data_2n6h_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 2n6h _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 ' 1' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 . . . . . 0 C--O 1.235 0.328 0 CA-C-O 120.89 0.376 . . . . 0.0 110.165 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 77.3 mtp180 -107.15 142.36 36.97 Favored 'General case' 0 CA--C 1.513 -0.479 0 CA-C-O 121.593 0.711 . . . . 0.0 112.802 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -167.5 127.09 1.38 Allowed 'General case' 0 N--CA 1.445 -0.717 0 CA-C-N 114.51 -1.223 . . . . 0.0 110.883 177.093 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.504 ' CD1' ' C ' ' A' ' 4' ' ' TYR . 8.4 p90 -158.31 158.7 34.86 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 107.536 -1.283 . . . . 0.0 107.536 177.259 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.416 ' H ' ' HA ' ' A' ' 10' ' ' GLN . 4.5 mm-40 -114.5 126.42 54.92 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 178.527 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 87.5 tttt . . . . . 0 CA--C 1.515 -0.375 0 N-CA-C 108.35 -0.981 . . . . 0.0 108.35 179.014 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 59.7 t . . . . . 0 N--CA 1.464 0.27 0 CA-C-O 120.037 -0.03 . . . . 0.0 111.045 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.416 ' HA ' ' H ' ' A' ' 5' ' ' GLU . 23.5 pt20 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 121.251 0.548 . . . . 0.0 110.914 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp . . . . . 0 N--CA 1.464 0.23 0 CA-C-O 121.543 0.687 . . . . 0.0 110.522 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 . . . . . 0 N--CA 1.463 0.189 0 CA-C-O 121.22 0.534 . . . . 0.0 111.627 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.591 ' CD1' ' N ' ' A' ' 13' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.468 0.436 0 CA-C-O 121.353 0.597 . . . . 0.0 112.425 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' GLU . . . . . 0.461 ' O ' ' O ' ' A' ' 2' ' ' ARG . 17.8 tp10 . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 119.729 -0.177 . . . . 0.0 111.42 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . 0.49 ' HA ' ' NE ' ' A' ' 2' ' ' ARG . 5.2 tpm_? -56.92 -114.44 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.345 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 -178.036 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . 0.502 ' O ' ' O ' ' A' ' 13' ' ' ILE . 6.7 m-85 53.13 74.03 0.32 Allowed 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 120.102 -0.639 . . . . 0.0 111.641 179.339 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.709 ' O ' ' N ' ' A' ' 6' ' ' LYS . 12.1 p90 -114.81 170.36 8.39 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.271 -179.004 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 4' ' ' TYR . 38.8 tt0 -2.14 -51.58 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.833 0 O-C-N 124.594 1.184 . . . . 0.0 113.913 179.147 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.709 ' N ' ' O ' ' A' ' 4' ' ' TYR . 40.0 ttpt . . . . . 0 C--N 1.324 -0.53 0 CA-C-O 121.125 0.488 . . . . 0.0 111.497 179.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 13.3 p . . . . . 0 N--CA 1.472 0.671 0 N-CA-C 108.234 -1.024 . . . . 0.0 108.234 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.528 ' NE2' ' O ' ' A' ' 10' ' ' GLN . 3.0 pp0? . . . . . 0 CA--C 1.535 0.387 0 N-CA-C 112.569 0.581 . . . . 0.0 112.569 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.4 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 11.9 mptt . . . . . 0 C--O 1.239 0.541 0 N-CA-C 106.698 -1.593 . . . . 0.0 106.698 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 13.3 m-30 . . . . . 0 N--CA 1.474 0.741 0 N-CA-C 113.864 1.061 . . . . 0.0 113.864 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.502 ' O ' ' O ' ' A' ' 3' ' ' PHE . 29.1 pt . . . . . 0 N--CA 1.48 1.039 0 CA-C-O 121.551 0.691 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' GLU . . . . . 0.623 ' C ' ' HE ' ' A' ' 2' ' ' ARG . 12.2 pt-20 . . . . . 0 CA--C 1.53 0.194 0 CA-C-O 120.846 0.355 . . . . 0.0 110.788 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . 0.881 ' HE ' ' N ' ' A' ' 2' ' ' ARG . 0.0 OUTLIER -62.37 167.44 4.2 Favored 'General case' 0 CA--C 1.503 -0.837 0 CA-C-O 122.566 1.174 . . . . 0.0 112.124 -179.215 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 61.9 t80 90.48 91.47 0.02 OUTLIER 'General case' 0 C--N 1.306 -1.292 0 CA-C-N 111.538 -2.574 . . . . 0.0 111.038 -179.338 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.481 ' CD1' ' C ' ' A' ' 4' ' ' TYR . 20.6 p90 -165.88 158.51 15.0 Favored 'General case' 0 N--CA 1.444 -0.767 0 C-N-CA 119.606 -0.838 . . . . 0.0 110.201 179.354 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.427 ' C ' ' CD ' ' A' ' 5' ' ' GLU . 3.2 tm-20 -117.59 99.24 6.84 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 106.698 -1.593 . . . . 0.0 106.698 177.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.447 ' HB3' ' NZ ' ' A' ' 6' ' ' LYS . 5.5 ttpm? . . . . . 0 N--CA 1.465 0.279 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.762 -178.001 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 7.1 p . . . . . 0 CA--C 1.546 0.802 0 N-CA-C 112.928 0.714 . . . . 0.0 112.928 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.404 ' O ' ' NE2' ' A' ' 10' ' ' GLN . 2.3 pp0? . . . . . 0 N--CA 1.464 0.233 0 CA-C-O 120.818 0.342 . . . . 0.0 111.734 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.4 pttp . . . . . 0 C--O 1.223 -0.316 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 . . . . . 0 CA--C 1.519 -0.229 0 CA-C-O 121.552 0.692 . . . . 0.0 111.204 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 13.7 tt . . . . . 0 N--CA 1.476 0.85 0 CA-C-O 121.194 0.521 . . . . 0.0 110.645 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 . . . . . 0 C--O 1.236 0.387 0 N-CA-C 107.363 -1.347 . . . . 0.0 107.363 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . 0.681 ' O ' ' N ' ' A' ' 4' ' ' TYR . 0.0 OUTLIER -62.29 -16.26 52.82 Favored 'General case' 0 CA--C 1.514 -0.422 0 N-CA-C 112.58 0.585 . . . . 0.0 112.58 -174.801 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . 0.484 ' HD2' ' H ' ' A' ' 12' ' ' PHE . 46.3 t80 -18.49 71.3 0.0 OUTLIER 'General case' 0 CA--C 1.547 0.846 0 O-C-N 124.747 1.279 . . . . 0.0 111.349 -177.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.681 ' N ' ' O ' ' A' ' 2' ' ' ARG . 5.5 p90 -111.43 154.73 24.24 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 118.123 0.419 . . . . 0.0 111.861 -176.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.587 ' O ' ' N ' ' A' ' 9' ' ' VAL . 15.5 pt-20 -8.43 -46.17 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 115.335 1.606 . . . . 0.0 115.335 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.629 ' N ' ' O ' ' A' ' 4' ' ' TYR . 62.0 mttp . . . . . 0 C--N 1.314 -0.952 0 CA-C-N 118.122 0.419 . . . . 0.0 110.494 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.587 ' N ' ' O ' ' A' ' 5' ' ' GLU . 61.9 t . . . . . 0 N--CA 1.464 0.246 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.407 ' HB3' ' CE1' ' A' ' 3' ' ' PHE . 53.6 tt0 . . . . . 0 N--CA 1.463 0.175 0 CA-C-O 121.398 0.618 . . . . 0.0 111.877 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.3 pttp . . . . . 0 N--CA 1.481 1.106 0 N-CA-C 112.642 0.608 . . . . 0.0 112.642 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.55 ' CD1' ' N ' ' A' ' 12' ' ' PHE . 0.0 OUTLIER . . . . . 0 CA--C 1.538 0.486 0 N-CA-C 115.042 1.497 . . . . 0.0 115.042 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.466 ' CD1' ' C ' ' A' ' 13' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.43 0 CA-C-O 120.464 0.173 . . . . 0.0 111.348 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 . . . . . 0 N--CA 1.471 0.606 0 CA-C-O 121.338 0.59 . . . . 0.0 111.273 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 85.4 mtm180 -70.01 -39.63 75.72 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-O 122.065 0.936 . . . . 0.0 110.014 179.416 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . 0.569 ' CD2' ' O ' ' A' ' 3' ' ' PHE . 69.8 t80 32.75 64.11 0.28 Allowed 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 113.283 -1.78 . . . . 0.0 110.738 -176.717 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.681 ' CD1' ' O ' ' A' ' 4' ' ' TYR . 0.0 OUTLIER -109.18 86.48 2.29 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 120.134 -0.627 . . . . 0.0 110.371 178.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.571 ' C ' ' O ' ' A' ' 4' ' ' TYR . 3.5 tm-20 -23.98 126.86 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.104 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 -179.459 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.835 ' HZ3' ' H ' ' A' ' 6' ' ' LYS . 0.1 OUTLIER . . . . . 0 N--CA 1.472 0.626 0 CA-C-O 121.615 0.721 . . . . 0.0 111.817 -173.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 96.4 t . . . . . 0 N--CA 1.47 0.528 0 N-CA-C 112.17 0.433 . . . . 0.0 112.17 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.742 ' H ' ' NZ ' ' A' ' 11' ' ' LYS . 72.7 mt-30 . . . . . 