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.45 HD13 ' HA ' ' A' ' 7' ' ' LEU . 3.1 mm? -74.77 86.07 2.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.535 179.795 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.1 mmtt -83.58 -95.46 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.55 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.375 0 O-C-N 120.162 -1.586 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.087 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.59 172.28 16.61 Favored 'Trans proline' 0 C--N 1.305 -1.718 0 C-N-CA 122.938 2.425 . . . . 0.0 111.982 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -153.16 39.66 0.52 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.531 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -95.28 149.7 21.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.583 -179.56 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 18.7 m -85.65 131.37 47.72 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.602 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.55 103.77 0.05 OUTLIER 'Trans proline' 0 C--N 1.306 -1.658 0 C-N-CA 123.041 2.494 . . . . 0.0 111.974 -179.474 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.9 mt -163.22 97.82 0.91 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.553 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.2 pttp -156.45 26.3 0.34 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.62 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.392 0 O-C-N 120.184 -1.573 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.071 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.62 168.74 0.03 OUTLIER 'Trans proline' 0 C--N 1.306 -1.703 0 C-N-CA 122.998 2.465 . . . . 0.0 112.007 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.9 m -153.21 41.58 0.56 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.557 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -95.2 146.27 24.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.586 -179.577 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -85.82 159.14 55.43 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.514 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.64 98.23 0.03 OUTLIER 'Trans proline' 0 C--N 1.305 -1.729 0 C-N-CA 122.957 2.438 . . . . 0.0 112.015 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.7 mt -75.73 178.95 5.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.574 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 31.1 tttt -83.55 -67.01 0.82 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.543 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.328 0 O-C-N 120.171 -1.58 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.113 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.63 172.0 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.756 0 C-N-CA 123.002 2.468 . . . . 0.0 111.966 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -153.14 39.68 0.52 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.583 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -95.3 149.83 20.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.532 -179.527 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -85.61 159.61 55.1 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.518 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.474 ' C ' ' H ' ' A' ' 8' ' ' LYS . 2.9 Cg_endo -44.75 100.32 0.04 OUTLIER 'Trans proline' 0 C--N 1.306 -1.689 0 C-N-CA 122.994 2.463 . . . . 0.0 111.988 -179.793 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -75.67 22.48 0.13 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.502 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.474 ' H ' ' C ' ' A' ' 6' ' ' PRO . 0.8 OUTLIER -156.53 -17.25 0.1 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.536 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.356 0 O-C-N 120.113 -1.617 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.095 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.6 -171.0 0.91 Allowed 'Trans proline' 0 C--N 1.306 -1.686 0 C-N-CA 122.992 2.461 . . . . 0.0 112.007 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 41.2 p -153.08 46.21 0.68 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.58 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -95.02 -175.31 3.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.576 -179.559 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -154.17 158.87 32.44 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.601 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.68 118.99 2.07 Favored 'Trans proline' 0 C--N 1.305 -1.717 0 C-N-CA 123.061 2.507 . . . . 0.0 111.932 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.1 mt -163.28 -174.02 3.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.602 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.1 mmtt -83.54 -25.14 31.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.554 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.327 0 O-C-N 120.183 -1.573 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.112 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.53 100.14 1.34 Allowed 'Trans proline' 0 C--N 1.305 -1.72 0 C-N-CA 123.035 2.49 . . . . 0.0 112.024 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -153.06 35.82 0.48 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.576 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -95.36 147.2 23.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.6 -179.598 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -85.82 159.27 55.17 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.527 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.68 98.02 0.03 OUTLIER 'Trans proline' 0 C--N 1.305 -1.713 0 C-N-CA 123.08 2.52 . . . . 0.0 111.963 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.0 mt -75.77 129.24 36.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.573 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.4 mttt -83.48 -172.53 4.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.606 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.342 0 O-C-N 120.079 -1.638 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.026 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.46 100.38 1.36 Allowed 'Trans proline' 0 C--N 1.304 -1.78 0 C-N-CA 123.059 2.506 . . . . 0.0 112.008 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -153.16 38.46 0.5 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.695 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -95.17 149.16 21.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.631 -179.659 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -85.68 159.53 55.05 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.567 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.6 102.15 0.04 OUTLIER 'Trans proline' 0 C--N 1.305 -1.742 0 C-N-CA 123.022 2.482 . . . . 0.0 112.03 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -75.6 134.36 40.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.564 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -156.48 20.16 0.34 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.558 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.398 0 O-C-N 120.143 -1.598 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ACE . . . . . 0.416 ' O ' ' O ' ' A' ' 2' ' ' PRO . . . . . . . . 0 C--O 1.231 0.1 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.416 ' O ' ' O ' ' A' ' 1' ' ' ACE . 2.8 Cg_endo -44.55 174.94 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.715 0 C-N-CA 123.057 2.505 . . . . 0.0 111.921 . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 41.7 p -152.92 38.17 0.51 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.573 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -95.32 -175.02 3.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.546 -179.523 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -154.16 158.88 32.45 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.555 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.57 107.98 0.12 Allowed 'Trans proline' 0 C--N 1.305 -1.757 0 C-N-CA 123.016 2.477 . . . . 0.0 111.967 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.7 mt -75.75 174.11 10.24 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.522 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -83.47 174.88 10.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.565 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.34 0 O-C-N 120.163 -1.585 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.093 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.43 ' HB2' ' H8B' ' A' ' 10' ' ' A2G . 2.8 Cg_endo -44.58 102.52 0.04 OUTLIER 'Trans proline' 0 C--N 1.305 -1.716 0 C-N-CA 122.969 2.446 . . . . 0.0 112.034 . . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.2 m -153.15 35.26 0.47 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.614 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -95.39 10.29 36.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.572 -179.584 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 15.9 m -154.35 66.33 5.26 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.625 179.996 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.476 ' C ' ' H ' ' A' ' 8' ' ' LYS . 2.9 Cg_endo -44.57 116.23 1.04 Allowed 'Trans proline' 0 C--N 1.306 -1.695 0 C-N-CA 123.056 2.504 . . . . 0.0 111.963 -179.467 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 48.2 mt -75.73 26.69 0.11 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.531 179.976 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.476 ' H ' ' C ' ' A' ' 6' ' ' PRO . 0.9 OUTLIER -83.53 175.01 10.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.617 179.966 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.349 0 O-C-N 120.115 -1.616 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 10' ' ' A2G . . . . . 0.43 ' H8B' ' HB2' ' A' ' 2' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.1 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.51 27.57 0.38 Allowed 'Trans proline' 0 C--N 1.305 -1.741 0 C-N-CA 123.11 2.54 . . . . 0.0 112.029 . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -153.21 40.9 0.54 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.541 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -95.22 152.93 17.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.538 -179.559 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 17.3 m -154.37 66.81 5.42 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.55 -179.99 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.54 103.26 0.05 OUTLIER 'Trans proline' 0 C--N 1.305 -1.712 0 C-N-CA 123.037 2.492 . . . . 0.0 111.997 -179.538 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.8 tp -76.11 110.68 10.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.519 -179.982 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.8 ttmp? -156.51 -31.77 0.09 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.536 179.975 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.383 0 O-C-N 120.147 -1.595 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.114 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.61 100.4 0.04 OUTLIER 'Trans proline' 0 C--N 1.305 -1.746 0 C-N-CA 123.051 2.501 . . . . 0.0 111.926 . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 41.7 p -152.91 35.14 0.48 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.545 179.981 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -95.33 148.81 22.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.607 -179.648 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 18.8 m -85.7 131.36 47.64 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.526 -179.984 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.6 134.93 9.73 Favored 'Trans proline' 0 C--N 1.306 -1.697 0 C-N-CA 122.969 2.446 . . . . 0.0 112.014 -179.535 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.9 mt -163.31 94.93 0.82 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.526 -179.916 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.2 ttpt -156.55 -71.08 0.1 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.565 179.963 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.391 0 O-C-N 120.162 -1.586 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.119 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.5 28.99 0.37 Allowed 'Trans proline' 0 C--N 1.305 -1.753 0 C-N-CA 123.063 2.509 . . . . 0.0 111.944 . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.709 ' O ' HG22 ' A' ' 3' ' ' THR . 89.8 m -153.22 40.21 0.53 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.534 179.954 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -95.27 152.6 18.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.567 -179.599 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.5 m -154.35 66.68 5.38 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.566 -179.994 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.63 103.81 0.05 OUTLIER 'Trans proline' 0 C--N 1.305 -1.761 0 C-N-CA 122.994 2.462 . . . . 0.0 112.005 -179.546 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.485 ' C ' HD12 ' A' ' 7' ' ' LEU . 2.0 pp -164.17 153.21 13.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.545 179.83 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.3 tptm -156.5 51.65 0.51 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.575 -179.954 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.34 0 O-C-N 120.088 -1.633 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.112 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.49 29.68 0.37 Allowed 'Trans proline' 0 C--N 1.305 -1.756 0 C-N-CA 123.011 2.474 . . . . 0.0 112.003 . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 41.7 p -152.81 39.88 0.55 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.534 -179.931 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -95.19 -175.28 3.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.581 -179.518 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -154.42 154.06 28.94 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.545 179.981 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.55 146.6 2.05 Favored 'Trans proline' 0 C--N 1.304 -1.806 0 C-N-CA 123.062 2.508 . . . . 0.0 111.958 -179.631 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.9 mt -163.33 21.45 0.08 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.603 -179.924 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -83.61 127.01 33.