0 N--CA 1.465 0.304 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.742 ' NZ ' ' H ' ' A' ' 10' ' ' GLN . 0.4 OUTLIER . . . . . 0 CA--C 1.539 0.528 0 N-CA-C 109.379 -0.601 . . . . 0.0 109.379 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.499 ' CD1' ' N ' ' A' ' 12' ' ' PHE . 14.0 m-85 . . . . . 0 N--CA 1.467 0.4 0 CA-C-O 120.813 0.339 . . . . 0.0 110.858 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.471 ' CD1' ' C ' ' A' ' 13' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.466 0.368 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 . . . . . 0 C--O 1.237 0.425 0 CA-C-O 120.975 0.417 . . . . 0.0 111.17 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . 0.949 ' H ' ' NE ' ' A' ' 2' ' ' ARG . 0.0 OUTLIER -104.79 37.85 2.05 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 118.227 -0.892 . . . . 0.0 112.033 -179.91 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . 0.61 ' C ' ' O ' ' A' ' 2' ' ' ARG . 42.9 t80 -23.32 95.66 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 107.876 -1.157 . . . . 0.0 107.876 177.039 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.524 ' N ' ' O ' ' A' ' 2' ' ' ARG . 22.2 t80 -105.11 117.51 34.2 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 119.581 -0.848 . . . . 0.0 111.666 -170.392 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -138.84 75.24 1.51 Allowed 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 178.186 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 62.3 tttm . . . . . 0 CA--C 1.519 -0.216 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.423 -179.124 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.44 ' O ' ' CG1' ' A' ' 9' ' ' VAL . 11.2 p . . . . . 0 CA--C 1.543 0.711 0 N-CA-C 111.829 0.307 . . . . 0.0 111.829 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.408 ' C ' ' CD ' ' A' ' 10' ' ' GLN . 2.7 tm0? . . . . . 0 CA--C 1.534 0.335 0 N-CA-C 107.736 -1.209 . . . . 0.0 107.736 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.529 ' NZ ' ' HB2' ' A' ' 11' ' ' LYS . 4.5 ttmp? . . . . . 0 N--CA 1.448 -0.572 0 CA-C-O 121.067 0.461 . . . . 0.0 110.465 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.498 ' HB2' ' O ' ' A' ' 3' ' ' PHE . 4.2 p90 . . . . . 0 CA--C 1.518 -0.267 0 N-CA-C 114.499 1.296 . . . . 0.0 114.499 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.564 ' CD1' ' N ' ' A' ' 13' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.471 0.618 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' GLU . . . . . 0.51 ' C ' ' H ' ' A' ' 3' ' ' PHE . 4.6 mm-40 . . . . . 0 N--CA 1.464 0.268 0 CA-C-O 120.921 0.391 . . . . 0.0 110.274 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . 0.512 ' CD ' ' H ' ' A' ' 2' ' ' ARG . 0.0 OUTLIER -69.67 12.85 0.16 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.001 -179.276 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . 0.51 ' H ' ' C ' ' A' ' 1' ' ' GLU . 0.7 OUTLIER -52.97 112.78 0.91 Allowed 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.641 -0.504 . . . . 0.0 109.641 -179.804 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.514 ' CD1' ' C ' ' A' ' 4' ' ' TYR . 4.7 p90 -148.0 159.51 43.81 Favored 'General case' 0 CA--C 1.517 -0.324 0 N-CA-C 107.495 -1.298 . . . . 0.0 107.495 177.479 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.441 ' OE2' ' O ' ' A' ' 4' ' ' TYR . 67.7 mm-40 -137.57 107.63 6.36 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 107.902 -1.147 . . . . 0.0 107.902 177.02 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.555 ' HB3' ' H ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER . . . . . 0 CA--C 1.504 -0.812 0 N-CA-C 113.678 0.992 . . . . 0.0 113.678 -178.653 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.555 ' H ' ' HB3' ' A' ' 6' ' ' LYS . 29.6 m . . . . . 0 CA--C 1.553 1.067 0 N-CA-C 113.762 1.023 . . . . 0.0 113.762 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.417 ' O ' ' CG1' ' A' ' 9' ' ' VAL . 71.2 mt-30 . . . . . 0 N--CA 1.466 0.375 0 N-CA-C 110.574 -0.158 . . . . 0.0 110.574 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? . . . . . 0 CA--C 1.527 0.065 0 N-CA-C 110.013 -0.365 . . . . 0.0 110.013 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 8.9 m-30 . . . . . 0 N--CA 1.462 0.165 0 CA-C-O 120.739 0.304 . . . . 0.0 110.305 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.438 ' O ' ' O ' ' A' ' 3' ' ' PHE . 49.7 mm . . . . . 0 N--CA 1.47 0.568 0 CA-C-O 120.751 0.31 . . . . 0.0 111.355 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' GLU . . . . . 0.723 ' OE1' ' N ' ' A' ' 1' ' ' GLU . 0.9 OUTLIER . . . . . 0 C--O 1.243 0.742 0 CA-C-O 120.974 0.416 . . . . 0.0 111.194 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 77.0 mtm180 -50.29 152.55 1.76 Allowed 'General case' 0 CA--C 1.506 -0.733 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 -178.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 55.0 t80 -174.83 92.66 0.07 Allowed 'General case' 0 C--N 1.315 -0.932 0 C-N-CA 120.108 -0.637 . . . . 0.0 112.702 178.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.504 ' CD1' ' C ' ' A' ' 4' ' ' TYR . 7.6 p90 -155.92 163.23 40.02 Favored 'General case' 0 CA--C 1.516 -0.343 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 178.215 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.408 ' N ' ' OE1' ' A' ' 10' ' ' GLN . 5.7 tp10 -126.15 110.71 13.8 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 108.112 -1.07 . . . . 0.0 108.112 176.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 63.8 tttp . . . . . 0 CA--C 1.515 -0.391 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 -179.292 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 7.2 p . . . . . 0 CA--C 1.542 0.635 0 CA-C-O 120.981 0.42 . . . . 0.0 111.43 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.471 ' OE1' ' O ' ' A' ' 11' ' ' LYS . 9.9 mm100 . . . . . 0 N--CA 1.468 0.43 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.471 ' O ' ' OE1' ' A' ' 10' ' ' GLN . 19.0 ptpt . . . . . 0 N--CA 1.468 0.454 0 CA-C-O 120.956 0.408 . . . . 0.0 110.867 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.494 ' CD1' ' C ' ' A' ' 13' ' ' ILE . 6.1 m-85 . . . . . 0 N--CA 1.473 0.714 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.494 ' C ' ' CD1' ' A' ' 12' ' ' PHE . 6.5 tp . . . . . 0 N--CA 1.487 1.411 0 N-CA-C 113.052 0.76 . . . . 0.0 113.052 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 . . . . . 0 C--O 1.235 0.307 0 CA-C-O 120.591 0.234 . . . . 0.0 111.42 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 16.7 ptm180 -75.59 140.84 42.88 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-O 121.104 0.478 . . . . 0.0 111.522 -179.251 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . 0.45 ' O ' ' HB2' ' A' ' 12' ' ' PHE . 55.6 t80 177.31 77.4 0.01 OUTLIER 'General case' 0 C--O 1.237 0.443 0 CA-C-N 115.144 -0.935 . . . . 0.0 110.26 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.51 ' CD1' ' C ' ' A' ' 4' ' ' TYR . 7.2 p90 -120.92 160.63 23.09 Favored 'General case' 0 CA--C 1.51 -0.595 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 -179.757 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -129.1 103.63 7.09 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.781 178.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 63.2 mttp . . . . . 0 CA--C 1.512 -0.519 0 CA-C-O 121.676 0.75 . . . . 0.0 109.022 177.609 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 7.2 p . . . . . 0 CA--C 1.548 0.882 0 N-CA-C 113.026 0.75 . . . . 0.0 113.026 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.611 ' C ' ' NE2' ' A' ' 10' ' ' GLN . 0.0 OUTLIER . . . . . 0 CA--C 1.529 0.163 0 N-CA-C 107.431 -1.322 . . . . 0.0 107.431 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 61.6 mttp . . . . . 0 N--CA 1.472 0.657 0 CA-C-O 121.838 0.828 . . . . 0.0 112.863 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.45 ' HB2' ' O ' ' A' ' 3' ' ' PHE . 6.0 p90 . . . . . 0 N--CA 1.467 0.404 0 N-CA-C 113.884 1.068 . . . . 0.0 113.884 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 45.2 mm . . . . . 0 N--CA 1.469 0.514 0 N-CA-C 107.166 -1.42 . . . . 0.0 107.166 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.602 0.239 . . . . 0.0 110.945 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 16.9 ptm180 -98.27 25.91 5.83 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 112.444 0.535 . . . . 0.0 112.444 -179.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -60.74 127.1 29.97 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 119.343 -0.943 . . . . 0.0 110.702 -179.459 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.523 ' CD1' ' C ' ' A' ' 4' ' ' TYR . 6.7 p90 -153.29 162.33 41.41 Favored 'General case' 0 CA--C 1.514 -0.442 0 N-CA-C 107.109 -1.441 . . . . 0.0 107.109 177.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.417 ' C ' ' CD ' ' A' ' 5' ' ' GLU . 2.8 tm-20 -138.62 111.85 8.01 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 105.75 -1.944 . . . . 0.0 105.75 177.215 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.9 tmtm? . . . . . 0 N--CA 1.467 0.4 0 CA-C-O 121.309 0.576 . . . . 0.0 110.028 -176.894 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 7.4 p . . . . . 