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.544 -179.957 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.326 0 O-C-N 120.105 -1.622 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.071 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.6 132.92 10.04 Favored 'Trans proline' 0 C--N 1.306 -1.692 0 C-N-CA 123.009 2.472 . . . . 0.0 112.055 . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.8 m -153.15 36.25 0.48 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.497 -179.952 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -95.4 147.0 23.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.554 -179.576 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -85.92 158.94 55.5 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.598 -179.961 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.47 96.24 0.03 OUTLIER 'Trans proline' 0 C--N 1.305 -1.746 0 C-N-CA 123.079 2.52 . . . . 0.0 111.976 -179.829 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.7 mt -75.79 160.68 29.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.515 179.963 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -156.51 138.98 14.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.572 179.949 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.344 0 O-C-N 120.205 -1.559 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.138 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.47 29.43 0.37 Allowed 'Trans proline' 0 C--N 1.304 -1.765 0 C-N-CA 122.969 2.446 . . . . 0.0 112.031 . . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 41.8 p -152.93 38.92 0.52 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.525 -179.931 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -95.27 149.39 21.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.6 -179.56 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -85.61 154.1 58.8 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.546 179.982 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.65 168.55 0.03 OUTLIER 'Trans proline' 0 C--N 1.305 -1.731 0 C-N-CA 123.046 2.497 . . . . 0.0 111.957 -179.694 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.471 HD12 ' N ' ' A' ' 8' ' ' LYS . 7.8 tp -163.77 114.52 1.34 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.579 -179.96 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.471 ' N ' HD12 ' A' ' 7' ' ' LEU . 24.8 tttm -83.5 -77.31 0.25 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.6 179.949 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.319 0 O-C-N 120.096 -1.627 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo . . . . . 0 N--CA 1.488 1.193 0 CA-C-O 120.809 0.254 . . . . 0.0 111.988 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 41.7 p -152.9 35.29 0.48 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.596 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.564 -179.527 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo . . . . . 0 N--CA 1.488 1.167 0 CA-C-O 120.785 0.244 . . . . 0.0 111.967 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 41.7 p -152.9 35.08 0.48 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.559 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.59 -179.537 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo . . . . . 0 N--CA 1.488 1.16 0 CA-C-O 120.811 0.255 . . . . 0.0 112.029 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 40.8 p -153.3 48.34 0.69 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.53 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.248 -179.42 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo . . . . . 0 N--CA 1.489 1.206 0 CA-C-O 120.782 0.243 . . . . 0.0 111.988 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.6 m -153.13 39.39 0.52 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.605 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.588 -179.548 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo . . . . . 0 N--CA 1.488 1.15 0 CA-C-O 120.748 0.228 . . . . 0.0 112.022 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -153.21 42.52 0.59 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.573 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.494 -179.432 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo . . . . . 0 N--CA 1.488 1.187 0 CA-C-O 120.78 0.242 . . . . 0.0 111.989 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.7 m -153.19 35.34 0.47 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.52 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.548 -179.596 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo . . . . . 0 N--CA 1.487 1.128 0 CA-C-O 120.844 0.268 . . . . 0.0 111.944 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.9 m -153.58 49.58 0.68 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.58 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.658 -179.471 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo . . . . . 0 N--CA 1.487 1.134 0 CA-C-O 120.769 0.237 . . . . 0.0 112.027 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -153.23 45.22 0.65 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.61 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.2 p . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.525 -179.464 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo . . . . . 0 N--CA 1.487 1.111 0 CA-C-O 120.856 0.273 . . . . 0.0 111.967 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.6 m -153.18 40.26 0.53 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.559 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.567 -179.591 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo . . . . . 0 N--CA 1.488 1.202 0 CA-C-O 120.799 0.249 . . . . 0.0 111.979 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 41.8 p -152.89 35.17 0.48 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.553 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.613 -179.597 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo . . . . . 0 N--CA 1.486 1.088 0 CA-C-O 120.745 0.227 . . . . 0.0 111.972 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 41.8 p -152.95 35.05 0.48 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.557 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.589 -179.539 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo . . . . . 0 N--CA 1.487 1.095 0 CA-C-O 120.769 0.237 . . . . 0.0 111.976 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 41.5 p -152.88 35.16 0.48 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.539 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.562 -179.558 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo . . . . . 0 N--CA 1.488 1.167 0 CA-C-O 120.756 0.232 . . . . 0.0 111.961 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.4 m -153.21 39.98 0.53 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.607 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.632 -179.555 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo . . . . . 0 N--CA 1.488 1.161 0 CA-C-O 120.808 0.253 . . . . 0.0 111.982 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -153.16 39.66 0.52 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.531 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.583 -179.56 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo . . . . . 0 N--CA 1.488 1.178 0 CA-C-O 120.779 0.241 . . . . 