0 CA--C 1.55 0.976 0 CA-C-O 121.143 0.497 . . . . 0.0 111.905 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 41.1 tt0 . . . . . 0 CA--C 1.535 0.396 0 CA-C-O 120.502 0.191 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.586 ' NZ ' ' O ' ' A' ' 12' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.473 0.719 0 N-CA-C 108.191 -1.04 . . . . 0.0 108.191 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.586 ' O ' ' NZ ' ' A' ' 11' ' ' LYS . 11.7 m-30 . . . . . 0 N--CA 1.488 1.429 0 N-CA-C 113.125 0.787 . . . . 0.0 113.125 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.46 ' CD1' ' C ' ' A' ' 13' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.466 0.35 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . 0.411 ' CH3' ' O ' ' A' ' 15' ' ' ACE . . . . . . . . 0 C--O 1.231 0.109 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -81.7 133.66 35.38 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 120.89 0.376 . . . . 0.0 110.165 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 77.3 mtp180 -107.15 142.36 36.97 Favored 'General case' 0 CA--C 1.513 -0.479 0 CA-C-O 121.593 0.711 . . . . 0.0 112.802 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -167.5 127.09 1.38 Allowed 'General case' 0 N--CA 1.445 -0.717 0 CA-C-N 114.51 -1.223 . . . . 0.0 110.883 177.093 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.504 ' CD1' ' C ' ' A' ' 4' ' ' TYR . 8.4 p90 -158.31 158.7 34.86 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 107.536 -1.283 . . . . 0.0 107.536 177.259 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.416 ' H ' ' HA ' ' A' ' 10' ' ' GLN . 4.5 mm-40 -114.5 126.42 54.92 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 178.527 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 87.5 tttt . . . . . 0 CA--C 1.515 -0.375 0 N-CA-C 108.35 -0.981 . . . . 0.0 108.35 179.014 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' 4G6 . . . . . 0.571 ' CAE' ' O ' ' A' ' 8' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' DPR . . . . . 0.571 ' O ' ' CAE' ' A' ' 7' ' ' 4G6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.533 ' O ' ' C ' ' A' ' 8' ' ' DPR . 59.7 t . . . . . 0 N--CA 1.464 0.27 0 CA-C-O 120.037 -0.03 . . . . 0.0 111.045 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.416 ' HA ' ' H ' ' A' ' 5' ' ' GLU . 23.5 pt20 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 121.251 0.548 . . . . 0.0 110.914 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp . . . . . 0 N--CA 1.464 0.23 0 CA-C-O 121.543 0.687 . . . . 0.0 110.522 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 . . . . . 0 N--CA 1.463 0.189 0 CA-C-O 121.22 0.534 . . . . 0.0 111.627 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.591 ' CD1' ' N ' ' A' ' 13' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.468 0.436 0 CA-C-O 121.353 0.597 . . . . 0.0 112.425 . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 16.6 ptm180 . . . . . 0 N--CA 1.461 0.1 0 CA-C-O 120.68 0.276 . . . . 0.0 110.464 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ACE . . . . . 0.411 ' O ' ' CH3' ' A' ' 0' ' ' ACE . . . . . . . . 0 C--O 1.23 0.052 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.093 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . 0.461 ' O ' ' O ' ' A' ' 2' ' ' ARG . 17.8 tp10 -38.4 -44.67 0.94 Allowed 'General case' 0 N--CA 1.453 -0.31 0 O-C-N 123.146 0.279 . . . . 0.0 111.42 . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.49 ' HA ' ' NE ' ' A' ' 2' ' ' ARG . 5.2 tpm_? -56.92 -114.44 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.345 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 -178.036 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.502 ' O ' ' O ' ' A' ' 13' ' ' ILE . 6.7 m-85 53.13 74.03 0.32 Allowed 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 120.102 -0.639 . . . . 0.0 111.641 179.339 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.709 ' O ' ' N ' ' A' ' 6' ' ' LYS . 12.1 p90 -114.81 170.36 8.39 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.271 -179.004 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 4' ' ' TYR . 38.8 tt0 -2.14 -51.58 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.833 0 O-C-N 124.594 1.184 . . . . 0.0 113.913 179.147 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.709 ' N ' ' O ' ' A' ' 4' ' ' TYR . 40.0 ttpt . . . . . 0 C--N 1.324 -0.53 0 CA-C-O 121.125 0.488 . . . . 0.0 111.497 179.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' 4G6 . . . . . 0.533 ' CAA' ' O ' ' A' ' 8' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' DPR . . . . . 0.533 ' O ' ' CAA' ' A' ' 7' ' ' 4G6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.495 ' O ' ' C ' ' A' ' 8' ' ' DPR . 13.3 p . . . . . 0 N--CA 1.472 0.671 0 N-CA-C 108.234 -1.024 . . . . 0.0 108.234 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.528 ' NE2' ' O ' ' A' ' 10' ' ' GLN . 3.0 pp0? . . . . . 0 CA--C 1.535 0.387 0 N-CA-C 112.569 0.581 . . . . 0.0 112.569 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.4 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 11.9 mptt . . . . . 0 C--O 1.239 0.541 0 N-CA-C 106.698 -1.593 . . . . 0.0 106.698 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 13.3 m-30 . . . . . 0 N--CA 1.474 0.741 0 N-CA-C 113.864 1.061 . . . . 0.0 113.864 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.502 ' O ' ' O ' ' A' ' 3' ' ' PHE . 29.1 pt . . . . . 0 N--CA 1.48 1.039 0 CA-C-O 121.551 0.691 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 77.7 mtp180 . . . . . 0 CA--C 1.514 -0.421 0 CA-C-O 120.677 0.275 . . . . 0.0 111.316 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.237 0.405 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.081 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . 0.623 ' C ' ' HE ' ' A' ' 2' ' ' ARG . 12.2 pt-20 -161.88 22.98 0.11 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.846 0.355 . . . . 0.0 110.788 . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.881 ' HE ' ' N ' ' A' ' 2' ' ' ARG . 0.0 OUTLIER -62.37 167.44 4.2 Favored 'General case' 0 CA--C 1.503 -0.837 0 CA-C-O 122.566 1.174 . . . . 0.0 112.124 -179.215 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.405 ' CG ' ' NH2' ' A' ' 14' ' ' ARG . 61.9 t80 90.48 91.47 0.02 OUTLIER 'General case' 0 C--N 1.306 -1.292 0 CA-C-N 111.538 -2.574 . . . . 0.0 111.038 -179.338 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.481 ' CD1' ' C ' ' A' ' 4' ' ' TYR . 20.6 p90 -165.88 158.51 15.0 Favored 'General case' 0 N--CA 1.444 -0.767 0 C-N-CA 119.606 -0.838 . . . . 0.0 110.201 179.354 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.447 ' OE2' ' CAB' ' A' ' 7' ' ' 4G6 . 3.2 tm-20 -117.59 99.24 6.84 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 106.698 -1.593 . . . . 0.0 106.698 177.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.447 ' HB3' ' NZ ' ' A' ' 6' ' ' LYS . 5.5 ttpm? . . . . . 0 N--CA 1.465 0.279 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.762 -178.001 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' 4G6 . . . . . 0.447 ' CAB' ' OE2' ' A' ' 5' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' DPR . . . . . 0.472 ' C ' ' O ' ' A' ' 9' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.472 ' O ' ' C ' ' A' ' 8' ' ' DPR . 7.1 p . . . . . 0 CA--C 1.546 0.802 0 N-CA-C 112.928 0.714 . . . . 0.0 112.928 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.404 ' O ' ' NE2' ' A' ' 10' ' ' GLN . 2.3 pp0? . . . . . 0 N--CA 1.464 0.233 0 CA-C-O 120.818 0.342 . . . . 0.0 111.734 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.4 pttp . . . . . 0 C--O 1.223 -0.316 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.472 ' CZ ' ' NH2' ' A' ' 14' ' ' ARG . 7.6 m-85 . . . . . 0 CA--C 1.519 -0.229 0 CA-C-O 121.552 0.692 . . . . 0.0 111.204 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 13.7 tt . . . . . 0 N--CA 1.476 0.85 0 CA-C-O 121.194 0.521 . . . . 0.0 110.645 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.472 ' NH2' ' CZ ' ' A' ' 12' ' ' PHE . 79.3 mtp180 . . . . . 0 N--CA 1.463 0.215 0 CA-C-O 120.819 0.342 . . . . 0.0 111.196 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ACE . . . . . 0.435 ' O ' ' N ' ' A' ' 2' ' ' ARG . . . . . . . . 0 C--O 1.231 0.125 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.097 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . 0.434 ' O ' ' O ' ' A' ' 15' ' ' ACE . 39.3 tt0 -143.31 129.08 19.36 Favored 'General case' 0 C--O 1.236 0.387 0 N-CA-C 107.363 -1.347 . . . . 0.0 107.363 . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.681 ' O ' ' N ' ' A' ' 4' ' ' TYR . 0.0 OUTLIER -62.29 -16.26 52.82 Favored 'General case' 0 CA--C 1.514 -0.422 0 N-CA-C 112.58 0.585 . . . . 0.0 112.58 -174.801 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.484 ' HD2' ' H ' ' A' ' 12' ' ' PHE . 46.3 t80 -18.49 71.3 0.0 OUTLIER 'General case' 0 CA--C 1.547 0.846 0 O-C-N 124.747 1.279 . . . . 0.0 111.349 -177.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.681 ' N ' ' O ' ' A' ' 2' ' ' ARG . 5.5 p90 -111.43 154.73 24.24 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 118.123 0.419 . . . . 0.0 111.861 -176.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.587 ' O ' ' N ' ' A' ' 9' ' ' VAL . 