0.0 112.007 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.9 m -153.21 41.58 0.56 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.557 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.586 -179.577 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo . . . . . 0 N--CA 1.489 1.209 0 CA-C-O 120.81 0.254 . . . . 0.0 111.966 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -153.14 39.68 0.52 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.583 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.532 -179.527 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo . . . . . 0 N--CA 1.487 1.131 0 CA-C-O 120.814 0.256 . . . . 0.0 112.007 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 41.2 p -153.08 46.21 0.68 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.58 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.576 -179.559 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo . . . . . 0 N--CA 1.487 1.089 0 CA-C-O 120.836 0.265 . . . . 0.0 112.024 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -153.06 35.82 0.48 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.576 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.6 -179.598 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo . . . . . 0 N--CA 1.488 1.161 0 CA-C-O 120.811 0.255 . . . . 0.0 112.008 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -153.16 38.46 0.5 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.695 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.631 -179.659 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo . . . . . 0 N--CA 1.488 1.167 0 CA-C-O 120.837 0.265 . . . . 0.0 111.921 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 41.7 p -152.92 38.17 0.51 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.573 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.546 -179.523 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo . . . . . 0 N--CA 1.488 1.147 0 CA-C-O 120.76 0.233 . . . . 0.0 112.034 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.2 m -153.15 35.26 0.47 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.614 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.572 -179.584 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo . . . . . 0 N--CA 1.487 1.093 0 CA-C-O 120.902 0.292 . . . . 0.0 112.029 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -153.21 40.9 0.54 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.541 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.538 -179.559 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo . . . . . 0 N--CA 1.488 1.156 0 CA-C-O 120.825 0.26 . . . . 0.0 111.926 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 41.7 p -152.91 35.14 0.48 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.545 179.981 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.607 -179.648 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo . . . . . 0 N--CA 1.488 1.184 0 CA-C-O 120.769 0.237 . . . . 0.0 111.944 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.709 HG22 ' O ' ' A' ' 3' ' ' THR . 89.8 m -153.22 40.21 0.53 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.534 179.954 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.567 -179.599 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo . . . . . 0 N--CA 1.488 1.17 0 CA-C-O 120.796 0.248 . . . . 0.0 112.003 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 41.7 p -152.81 39.88 0.55 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.534 -179.931 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.581 -179.518 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo . . . . . 0 N--CA 1.487 1.137 0 CA-C-O 120.702 0.209 . . . . 0.0 112.055 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.8 m -153.15 36.25 0.48 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.497 -179.952 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.554 -179.576 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo . . . . . 0 N--CA 1.487 1.144 0 CA-C-O 120.863 0.276 . . . . 0.0 112.031 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 41.8 p -152.93 38.92 0.52 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.525 -179.931 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.6 -179.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.122 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.58 101.24 0.04 OUTLIER 'Trans proline' 0 C--N 1.305 -1.742 0 C-N-CA 123.017 2.478 . . . . 0.0 111.988 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 41.7 p -152.9 35.29 0.48 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.596 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -95.36 -175.45 3.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.564 -179.527 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -154.21 158.89 32.43 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.564 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.62 101.78 0.04 OUTLIER 'Trans proline' 0 C--N 1.305 -1.711 0 C-N-CA 123.013 2.475 . . . . 0.0 112.019 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.4 mt -75.59 104.62 6.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.585 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.4 mtpm? -156.49 -73.86 0.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.577 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.371 0 O-C-N 120.176 -1.577 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.109 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.6 100.79 0.04 OUTLIER 'Trans proline' 0 C--N 1.305 -1.745 0 C-N-CA 123.042 2.495 . . . . 0.0 111.967 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 41.7 p -152.9 35.08 0.48 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.559 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -95.36 148.56 22.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.59 -179.537 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.408 ' O ' ' N ' ' A' ' 7' ' ' LEU . 0.2 OUTLIER -85.71 158.44 56.71 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.589 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.53 90.44 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.755 0 C-N-CA 122.988 2.458 . . . . 0.0 112.034 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.408 ' N ' ' O ' ' A' ' 5' ' ' THR . 2.1 pp -164.66 163.34 21.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.511 179.63 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.9 ptpt -156.49 -140.91 0.09 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.556 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.35 0 O-C-N 120.071 -1.643 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.129 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.45 100.19 0.04 OUTLIER 'Trans proline' 0 C--N 1.305 -1.741 0 C-N-CA 123.041 2.494 . . . . 0.0 112.029 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 40.8 p -153.3 48.34 0.69 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.53 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.15 12.84 27.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.248 -179.42 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.454 ' O ' ' N ' ' A' ' 7' ' ' LEU . 2.7 m -85.58 134.99 38.87 Favored Pre-proline 0 C--N 1.329 -0.284 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 -179.661 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -38.16 91.75 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 122.658 2.239 . . . . 0.0 111.744 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.454 ' N ' ' O ' ' A' ' 5' ' ' THR . 8.2 tp -163.82 113.75 1.28 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.391 -179.608 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.453 ' N ' HD12 ' A' ' 7' ' ' LEU . 1.2 ptpt -83.53 119.31 24.54 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.467 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.307 -1.28 0 O-C-N 120.021 -1.674 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.111 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.55 172.67 0.02 OUTLIER 'Trans proline' 0 C--N 1.304 -1.801 0 C-N-CA 123.06 2.507 . . . . 0.0 111.988 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.6 m -153.13 39.39 0.52 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.605 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -95.22 150.32 20.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.588 -179.548 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.727 HG23 ' O ' ' A' ' 5' ' ' THR . 12.9 t -154.38 64.93 4.76 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.533 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.66 162.44 0.07 OUTLIER 'Trans proline' 0 C--N 1.304 -1.773 0 C-N-CA 123.027 2.485 . . . . 0.0 111.975 -179.245 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.437 ' C ' HD12 ' A' ' 7' ' ' LEU . 0.3 OUTLIER -164.28 -176.94 4.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.575 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 25.5 pttt -156.57 2.57 0.14 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.552 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.374 0 O-C-N 120.097 -1.627 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.078 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.5 124.41 5.29 Favored 'Trans proline' 0 C--N 1.306 -1.707 0 C-N-CA 123.031 2.488 . . . . 0.0 112.022 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -153.21 42.52 0.59 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.573 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -95.15 158.05 15.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.494 -179.432 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -154.41 73.33 6.11 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.532 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.44 119.58 5.58 Favored 'Trans proline' 0 C--N 1.305 -1.758 0 C-N-CA 123.045 2.497 . . . . 0.0 112.038 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.9 pp -164.42 131.17 3.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.577 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.0 mptt -83.52 -128.4 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.564 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.335 0 O-C-N 120.123 -1.61 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.104 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.53 102.78 0.04 OUTLIER 'Trans proline' 0 C--N 1.304 -1.779 0 C-N-CA 123.024 2.483 . . . . 0.0 111.989 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.7 m -153.19 35.34 0.47 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.52 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -95.39 151.06 19.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.548 -179.596 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.477 ' O ' ' N ' ' A' ' 7' ' ' LEU . 0.5 OUTLIER -85.65 158.53 56.78 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.573 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.63 86.55 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.727 0 C-N-CA 123.09 2.527 . . . . 0.0 111.946 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.477 ' N ' ' O ' ' A' ' 5' ' ' THR . 11.0 tp -76.27 110.48 10.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.594 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 21.2 pttt -156.46 19.32 0.34 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.513 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.367 0 O-C-N 120.156 -1.59 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.12 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.65 168.38 0.03 OUTLIER 'Trans proline' 0 C--N 1.305 -1.758 0 C-N-CA 123.058 2.505 . . . . 0.0 111.944 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.9 m -153.58 49.58 0.68 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.58 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -95.07 12.48 28.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.658 -179.471 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 18.8 m -85.58 131.46 47.58 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.513 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.74 105.72 0.07 OUTLIER 'Trans proline' 0 C--N 1.306 -1.703 0 C-N-CA 123.021 2.48 . . . . 0.0 111.95 -179.473 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.9 mt -163.33 116.8 1.57 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.537 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.48 68.67 0.6 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.547 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.367 0 O-C-N 120.218 -1.551 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.127 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.55 -175.68 2.57 Favored 'Trans proline' 0 C--N 1.304 -1.79 0 C-N-CA 123.036 2.491 . . . . 0.0 112.027 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -153.23 45.22 0.65 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.61 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.2 p -95.08 153.1 17.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.525 -179.464 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.2 m -154.4 66.81 5.4 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.578 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.67 165.65 0.04 OUTLIER 'Trans proline' 0 C--N 1.305 -1.722 0 C-N-CA 123.043 2.495 . . . . 0.0 112.002 -179.501 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -163.52 145.45 9.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.577 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.52 -173.1 4.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.53 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.365 0 O-C-N 120.164 -1.585 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.077 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.58 29.78 0.38 Allowed 'Trans proline' 0 C--N 1.306 -1.678 0 C-N-CA 123.046 2.497 . . . . 0.0 111.967 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.6 m -153.18 40.26 0.53 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.559 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -95.3 -175.36 3.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.567 -179.591 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.681 ' O ' ' N ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -154.3 151.62 24.56 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.563 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.458 ' C ' ' H ' ' A' ' 8' ' ' LYS . 2.8 Cg_endo -44.64 74.06 0.01 OUTLIER 'Trans proline' 0 C--N 1.306 -1.696 0 C-N-CA 122.977 2.451 . . . . 