15.5 pt-20 -8.43 -46.17 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 115.335 1.606 . . . . 0.0 115.335 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.629 ' N ' ' O ' ' A' ' 4' ' ' TYR . 62.0 mttp . . . . . 0 C--N 1.314 -0.952 0 CA-C-N 118.122 0.419 . . . . 0.0 110.494 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' 4G6 . . . . . 0.506 ' CAA' ' O ' ' A' ' 8' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' DPR . . . . . 0.506 ' O ' ' CAA' ' A' ' 7' ' ' 4G6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.587 ' N ' ' O ' ' A' ' 5' ' ' GLU . 61.9 t . . . . . 0 N--CA 1.464 0.246 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.407 ' HB3' ' CE1' ' A' ' 3' ' ' PHE . 53.6 tt0 . . . . . 0 N--CA 1.463 0.175 0 CA-C-O 121.398 0.618 . . . . 0.0 111.877 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.3 pttp . . . . . 0 N--CA 1.481 1.106 0 N-CA-C 112.642 0.608 . . . . 0.0 112.642 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.55 ' CD1' ' N ' ' A' ' 12' ' ' PHE . 0.0 OUTLIER . . . . . 0 CA--C 1.538 0.486 0 N-CA-C 115.042 1.497 . . . . 0.0 115.042 . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.544 ' N ' ' HE ' ' A' ' 14' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.43 0 CA-C-O 120.464 0.173 . . . . 0.0 111.348 . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.544 ' HE ' ' N ' ' A' ' 13' ' ' ILE . 4.9 tpm_? . . . . . 0 N--CA 1.461 0.116 0 N-CA-C 111.898 0.333 . . . . 0.0 111.898 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ACE . . . . . 0.434 ' O ' ' O ' ' A' ' 1' ' ' GLU . . . . . . . . 0 C--O 1.236 0.394 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.175 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -129.4 141.87 50.94 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-O 121.338 0.59 . . . . 0.0 111.273 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 85.4 mtm180 -70.01 -39.63 75.72 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-O 122.065 0.936 . . . . 0.0 110.014 179.416 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.569 ' O ' ' CD2' ' A' ' 3' ' ' PHE . 69.8 t80 32.75 64.11 0.28 Allowed 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 113.283 -1.78 . . . . 0.0 110.738 -176.717 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.681 ' O ' ' CD1' ' A' ' 4' ' ' TYR . 0.0 OUTLIER -109.18 86.48 2.29 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 120.134 -0.627 . . . . 0.0 110.371 178.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.571 ' C ' ' O ' ' A' ' 4' ' ' TYR . 3.5 tm-20 -23.98 126.86 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.104 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 -179.459 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.835 ' H ' ' HZ3' ' A' ' 6' ' ' LYS . 0.1 OUTLIER . . . . . 0 N--CA 1.472 0.626 0 CA-C-O 121.615 0.721 . . . . 0.0 111.817 -173.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' 4G6 . . . . . 0.599 ' CAE' ' O ' ' A' ' 8' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' DPR . . . . . 0.599 ' O ' ' CAE' ' A' ' 7' ' ' 4G6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.514 ' O ' ' O ' ' A' ' 8' ' ' DPR . 96.4 t . . . . . 0 N--CA 1.47 0.528 0 N-CA-C 112.17 0.433 . . . . 0.0 112.17 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.742 ' H ' ' NZ ' ' A' ' 11' ' ' LYS . 72.7 mt-30 . . . . . 0 N--CA 1.465 0.304 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.742 ' NZ ' ' H ' ' A' ' 10' ' ' GLN . 0.4 OUTLIER . . . . . 0 CA--C 1.539 0.528 0 N-CA-C 109.379 -0.601 . . . . 0.0 109.379 . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.499 ' CD1' ' N ' ' A' ' 12' ' ' PHE . 14.0 m-85 . . . . . 0 N--CA 1.467 0.4 0 CA-C-O 120.813 0.339 . . . . 0.0 110.858 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.471 ' CD1' ' C ' ' A' ' 13' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.466 0.368 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.46 ' HE ' ' CB ' ' A' ' 3' ' ' PHE . 12.6 tpt180 . . . . . 0 CA--C 1.532 0.267 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.103 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.126 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -146.4 142.93 28.68 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-O 120.975 0.417 . . . . 0.0 111.17 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.949 ' H ' ' NE ' ' A' ' 2' ' ' ARG . 0.0 OUTLIER -104.79 37.85 2.05 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 118.227 -0.892 . . . . 0.0 112.033 -179.91 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.61 ' C ' ' O ' ' A' ' 2' ' ' ARG . 42.9 t80 -23.32 95.66 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 107.876 -1.157 . . . . 0.0 107.876 177.039 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.524 ' N ' ' O ' ' A' ' 2' ' ' ARG . 22.2 t80 -105.11 117.51 34.2 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 119.581 -0.848 . . . . 0.0 111.666 -170.392 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -138.84 75.24 1.51 Allowed 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 178.186 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.423 ' O ' ' HAF' ' A' ' 7' ' ' 4G6 . 62.3 tttm . . . . . 0 CA--C 1.519 -0.216 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.423 -179.124 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' 4G6 . . . . . 0.54 ' CAE' ' O ' ' A' ' 8' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' DPR . . . . . 0.54 ' O ' ' CAE' ' A' ' 7' ' ' 4G6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.508 ' O ' ' C ' ' A' ' 8' ' ' DPR . 11.2 p . . . . . 0 CA--C 1.543 0.711 0 N-CA-C 111.829 0.307 . . . . 0.0 111.829 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.429 HE22 ' HD3' ' A' ' 8' ' ' DPR . 2.7 tm0? . . . . . 0 CA--C 1.534 0.335 0 N-CA-C 107.736 -1.209 . . . . 0.0 107.736 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.529 ' NZ ' ' HB2' ' A' ' 11' ' ' LYS . 4.5 ttmp? . . . . . 0 N--CA 1.448 -0.572 0 CA-C-O 121.067 0.461 . . . . 0.0 110.465 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.543 ' O ' ' NH2' ' A' ' 14' ' ' ARG . 4.2 p90 . . . . . 0 CA--C 1.518 -0.267 0 N-CA-C 114.499 1.296 . . . . 0.0 114.499 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.564 ' CD1' ' N ' ' A' ' 13' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.471 0.618 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.543 ' NH2' ' O ' ' A' ' 12' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.463 0.19 0 N-CA-C 112.402 0.519 . . . . 0.0 112.402 . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.21 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.069 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . 0.51 ' C ' ' H ' ' A' ' 3' ' ' PHE . 4.6 mm-40 -86.66 133.24 33.71 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.921 0.391 . . . . 0.0 110.274 . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.512 ' CD ' ' H ' ' A' ' 2' ' ' ARG . 0.0 OUTLIER -69.67 12.85 0.16 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.001 -179.276 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.51 ' H ' ' C ' ' A' ' 1' ' ' GLU . 0.7 OUTLIER -52.97 112.78 0.91 Allowed 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.641 -0.504 . . . . 0.0 109.641 -179.804 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.514 ' CD1' ' C ' ' A' ' 4' ' ' TYR . 4.7 p90 -148.0 159.51 43.81 Favored 'General case' 0 CA--C 1.517 -0.324 0 N-CA-C 107.495 -1.298 . . . . 0.0 107.495 177.479 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.441 ' OE2' ' O ' ' A' ' 4' ' ' TYR . 67.7 mm-40 -137.57 107.63 6.36 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 107.902 -1.147 . . . . 0.0 107.902 177.02 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.555 ' HB3' ' H ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER . . . . . 0 CA--C 1.504 -0.812 0 N-CA-C 113.678 0.992 . . . . 0.0 113.678 -178.653 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' 4G6 . . . . . 0.415 ' NAC' ' C ' ' A' ' 8' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' DPR . . . . . 0.453 ' O ' ' O ' ' A' ' 9' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.555 ' H ' ' HB3' ' A' ' 6' ' ' LYS . 29.6 m . . . . . 0 CA--C 1.553 1.067 0 N-CA-C 113.762 1.023 . . . . 0.0 113.762 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.417 ' O ' ' CG1' ' A' ' 9' ' ' VAL . 71.2 mt-30 . . . . . 0 N--CA 1.466 0.375 0 N-CA-C 110.574 -0.158 . . . . 0.0 110.574 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? . . . . . 0 CA--C 1.527 0.065 0 N-CA-C 110.013 -0.365 . . . . 0.0 110.013 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 8.9 m-30 . . . . . 0 N--CA 1.462 0.165 0 CA-C-O 120.739 0.304 . . . . 0.0 110.305 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.438 ' O ' ' O ' ' A' ' 3' ' ' PHE . 49.7 mm . . . . . 0 N--CA 1.47 0.568 0 CA-C-O 120.751 0.31 . . . . 0.0 111.355 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 79.7 mtp180 . . . . . 0 CA--C 1.516 -0.332 0 CA-C-O 121.177 0.513 . . . . 0.0 111.349 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.105 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.093 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . 0.723 ' OE1' ' N ' ' A' ' 1' ' ' GLU . 0.9 OUTLIER -152.92 -151.38 0.38 Allowed 'General case' 0 C--O 1.243 0.742 0 CA-C-O 120.974 0.416 . . . . 0.0 111.194 . . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 77.0 mtm180 -50.29 152.55 1.76 Allowed 'General case' 0 CA--C 1.506 -0.733 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 -178.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 55.0 t80 -174.83 92.66 0.07 Allowed 'General case' 0 C--N 1.315 -0.932 0 C-N-CA 120.108 -0.637 . . . . 0.0 112.702 178.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.504 ' CD1' ' C ' ' A' ' 4' ' ' TYR . 7.6 p90 -155.92 163.23 40.02 Favored 'General case' 0 CA--C 1.516 -0.343 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 178.215 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.408 ' N ' ' OE1' ' A' ' 10' ' ' GLN . 5.7 tp10 -126.15 110.71 13.8 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 108.112 -1.07 . . . . 0.0 108.112 176.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 63.8 tttp . . . . . 0 CA--C 1.515 -0.391 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 -179.292 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' 4G6 . . . . . 0.537 ' HAH' ' O ' ' A' ' 8' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' DPR . . . . . 0.537 ' O ' ' HAH' ' A' ' 7' ' ' 4G6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.507 ' O ' ' C ' ' A' ' 8' ' ' DPR . 7.2 p . . . . . 0 CA--C 1.542 0.635 0 CA-C-O 120.981 0.42 . . . . 0.0 111.43 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.471 ' OE1' ' O ' ' A' ' 11' ' ' LYS . 9.9 mm100 . . . . . 0 N--CA 1.468 0.43 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.471 ' O ' ' OE1' ' A' ' 10' ' ' GLN . 19.0 ptpt . . . . . 0 N--CA 1.468 0.454 0 CA-C-O 120.956 0.408 . . . . 0.0 110.867 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.494 ' CD1' ' C ' ' A' ' 13' ' ' ILE . 6.1 m-85 . . . . . 0 N--CA 1.473 0.714 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.494 ' C ' ' CD1' ' A' ' 12' ' ' PHE . 6.5 tp . . . . . 0 N--CA 1.487 1.411 0 N-CA-C 113.052 0.76 . . . . 0.0 113.052 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.574 ' N ' ' O ' ' A' ' 1' ' ' GLU . 57.0 ttp180 . . . . . 0 CA--C 1.516 -0.338 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ACE . . . . . 0.483 ' CH3' ' OE1' ' A' ' 1' ' ' GLU . . . . . . . . 0 C--O 1.23 0.05 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . 0.557 ' CH3' ' NH1' ' A' ' 14' ' ' ARG . . . . . . . . 0 C--O 1.233 0.184 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 55.32 -79.87 0.01 OUTLIER 'General case' 0 C--O 1.235 0.307 0 CA-C-O 120.591 0.234 . . . . 0.0 111.42 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.52 ' N ' ' O ' ' A' ' 0' ' ' ACE . 16.7 ptm180 -75.59 140.84 42.88 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-O 121.104 0.478 . . . . 0.0 111.522 -179.251 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.45 ' O ' ' HB2' ' A' ' 12' ' ' PHE . 55.6 t80 177.31 77.4 0.01 OUTLIER 'General case' 0 C--O 1.237 0.443 0 CA-C-N 115.144 -0.935 . . . . 0.0 110.26 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.51 ' CD1' ' C ' ' A' ' 4' ' ' TYR . 7.2 p90 -120.92 160.63 23.09 Favored 'General case' 0 CA--C 1.51 -0.595 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 -179.757 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -129.1 103.63 7.09 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.781 178.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 63.2 mttp . . . . . 0 CA--C 1.512 -0.519 0 CA-C-O 121.676 0.75 . . . . 0.0 109.022 177.609 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' 4G6 . . . . . 0.559 ' CAE' ' O ' ' A' ' 8' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' DPR . . . . . 0.559 ' O ' ' CAE' ' A' ' 7' ' ' 4G6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.476 ' O ' ' C ' ' A' ' 8' ' ' DPR . 7.2 p . . . . . 0 CA--C 1.548 0.882 0 N-CA-C 113.026 0.75 . . . . 0.0 113.026 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.611 ' C ' ' NE2' ' A' ' 10' ' ' GLN . 0.0 OUTLIER . . . . . 0 CA--C 1.529 0.163 0 N-CA-C 107.431 -1.322 . . . . 0.0 107.431 . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 61.6 mttp . . . . . 0 N--CA 1.472 0.657 0 CA-C-O 121.838 0.828 . . . . 0.0 112.863 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.45 ' HB2' ' O ' ' A' ' 3' ' ' PHE . 6.0 p90 . . . . . 0 N--CA 1.467 0.404 0 N-CA-C 113.884 1.068 . . . . 0.0 113.884 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 45.2 mm . . . . . 0 N--CA 1.469 0.514 0 N-CA-C 107.166 -1.42 . . . . 0.0 107.166 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.557 ' NH1' ' CH3' ' A' ' 0' ' ' ACE . 41.7 mmt180 . . . . . 0 CA--C 1.511 -0.542 0 CA-C-O 122.354 1.073 . . . . 0.0 112.907 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.181 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.061 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . 0.543 ' N ' ' O ' ' A' ' 15' ' ' ACE . 12.3 pt-20 -47.51 -33.88 6.86 Favored 'General case' 0 C--N 1.33 -0.253 0 O-C-N 123.124 0.265 . . . . 0.0 110.945 . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 16.9 ptm180 -98.27 25.91 5.83 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 112.444 0.535 . . . . 0.0 112.444 -179.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -60.74 127.1 29.97 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 119.343 -0.943 . . . . 0.0 110.702 -179.459 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.523 ' CD1' ' C ' ' A' ' 4' ' ' TYR . 6.7 p90 -153.29 162.33 41.41 Favored 'General case' 0 CA--C 1.514 -0.442 0 N-CA-C 107.109 -1.441 . . . . 0.0 107.109 177.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.511 ' OE2' ' CAB' ' A' ' 7' ' ' 4G6 . 2.8 tm-20 -138.62 111.85 8.01 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 105.75 -1.944 . . . . 0.0 105.75 177.215 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.9 tmtm? . . . . . 0 N--CA 1.467 0.4 0 CA-C-O 121.309 0.576 . . . . 0.0 110.028 -176.894 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' 4G6 . . . . . 0.511 ' CAB' ' OE2' ' A' ' 5' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' DPR . . . . . 0.495 ' C ' ' O ' ' A' ' 9' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.495 ' O ' ' C ' ' A' ' 8' ' ' DPR . 7.4 p . . . . . 0 CA--C 1.55 0.976 0 CA-C-O 121.143 0.497 . . . . 0.0 111.905 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 41.1 tt0 . . . . . 0 CA--C 1.535 0.396 0 CA-C-O 120.502 0.191 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.586 ' NZ ' ' O ' ' A' ' 12' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.473 0.719 0 N-CA-C 108.191 -1.04 . . . . 0.0 108.191 . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.586 ' O ' ' NZ ' ' A' ' 11' ' ' LYS . 11.7 m-30 . . . . . 0 N--CA 1.488 1.429 0 N-CA-C 113.125 0.787 . . . . 0.0 113.125 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.46 ' CD1' ' C ' ' A' ' 13' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.466 0.35 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 64.0 mtm-85 . . . . . 0 N--CA 1.465 0.315 0 CA-C-O 121.178 0.513 . . . . 0.0 111.653 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ACE . . . . . 0.543 ' O ' ' N ' ' A' ' 1' ' ' GLU . . . . . . . . 0 C--O 1.233 0.232 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 . . . . . 0 C--O 1.235 0.328 0 CA-C-O 120.89 0.376 . . . . 0.0 110.165 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 77.3 mtp180 -107.15 142.36 36.97 Favored 'General case' 0 CA--C 1.513 -0.479 0 CA-C-O 121.593 0.711 . . . . 0.0 112.802 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -167.5 127.09 1.38 Allowed 'General case' 0 N--CA 1.445 -0.717 0 CA-C-N 114.51 -1.223 . . . . 0.0 110.883 177.093 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.504 ' CD1' ' C ' ' A' ' 4' ' ' TYR . 8.4 p90 -158.31 158.7 34.86 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 107.536 -1.283 . . . . 0.0 107.536 177.259 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.503 ' H ' ' HA ' ' A' ' 10' ' ' GLN . 4.5 mm-40 -114.5 126.42 54.92 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 178.527 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 87.5 tttt . . . . . 0 CA--C 1.515 -0.375 0 N-CA-C 108.35 -0.981 . . . . 0.0 108.35 179.014 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 59.7 t . . . . . 0 N--CA 1.464 0.27 0 CA-C-O 120.037 -0.03 . . . . 0.0 111.045 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.503 ' HA ' ' H ' ' A' ' 5' ' ' GLU . 23.5 pt20 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 121.251 0.548 . . . . 0.0 110.914 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp . . . . . 0 N--CA 1.464 0.23 0 CA-C-O 121.543 0.687 . . . . 0.0 110.522 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 . . . . . 0 N--CA 1.463 0.189 0 CA-C-O 121.22 0.534 . . . . 0.0 111.627 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.797 ' N ' HD13 ' A' ' 13' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.468 0.436 0 CA-C-O 121.353 0.597 . . . . 0.0 112.425 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 1' ' ' GLU . . . . . 0.461 ' O ' ' O ' ' A' ' 2' ' ' ARG . 17.8 tp10 . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 119.729 -0.177 . . . . 