0.0 111.978 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.681 ' N ' ' O ' ' A' ' 5' ' ' THR . 0.9 OUTLIER -76.33 24.52 0.14 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.619 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.458 ' H ' ' C ' ' A' ' 6' ' ' PRO . 25.3 ttpt -83.47 -59.19 2.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.575 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.332 0 O-C-N 120.146 -1.596 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.089 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.46 105.15 2.03 Favored 'Trans proline' 0 C--N 1.304 -1.767 0 C-N-CA 123.01 2.474 . . . . 0.0 111.979 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 41.8 p -152.89 35.17 0.48 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.553 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -95.4 149.69 21.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.613 -179.597 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -85.7 159.43 55.2 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.496 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.52 131.39 9.58 Favored 'Trans proline' 0 C--N 1.305 -1.713 0 C-N-CA 122.993 2.462 . . . . 0.0 112.045 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.9 mt -163.21 97.35 0.9 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.575 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.55 -164.36 1.64 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.57 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.377 0 O-C-N 120.162 -1.586 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.109 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.56 100.06 0.04 OUTLIER 'Trans proline' 0 C--N 1.304 -1.784 0 C-N-CA 123.065 2.51 . . . . 0.0 111.972 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 41.8 p -152.95 35.05 0.48 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.557 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -95.38 -175.27 3.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.589 -179.539 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -154.16 158.9 32.45 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.599 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.67 103.26 0.05 OUTLIER 'Trans proline' 0 C--N 1.305 -1.738 0 C-N-CA 122.989 2.459 . . . . 0.0 111.962 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.1 mt -163.4 -174.03 3.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.552 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.6 mmmt -83.57 -87.75 0.1 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.591 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.372 0 O-C-N 120.097 -1.627 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.086 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.61 100.09 0.04 OUTLIER 'Trans proline' 0 C--N 1.306 -1.679 0 C-N-CA 123.084 2.523 . . . . 0.0 111.976 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 41.5 p -152.88 35.16 0.48 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.539 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -95.38 -175.24 3.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.562 -179.558 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.477 ' O ' ' N ' ' A' ' 7' ' ' LEU . 0.5 OUTLIER -154.27 158.3 32.37 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.54 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.68 86.4 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.745 0 C-N-CA 123.032 2.488 . . . . 0.0 111.963 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.477 ' N ' ' O ' ' A' ' 5' ' ' THR . 11.0 tp -76.21 110.48 10.75 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.602 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.51 151.23 25.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.498 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.343 0 O-C-N 120.153 -1.592 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.116 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.57 29.81 0.37 Allowed 'Trans proline' 0 C--N 1.305 -1.747 0 C-N-CA 123.002 2.468 . . . . 0.0 111.961 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.4 m -153.21 39.98 0.53 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.607 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -95.24 -175.26 3.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.632 -179.555 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.446 ' O ' HD22 ' A' ' 7' ' ' LEU . 2.1 t -154.36 145.46 16.41 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.579 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.59 103.02 0.04 OUTLIER 'Trans proline' 0 C--N 1.306 -1.704 0 C-N-CA 123.061 2.507 . . . . 0.0 112.034 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.45 HD13 ' HA ' ' A' ' 7' ' ' LEU . 3.1 mm? -74.77 86.07 2.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.535 179.795 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.1 mmtt -83.58 -95.46 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.55 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.375 0 O-C-N 120.162 -1.586 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.087 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.59 172.28 16.61 Favored 'Trans proline' 0 C--N 1.305 -1.718 0 C-N-CA 122.938 2.425 . . . . 0.0 111.982 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -153.16 39.66 0.52 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.531 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -95.28 149.7 21.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.583 -179.56 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 18.7 m -85.65 131.37 47.72 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.602 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.55 103.77 0.05 OUTLIER 'Trans proline' 0 C--N 1.306 -1.658 0 C-N-CA 123.041 2.494 . . . . 0.0 111.974 -179.474 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.9 mt -163.22 97.82 0.91 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.553 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.2 pttp -156.45 26.3 0.34 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.62 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.392 0 O-C-N 120.184 -1.573 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.071 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.62 168.74 0.03 OUTLIER 'Trans proline' 0 C--N 1.306 -1.703 0 C-N-CA 122.998 2.465 . . . . 0.0 112.007 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.9 m -153.21 41.58 0.56 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.557 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -95.2 146.27 24.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.586 -179.577 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -85.82 159.14 55.43 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.514 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.64 98.23 0.03 OUTLIER 'Trans proline' 0 C--N 1.305 -1.729 0 C-N-CA 122.957 2.438 . . . . 0.0 112.015 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.7 mt -75.73 178.95 5.