0.0 111.42 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' ARG . . . . . 0.566 ' HA ' ' HE ' ' A' ' 2' ' ' ARG . 5.2 tpm_? -56.92 -114.44 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.345 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 -178.036 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 3' ' ' PHE . . . . . 0.502 ' O ' ' O ' ' A' ' 13' ' ' ILE . 6.7 m-85 53.13 74.03 0.32 Allowed 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 120.102 -0.639 . . . . 0.0 111.641 179.339 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.709 ' O ' ' N ' ' A' ' 6' ' ' LYS . 12.1 p90 -114.81 170.36 8.39 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.271 -179.004 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 4' ' ' TYR . 38.8 tt0 -2.14 -51.58 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.833 0 O-C-N 124.594 1.184 . . . . 0.0 113.913 179.147 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.709 ' N ' ' O ' ' A' ' 4' ' ' TYR . 40.0 ttpt . . . . . 0 C--N 1.324 -0.53 0 CA-C-O 121.125 0.488 . . . . 0.0 111.497 179.712 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.573 HG13 ' O ' ' A' ' 9' ' ' VAL . 13.3 p . . . . . 0 N--CA 1.472 0.671 0 N-CA-C 108.234 -1.024 . . . . 0.0 108.234 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.431 ' CB ' ' O ' ' A' ' 4' ' ' TYR . 0.0 OUTLIER . . . . . 0 CA--C 1.535 0.387 0 N-CA-C 112.569 0.581 . . . . 0.0 112.569 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.436 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 11.9 mptt . . . . . 0 C--O 1.239 0.541 0 N-CA-C 106.698 -1.593 . . . . 0.0 106.698 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 13.3 m-30 . . . . . 0 N--CA 1.474 0.741 0 N-CA-C 113.864 1.061 . . . . 0.0 113.864 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.502 ' O ' ' O ' ' A' ' 3' ' ' PHE . 29.1 pt . . . . . 0 N--CA 1.48 1.039 0 CA-C-O 121.551 0.691 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 1' ' ' GLU . . . . . 0.63 ' C ' ' HE ' ' A' ' 2' ' ' ARG . 12.2 pt-20 . . . . . 0 CA--C 1.53 0.194 0 CA-C-O 120.846 0.355 . . . . 0.0 110.788 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' ARG . . . . . 0.817 ' N ' ' HE ' ' A' ' 2' ' ' ARG . 0.0 OUTLIER -62.37 167.44 4.2 Favored 'General case' 0 CA--C 1.503 -0.837 0 CA-C-O 122.566 1.174 . . . . 0.0 112.124 -179.215 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 61.9 t80 90.48 91.47 0.02 OUTLIER 'General case' 0 C--N 1.306 -1.292 0 CA-C-N 111.538 -2.574 . . . . 0.0 111.038 -179.338 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.481 ' CD1' ' C ' ' A' ' 4' ' ' TYR . 20.6 p90 -165.88 158.51 15.0 Favored 'General case' 0 N--CA 1.444 -0.767 0 C-N-CA 119.606 -0.838 . . . . 0.0 110.201 179.354 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.427 ' CD ' ' C ' ' A' ' 5' ' ' GLU . 3.2 tm-20 -117.59 99.24 6.84 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 106.698 -1.593 . . . . 0.0 106.698 177.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.492 ' HB3' ' NZ ' ' A' ' 6' ' ' LYS . 5.5 ttpm? . . . . . 0 N--CA 1.465 0.279 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.762 -178.001 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.569 HG13 ' O ' ' A' ' 9' ' ' VAL . 7.1 p . . . . . 0 CA--C 1.546 0.802 0 N-CA-C 112.928 0.714 . . . . 0.0 112.928 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.41 ' HB3' ' H ' ' A' ' 5' ' ' GLU . 2.3 pp0? . . . . . 0 N--CA 1.464 0.233 0 CA-C-O 120.818 0.342 . . . . 0.0 111.734 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.4 pttp . . . . . 0 C--O 1.223 -0.316 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 . . . . . 0 CA--C 1.519 -0.229 0 CA-C-O 121.552 0.692 . . . . 0.0 111.204 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.406 HD13 HG21 ' A' ' 13' ' ' ILE . 13.7 tt . . . . . 0 N--CA 1.476 0.85 0 CA-C-O 121.194 0.521 . . . . 0.0 110.645 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 1' ' ' GLU . . . . . 0.481 ' HG2' ' H ' ' A' ' 3' ' ' PHE . 39.3 tt0 . . . . . 0 C--O 1.236 0.387 0 N-CA-C 107.363 -1.347 . . . . 0.0 107.363 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' ARG . . . . . 0.681 ' O ' ' N ' ' A' ' 4' ' ' TYR . 0.0 OUTLIER -62.29 -16.26 52.82 Favored 'General case' 0 CA--C 1.514 -0.422 0 N-CA-C 112.58 0.585 . . . . 0.0 112.58 -174.801 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 3' ' ' PHE . . . . . 0.481 ' H ' ' HG2' ' A' ' 1' ' ' GLU . 46.3 t80 -18.49 71.3 0.0 OUTLIER 'General case' 0 CA--C 1.547 0.846 0 O-C-N 124.747 1.279 . . . . 0.0 111.349 -177.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.681 ' N ' ' O ' ' A' ' 2' ' ' ARG . 5.5 p90 -111.43 154.73 24.24 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 118.123 0.419 . . . . 0.0 111.861 -176.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.658 ' O ' HG23 ' A' ' 9' ' ' VAL . 15.5 pt-20 -8.43 -46.17 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 115.335 1.606 . . . . 0.0 115.335 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.629 ' N ' ' O ' ' A' ' 4' ' ' TYR . 62.0 mttp . . . . . 0 C--N 1.314 -0.952 0 CA-C-N 118.122 0.419 . . . . 0.0 110.494 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.658 HG23 ' O ' ' A' ' 5' ' ' GLU . 61.9 t . . . . . 0 N--CA 1.464 0.246 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.451 ' HB3' ' CE1' ' A' ' 3' ' ' PHE . 53.6 tt0 . . . . . 0 N--CA 1.463 0.175 0 CA-C-O 121.398 0.618 . . . . 0.0 111.877 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.3 pttp . . . . . 0 N--CA 1.481 1.106 0 N-CA-C 112.642 0.608 . . . . 0.0 112.642 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.55 ' N ' ' CD1' ' A' ' 12' ' ' PHE . 0.0 OUTLIER . . . . . 0 CA--C 1.538 0.486 0 N-CA-C 115.042 1.497 . . . . 0.0 115.042 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.645 ' C ' HD13 ' A' ' 13' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.43 0 CA-C-O 120.464 0.173 . . . . 0.0 111.348 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 . . . . . 0 N--CA 1.471 0.606 0 CA-C-O 121.338 0.59 . . . . 0.0 111.273 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 85.4 mtm180 -70.01 -39.63 75.72 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-O 122.065 0.936 . . . . 0.0 110.014 179.416 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' PHE . . . . . 0.569 ' CD2' ' O ' ' A' ' 3' ' ' PHE . 69.8 t80 32.75 64.11 0.28 Allowed 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 113.283 -1.78 . . . . 0.0 110.738 -176.717 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.681 ' O ' ' CD1' ' A' ' 4' ' ' TYR . 0.0 OUTLIER -109.18 86.48 2.29 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 120.134 -0.627 . . . . 0.0 110.371 178.991 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.571 ' C ' ' O ' ' A' ' 4' ' ' TYR . 3.5 tm-20 -23.98 126.86 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.104 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 -179.459 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.894 ' H ' ' HZ2' ' A' ' 6' ' ' LYS . 0.1 OUTLIER . . . . . 0 N--CA 1.472 0.626 0 CA-C-O 121.615 0.721 . . . . 0.0 111.817 -173.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 96.4 t . . . . . 0 N--CA 1.47 0.528 0 N-CA-C 112.17 0.433 . . . . 0.0 112.17 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.752 ' N ' ' HZ3' ' A' ' 11' ' ' LYS . 72.7 mt-30 . . . . . 0 N--CA 1.465 0.304 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.752 ' HZ3' ' N ' ' A' ' 10' ' ' GLN . 0.4 OUTLIER . . . . . 0 CA--C 1.539 0.528 0 N-CA-C 109.379 -0.601 . . . . 0.0 109.379 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.615 ' N ' HD13 ' A' ' 13' ' ' ILE . 14.0 m-85 . . . . . 0 N--CA 1.467 0.4 0 CA-C-O 120.813 0.339 . . . . 0.0 110.858 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.674 HD13 ' C ' ' A' ' 13' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.466 0.368 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 . . . . . 0 C--O 1.237 0.425 0 CA-C-O 120.975 0.417 . . . . 0.0 111.17 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' ARG . . . . . 1.047 ' NE ' ' H ' ' A' ' 2' ' ' ARG . 0.0 OUTLIER -104.79 37.85 2.05 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 118.227 -0.892 . . . . 0.0 112.033 -179.91 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 3' ' ' PHE . . . . . 0.61 ' C ' ' O ' ' A' ' 2' ' ' ARG . 42.9 t80 -23.32 95.66 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 107.876 -1.157 . . . . 0.0 107.876 177.039 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.524 ' N ' ' O ' ' A' ' 2' ' ' ARG . 22.2 t80 -105.11 117.51 34.2 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 119.581 -0.848 . . . . 0.0 111.666 -170.392 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -138.84 75.24 1.51 Allowed 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 178.186 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 62.3 tttm . . . . . 0 CA--C 1.519 -0.216 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.423 -179.124 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.689 HG13 ' O ' ' A' ' 9' ' ' VAL . 11.2 p . . . . . 0 CA--C 1.543 0.711 0 N-CA-C 111.829 0.307 . . . . 0.0 111.829 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.408 ' CD ' ' C ' ' A' ' 10' ' ' GLN . 2.7 tm0? . . . . . 0 CA--C 1.534 0.335 0 N-CA-C 107.736 -1.209 . . . . 0.0 107.736 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.577 ' NZ ' ' HB2' ' A' ' 11' ' ' LYS . 4.5 ttmp? . . . . . 0 N--CA 1.448 -0.572 0 CA-C-O 121.067 0.461 . . . . 0.0 110.465 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.563 ' HB2' ' O ' ' A' ' 3' ' ' PHE . 4.2 p90 . . . . . 0 CA--C 1.518 -0.267 0 N-CA-C 114.499 1.296 . . . . 0.0 114.499 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.759 ' N ' HD13 ' A' ' 13' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.471 0.618 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 1' ' ' GLU . . . . . 0.491 ' C ' ' H ' ' A' ' 3' ' ' PHE . 4.6 mm-40 . . . . . 0 N--CA 1.464 0.268 0 CA-C-O 120.921 0.391 . . . . 0.0 110.274 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' ARG . . . . . 0.604 ' CD ' ' H ' ' A' ' 2' ' ' ARG . 0.0 OUTLIER -69.67 12.85 0.16 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.001 -179.276 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 3' ' ' PHE . . . . . 0.491 ' H ' ' C ' ' A' ' 1' ' ' GLU . 0.7 OUTLIER -52.97 112.78 0.91 Allowed 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.641 -0.504 . . . . 0.0 109.641 -179.804 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.514 ' CD1' ' C ' ' A' ' 4' ' ' TYR . 4.7 p90 -148.0 159.51 43.81 Favored 'General case' 0 CA--C 1.517 -0.324 0 N-CA-C 107.495 -1.298 . . . . 0.0 107.495 177.479 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.441 ' OE2' ' O ' ' A' ' 4' ' ' TYR . 67.7 mm-40 -137.57 107.63 6.36 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 107.902 -1.147 . . . . 0.0 107.902 177.02 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.436 ' C ' ' HD2' ' A' ' 6' ' ' LYS . 0.0 OUTLIER . . . . . 0 CA--C 1.504 -0.812 0 N-CA-C 113.678 0.992 . . . . 0.0 113.678 -178.653 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.486 HG13 ' O ' ' A' ' 10' ' ' GLN . 29.6 m . . . . . 0 CA--C 1.553 1.067 0 N-CA-C 113.762 1.023 . . . . 0.0 113.762 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.486 ' O ' HG13 ' A' ' 9' ' ' VAL . 71.2 mt-30 . . . . . 0 N--CA 1.466 0.375 0 N-CA-C 110.574 -0.158 . . . . 0.0 110.574 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? . . . . . 0 CA--C 1.527 0.065 0 N-CA-C 110.013 -0.365 . . . . 0.0 110.013 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 8.9 m-30 . . . . . 0 N--CA 1.462 0.165 0 CA-C-O 120.739 0.304 . . . . 0.0 110.305 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.438 ' O ' ' O ' ' A' ' 3' ' ' PHE . 49.7 mm . . . . . 0 N--CA 1.47 0.568 0 CA-C-O 120.751 0.31 . . . . 0.0 111.355 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 1' ' ' GLU . . . . . 0.723 ' OE1' ' N ' ' A' ' 1' ' ' GLU . 0.9 OUTLIER . . . . . 0 C--O 1.243 0.742 0 CA-C-O 120.974 0.416 . . . . 0.0 111.194 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 77.0 mtm180 -50.29 152.55 1.76 Allowed 'General case' 0 CA--C 1.506 -0.733 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 -178.824 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 55.0 t80 -174.83 92.66 0.07 Allowed 'General case' 0 C--N 1.315 -0.932 0 C-N-CA 120.108 -0.637 . . . . 0.0 112.702 178.683 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.504 ' CD1' ' C ' ' A' ' 4' ' ' TYR . 7.6 p90 -155.92 163.23 40.02 Favored 'General case' 0 CA--C 1.516 -0.343 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 178.215 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.408 ' N ' ' OE1' ' A' ' 10' ' ' GLN . 5.7 tp10 -126.15 110.71 13.8 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 108.112 -1.07 . . . . 0.0 108.112 176.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 63.8 tttp . . . . . 0 CA--C 1.515 -0.391 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 -179.292 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.541 HG13 ' O ' ' A' ' 9' ' ' VAL . 7.2 p . . . . . 0 CA--C 1.542 0.635 0 CA-C-O 120.981 0.42 . . . . 0.0 111.43 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.471 ' OE1' ' O ' ' A' ' 11' ' ' LYS . 9.9 mm100 . . . . . 0 N--CA 1.468 0.43 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.471 ' O ' ' OE1' ' A' ' 10' ' ' GLN . 19.0 ptpt . . . . . 0 N--CA 1.468 0.454 0 CA-C-O 120.956 0.408 . . . . 0.0 110.867 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.494 ' CD1' ' C ' ' A' ' 13' ' ' ILE . 6.1 m-85 . . . . . 0 N--CA 1.473 0.714 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.494 ' C ' ' CD1' ' A' ' 12' ' ' PHE . 6.5 tp . . . . . 0 N--CA 1.487 1.411 0 N-CA-C 113.052 0.76 . . . . 0.0 113.052 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 . . . . . 0 C--O 1.235 0.307 0 CA-C-O 120.591 0.234 . . . . 0.0 111.42 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 16.7 ptm180 -75.59 140.84 42.88 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-O 121.104 0.478 . . . . 0.0 111.522 -179.251 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' PHE . . . . . 0.484 ' O ' ' HB2' ' A' ' 12' ' ' PHE . 55.6 t80 177.31 77.4 0.01 OUTLIER 'General case' 0 C--O 1.237 0.443 0 CA-C-N 115.144 -0.935 . . . . 0.0 110.26 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.51 ' CD1' ' C ' ' A' ' 4' ' ' TYR . 7.2 p90 -120.92 160.63 23.09 Favored 'General case' 0 CA--C 1.51 -0.595 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 -179.757 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -129.1 103.63 7.09 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.781 178.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 63.2 mttp . . . . . 0 CA--C 1.512 -0.519 0 CA-C-O 121.676 0.75 . . . . 0.0 109.022 177.609 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.566 HG13 ' O ' ' A' ' 9' ' ' VAL . 7.2 p . . . . . 0 CA--C 1.548 0.882 0 N-CA-C 113.026 0.75 . . . . 0.0 113.026 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.457 ' OE1' ' C ' ' A' ' 10' ' ' GLN . 9.5 tm0? . . . . . 0 CA--C 1.529 0.163 0 N-CA-C 107.431 -1.322 . . . . 0.0 107.431 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 61.6 mttp . . . . . 0 N--CA 1.472 0.657 0 CA-C-O 121.838 0.828 . . . . 0.0 112.863 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.484 ' HB2' ' O ' ' A' ' 3' ' ' PHE . 6.0 p90 . . . . . 0 N--CA 1.467 0.404 0 N-CA-C 113.884 1.068 . . . . 0.0 113.884 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 45.2 mm . . . . . 0 N--CA 1.469 0.514 0 N-CA-C 107.166 -1.42 . . . . 0.0 107.166 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' GLU . . . . . 0.488 ' O ' HG22 ' A' ' 13' ' ' ILE . 12.3 pt-20 . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.602 0.239 . . . . 0.0 110.945 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 16.9 ptm180 -98.27 25.91 5.83 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 112.444 0.535 . . . . 0.0 112.444 -179.482 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -60.74 127.1 29.97 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 119.343 -0.943 . . . . 0.0 110.702 -179.459 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.523 ' CD1' ' C ' ' A' ' 4' ' ' TYR . 6.7 p90 -153.29 162.33 41.41 Favored 'General case' 0 CA--C 1.514 -0.442 0 N-CA-C 107.109 -1.441 . . . . 0.0 107.109 177.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.417 ' CD ' ' C ' ' A' ' 5' ' ' GLU . 2.8 tm-20 -138.62 111.85 8.01 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 105.75 -1.944 . . . . 0.0 105.75 177.215 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.414 ' C ' ' HD3' ' A' ' 6' ' ' LYS . 3.9 tmtm? . . . . . 0 N--CA 1.467 0.4 0 CA-C-O 121.309 0.576 . . . . 0.0 110.028 -176.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.536 HG13 ' O ' ' A' ' 9' ' ' VAL . 7.4 p . . . . . 0 CA--C 1.55 0.976 0 CA-C-O 121.143 0.497 . . . . 0.0 111.905 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 41.1 tt0 . . . . . 0 CA--C 1.535 0.396 0 CA-C-O 120.502 0.191 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.574 ' NZ ' ' O ' ' A' ' 12' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.473 0.719 0 N-CA-C 108.191 -1.04 . . . . 0.0 108.191 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.574 ' O ' ' NZ ' ' A' ' 11' ' ' LYS . 11.7 m-30 . . . . . 0 N--CA 1.488 1.429 0 N-CA-C 113.125 0.787 . . . . 0.0 113.125 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.647 HD13 ' C ' ' A' ' 13' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.466 0.35 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 0' ' ' ACE . . . . . 0.65 ' H1 ' ' O ' ' A' ' 15' ' ' ACE . . . . . . . . 0 C--O 1.231 0.109 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -81.7 133.66 35.38 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 120.89 0.376 . . . . 0.0 110.165 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 77.3 mtp180 -107.15 142.36 36.97 Favored 'General case' 0 CA--C 1.513 -0.479 0 CA-C-O 121.593 0.711 . . . . 0.0 112.802 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -167.5 127.09 1.38 Allowed 'General case' 0 N--CA 1.445 -0.717 0 CA-C-N 114.51 -1.223 . . . . 0.0 110.883 177.093 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.504 ' CD1' ' C ' ' A' ' 4' ' ' TYR . 8.4 p90 -158.31 158.7 34.86 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 107.536 -1.283 . . . . 