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.574 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 31.1 tttt -83.55 -67.01 0.82 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.543 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.328 0 O-C-N 120.171 -1.58 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.113 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.63 172.0 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.756 0 C-N-CA 123.002 2.468 . . . . 0.0 111.966 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -153.14 39.68 0.52 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.583 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -95.3 149.83 20.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.532 -179.527 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -85.61 159.61 55.1 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.518 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.474 ' C ' ' H ' ' A' ' 8' ' ' LYS . 2.9 Cg_endo -44.75 100.32 0.04 OUTLIER 'Trans proline' 0 C--N 1.306 -1.689 0 C-N-CA 122.994 2.463 . . . . 0.0 111.988 -179.793 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -75.67 22.48 0.13 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.502 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.474 ' H ' ' C ' ' A' ' 6' ' ' PRO . 0.8 OUTLIER -156.53 -17.25 0.1 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.536 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.356 0 O-C-N 120.113 -1.617 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.095 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.6 -171.0 0.91 Allowed 'Trans proline' 0 C--N 1.306 -1.686 0 C-N-CA 122.992 2.461 . . . . 0.0 112.007 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 41.2 p -153.08 46.21 0.68 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.58 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -95.02 -175.31 3.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.576 -179.559 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -154.17 158.87 32.44 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.601 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.68 118.99 2.07 Favored 'Trans proline' 0 C--N 1.305 -1.717 0 C-N-CA 123.061 2.507 . . . . 0.0 111.932 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.1 mt -163.28 -174.02 3.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.602 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.1 mmtt -83.54 -25.14 31.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.554 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.327 0 O-C-N 120.183 -1.573 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.112 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.53 100.14 1.34 Allowed 'Trans proline' 0 C--N 1.305 -1.72 0 C-N-CA 123.035 2.49 . . . . 0.0 112.024 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -153.06 35.82 0.48 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.576 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -95.36 147.2 23.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.6 -179.598 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -85.82 159.27 55.17 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.527 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.68 98.02 0.03 OUTLIER 'Trans proline' 0 C--N 1.305 -1.713 0 C-N-CA 123.08 2.52 . . . . 0.0 111.963 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.0 mt -75.77 129.24 36.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.573 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.4 mttt -83.48 -172.53 4.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.606 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.342 0 O-C-N 120.079 -1.638 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.026 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.46 100.38 1.36 Allowed 'Trans proline' 0 C--N 1.304 -1.78 0 C-N-CA 123.059 2.506 . . . . 0.0 112.008 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -153.16 38.46 0.5 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.695 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -95.17 149.16 21.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.631 -179.659 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -85.68 159.53 55.05 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.567 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.6 102.15 0.04 OUTLIER 'Trans proline' 0 C--N 1.305 -1.742 0 C-N-CA 123.022 2.482 . . . . 0.0 112.03 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -75.6 134.36 40.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.564 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -156.48 20.16 0.34 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.558 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.398 0 O-C-N 120.143 -1.598 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . 0.416 ' O ' ' O ' ' A' ' 2' ' ' PRO . . . . . . . . 0 C--O 1.231 0.1 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.416 ' O ' ' O ' ' A' ' 1' ' ' ACE . 2.8 Cg_endo -44.55 174.94 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.715 0 C-N-CA 123.057 2.505 . . . . 0.0 111.921 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 41.7 p -152.92 38.17 0.51 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.573 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -95.32 -175.02 3.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.546 -179.523 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -154.16 158.88 32.45 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.555 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.57 107.98 0.12 Allowed 'Trans proline' 0 C--N 1.305 -1.757 0 C-N-CA 123.016 2.477 . . . . 0.0 111.967 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.7 mt -75.75 174.11 10.24 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.522 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -83.47 174.88 10.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.565 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.34 0 O-C-N 120.163 -1.585 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.093 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.43 ' HB2' ' H8B' ' A' ' 10' ' ' A2G . 2.8 Cg_endo -44.58 102.52 0.04 OUTLIER 'Trans proline' 0 C--N 1.305 -1.716 0 C-N-CA 122.969 2.446 . . . . 0.0 112.034 . . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.2 m -153.15 35.26 0.47 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.614 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -95.39 10.29 36.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.572 -179.584 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 15.9 m -154.35 66.33 5.26 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.625 179.996 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.476 ' C ' ' H ' ' A' ' 8' ' ' LYS . 2.9 Cg_endo -44.57 116.23 1.04 Allowed 'Trans proline' 0 C--N 1.306 -1.695 0 C-N-CA 123.056 2.504 . . . . 0.0 111.963 -179.467 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 48.2 mt -75.73 26.69 0.11 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.531 179.976 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.476 ' H ' ' C ' ' A' ' 6' ' ' PRO . 0.9 OUTLIER -83.53 175.01 10.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.617 179.966 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.349 0 O-C-N 120.115 -1.616 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . 0.43 ' H8B' ' HB2' ' A' ' 2' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.1 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.51 27.57 0.38 Allowed 'Trans proline' 0 C--N 1.305 -1.741 0 C-N-CA 123.11 2.54 . . . . 0.0 112.029 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -153.21 40.9 0.54 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.541 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -95.22 152.93 17.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.538 -179.559 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 17.3 m -154.37 66.81 5.42 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.55 -179.99 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.54 103.26 0.05 OUTLIER 'Trans proline' 0 C--N 1.305 -1.712 0 C-N-CA 123.037 2.492 . . . . 0.0 111.997 -179.538 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.8 tp -76.11 110.68 10.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.519 -179.982 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.8 ttmp? -156.51 -31.77 0.09 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.536 179.975 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.383 0 O-C-N 120.147 -1.595 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.114 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.61 100.4 0.04 OUTLIER 'Trans proline' 0 C--N 1.305 -1.746 0 C-N-CA 123.051 2.501 . . . . 0.0 111.926 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 41.7 p -152.91 35.14 0.48 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.545 179.981 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -95.33 148.81 22.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.607 -179.648 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 18.8 m -85.7 131.36 47.64 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.526 -179.984 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.6 134.93 9.73 Favored 'Trans proline' 0 C--N 1.306 -1.697 0 C-N-CA 122.969 2.446 . . . . 0.0 112.014 -179.535 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.9 mt -163.31 94.93 0.82 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.526 -179.916 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.2 ttpt -156.55 -71.08 0.1 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.565 179.963 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.391 0 O-C-N 120.162 -1.586 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.119 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.5 28.99 0.37 Allowed 'Trans proline' 0 C--N 1.305 -1.753 0 C-N-CA 123.063 2.509 . . . . 0.0 111.944 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.709 HG22 ' O ' ' A' ' 3' ' ' THR . 89.8 m -153.22 40.21 0.53 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.534 179.954 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -95.27 152.6 18.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.567 -179.599 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.5 m -154.35 66.68 5.38 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.566 -179.994 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.63 103.81 0.05 OUTLIER 'Trans proline' 0 C--N 1.305 -1.761 0 C-N-CA 122.994 2.462 . . . . 0.0 112.005 -179.546 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.485 ' C ' HD12 ' A' ' 7' ' ' LEU . 2.0 pp -164.17 153.21 13.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.545 179.83 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.3 tptm -156.5 51.65 0.51 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.575 -179.954 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.34 0 O-C-N 120.088 -1.633 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.112 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.49 29.68 0.37 Allowed 'Trans proline' 0 C--N 1.305 -1.756 0 C-N-CA 123.011 2.474 . . . . 0.0 112.003 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 41.7 p -152.81 39.88 0.55 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.534 -179.931 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -95.19 -175.28 3.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.581 -179.518 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -154.42 154.06 28.94 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.545 179.981 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.55 146.6 2.05 Favored 'Trans proline' 0 C--N 1.304 -1.806 0 C-N-CA 123.062 2.508 . . . . 0.0 111.958 -179.631 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.9 mt -163.33 21.45 0.08 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.603 -179.924 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -83.61 127.01 33.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.544 -179.957 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.326 0 O-C-N 120.105 -1.622 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.071 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.6 132.92 10.04 Favored 'Trans proline' 0 C--N 1.306 -1.692 0 C-N-CA 123.009 2.472 . . . . 0.0 112.055 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.8 m -153.15 36.25 0.48 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.497 -179.952 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -95.4 147.0 23.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.554 -179.576 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -85.92 158.94 55.5 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.598 -179.961 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.47 96.24 0.03 OUTLIER 'Trans proline' 0 C--N 1.305 -1.746 0 C-N-CA 123.079 2.52 . . . . 0.0 111.976 -179.829 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.7 mt -75.79 160.68 29.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.515 179.963 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -156.51 138.98 14.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.572 179.949 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.344 0 O-C-N 120.205 -1.559 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.138 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.47 29.43 0.37 Allowed 'Trans proline' 0 C--N 1.304 -1.765 0 C-N-CA 122.969 2.446 . . . . 0.0 112.031 . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 41.8 p -152.93 38.92 0.52 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.525 -179.931 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -95.27 149.39 21.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.6 -179.56 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -85.61 154.1 58.8 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.546 179.982 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.65 168.55 0.03 OUTLIER 'Trans proline' 0 C--N 1.305 -1.731 0 C-N-CA 123.046 2.497 . . . . 0.0 111.957 -179.694 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.471 HD12 ' N ' ' A' ' 8' ' ' LYS . 7.8 tp -163.77 114.52 1.34 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.579 -179.96 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.471 ' N ' HD12 ' A' ' 7' ' ' LEU . 24.8 tttm -83.5 -77.31 0.25 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.6 179.949 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.319 0 O-C-N 120.096 -1.627 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_