0.0 107.536 177.259 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.503 ' H ' ' HA ' ' A' ' 10' ' ' GLN . 4.5 mm-40 -114.5 126.42 54.92 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 178.527 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 87.5 tttt . . . . . 0 CA--C 1.515 -0.375 0 N-CA-C 108.35 -0.981 . . . . 0.0 108.35 179.014 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 7' ' ' 4G6 . . . . . 0.571 ' CAE' ' O ' ' A' ' 8' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' DPR . . . . . 0.571 ' O ' ' CAE' ' A' ' 7' ' ' 4G6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.533 ' O ' ' C ' ' A' ' 8' ' ' DPR . 59.7 t . . . . . 0 N--CA 1.464 0.27 0 CA-C-O 120.037 -0.03 . . . . 0.0 111.045 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.503 ' HA ' ' H ' ' A' ' 5' ' ' GLU . 23.5 pt20 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 121.251 0.548 . . . . 0.0 110.914 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp . . . . . 0 N--CA 1.464 0.23 0 CA-C-O 121.543 0.687 . . . . 0.0 110.522 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 . . . . . 0 N--CA 1.463 0.189 0 CA-C-O 121.22 0.534 . . . . 0.0 111.627 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.797 ' N ' HD13 ' A' ' 13' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.468 0.436 0 CA-C-O 121.353 0.597 . . . . 0.0 112.425 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 16.6 ptm180 . . . . . 0 N--CA 1.461 0.1 0 CA-C-O 120.68 0.276 . . . . 0.0 110.464 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ACE . . . . . 0.65 ' O ' ' H1 ' ' A' ' 0' ' ' ACE . . . . . . . . 0 C--O 1.23 0.052 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.093 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLU . . . . . 0.461 ' O ' ' O ' ' A' ' 2' ' ' ARG . 17.8 tp10 -38.4 -44.67 0.94 Allowed 'General case' 0 N--CA 1.453 -0.31 0 O-C-N 123.146 0.279 . . . . 0.0 111.42 . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.566 ' HA ' ' HE ' ' A' ' 2' ' ' ARG . 5.2 tpm_? -56.92 -114.44 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.345 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 -178.036 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.502 ' O ' ' O ' ' A' ' 13' ' ' ILE . 6.7 m-85 53.13 74.03 0.32 Allowed 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 120.102 -0.639 . . . . 0.0 111.641 179.339 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.709 ' O ' ' N ' ' A' ' 6' ' ' LYS . 12.1 p90 -114.81 170.36 8.39 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.271 -179.004 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 4' ' ' TYR . 38.8 tt0 -2.14 -51.58 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.833 0 O-C-N 124.594 1.184 . . . . 0.0 113.913 179.147 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.709 ' N ' ' O ' ' A' ' 4' ' ' TYR . 40.0 ttpt . . . . . 0 C--N 1.324 -0.53 0 CA-C-O 121.125 0.488 . . . . 0.0 111.497 179.712 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' 4G6 . . . . . 0.533 ' CAA' ' O ' ' A' ' 8' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' DPR . . . . . 0.533 ' O ' ' CAA' ' A' ' 7' ' ' 4G6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.573 HG13 ' O ' ' A' ' 9' ' ' VAL . 13.3 p . . . . . 0 N--CA 1.472 0.671 0 N-CA-C 108.234 -1.024 . . . . 0.0 108.234 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.528 ' O ' ' NE2' ' A' ' 10' ' ' GLN . 3.0 pp0? . . . . . 0 CA--C 1.535 0.387 0 N-CA-C 112.569 0.581 . . . . 0.0 112.569 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.436 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 11.9 mptt . . . . . 0 C--O 1.239 0.541 0 N-CA-C 106.698 -1.593 . . . . 0.0 106.698 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 13.3 m-30 . . . . . 0 N--CA 1.474 0.741 0 N-CA-C 113.864 1.061 . . . . 0.0 113.864 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.502 ' O ' ' O ' ' A' ' 3' ' ' PHE . 29.1 pt . . . . . 0 N--CA 1.48 1.039 0 CA-C-O 121.551 0.691 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 77.7 mtp180 . . . . . 0 CA--C 1.514 -0.421 0 CA-C-O 120.677 0.275 . . . . 0.0 111.316 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.237 0.405 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 0' ' ' ACE . . . . . 0.526 ' H1 ' ' H3 ' ' A' ' 15' ' ' ACE . . . . . . . . 0 C--O 1.231 0.081 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLU . . . . . 0.63 ' C ' ' HE ' ' A' ' 2' ' ' ARG . 12.2 pt-20 -161.88 22.98 0.11 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.846 0.355 . . . . 0.0 110.788 . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.817 ' HE ' ' N ' ' A' ' 2' ' ' ARG . 0.0 OUTLIER -62.37 167.44 4.2 Favored 'General case' 0 CA--C 1.503 -0.837 0 CA-C-O 122.566 1.174 . . . . 0.0 112.124 -179.215 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.405 ' CG ' ' NH2' ' A' ' 14' ' ' ARG . 61.9 t80 90.48 91.47 0.02 OUTLIER 'General case' 0 C--N 1.306 -1.292 0 CA-C-N 111.538 -2.574 . . . . 0.0 111.038 -179.338 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.481 ' C ' ' CD1' ' A' ' 4' ' ' TYR . 20.6 p90 -165.88 158.51 15.0 Favored 'General case' 0 N--CA 1.444 -0.767 0 C-N-CA 119.606 -0.838 . . . . 0.0 110.201 179.354 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.447 ' OE2' ' CAB' ' A' ' 7' ' ' 4G6 . 3.2 tm-20 -117.59 99.24 6.84 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 106.698 -1.593 . . . . 0.0 106.698 177.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.492 ' HB3' ' NZ ' ' A' ' 6' ' ' LYS . 5.5 ttpm? . . . . . 0 N--CA 1.465 0.279 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.762 -178.001 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' 4G6 . . . . . 0.447 ' CAB' ' OE2' ' A' ' 5' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' DPR . . . . . 0.472 ' C ' ' O ' ' A' ' 9' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.569 ' O ' HG13 ' A' ' 9' ' ' VAL . 7.1 p . . . . . 0 CA--C 1.546 0.802 0 N-CA-C 112.928 0.714 . . . . 0.0 112.928 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.41 ' HB3' ' H ' ' A' ' 5' ' ' GLU . 2.3 pp0? . . . . . 0 N--CA 1.464 0.233 0 CA-C-O 120.818 0.342 . . . . 0.0 111.734 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.4 pttp . . . . . 0 C--O 1.223 -0.316 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.472 ' CZ ' ' NH2' ' A' ' 14' ' ' ARG . 7.6 m-85 . . . . . 0 CA--C 1.519 -0.229 0 CA-C-O 121.552 0.692 . . . . 0.0 111.204 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.406 HD13 HG21 ' A' ' 13' ' ' ILE . 13.7 tt . . . . . 0 N--CA 1.476 0.85 0 CA-C-O 121.194 0.521 . . . . 0.0 110.645 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.472 ' NH2' ' CZ ' ' A' ' 12' ' ' PHE . 79.3 mtp180 . . . . . 0 N--CA 1.463 0.215 0 CA-C-O 120.819 0.342 . . . . 0.0 111.196 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ACE . . . . . 0.526 ' H3 ' ' H1 ' ' A' ' 0' ' ' ACE . . . . . . . . 0 C--O 1.231 0.125 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 0' ' ' ACE . . . . . 0.677 ' H2 ' ' NH1' ' A' ' 14' ' ' ARG . . . . . . . . 0 C--O 1.231 0.097 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLU . . . . . 0.481 ' HG2' ' H ' ' A' ' 3' ' ' PHE . 39.3 tt0 -143.31 129.08 19.36 Favored 'General case' 0 C--O 1.236 0.387 0 N-CA-C 107.363 -1.347 . . . . 0.0 107.363 . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.681 ' O ' ' N ' ' A' ' 4' ' ' TYR . 0.0 OUTLIER -62.29 -16.26 52.82 Favored 'General case' 0 CA--C 1.514 -0.422 0 N-CA-C 112.58 0.585 . . . . 0.0 112.58 -174.801 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.481 ' H ' ' HG2' ' A' ' 1' ' ' GLU . 46.3 t80 -18.49 71.3 0.0 OUTLIER 'General case' 0 CA--C 1.547 0.846 0 O-C-N 124.747 1.279 . . . . 0.0 111.349 -177.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.681 ' N ' ' O ' ' A' ' 2' ' ' ARG . 5.5 p90 -111.43 154.73 24.24 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 118.123 0.419 . . . . 0.0 111.861 -176.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.658 ' O ' HG23 ' A' ' 9' ' ' VAL . 15.5 pt-20 -8.43 -46.17 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 115.335 1.606 . . . . 0.0 115.335 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.629 ' N ' ' O ' ' A' ' 4' ' ' TYR . 62.0 mttp . . . . . 0 C--N 1.314 -0.952 0 CA-C-N 118.122 0.419 . . . . 0.0 110.494 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' 4G6 . . . . . 0.506 ' CAA' ' O ' ' A' ' 8' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' DPR . . . . . 0.506 ' O ' ' CAA' ' A' ' 7' ' ' 4G6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.658 HG23 ' O ' ' A' ' 5' ' ' GLU . 61.9 t . . . . . 0 N--CA 1.464 0.246 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.451 ' HB3' ' CE1' ' A' ' 3' ' ' PHE . 53.6 tt0 . . . . . 0 N--CA 1.463 0.175 0 CA-C-O 121.398 0.618 . . . . 0.0 111.877 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.3 pttp . . . . . 0 N--CA 1.481 1.106 0 N-CA-C 112.642 0.608 . . . . 0.0 112.642 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.55 ' N ' ' CD1' ' A' ' 12' ' ' PHE . 0.0 OUTLIER . . . . . 0 CA--C 1.538 0.486 0 N-CA-C 115.042 1.497 . . . . 0.0 115.042 . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.645 ' C ' HD13 ' A' ' 13' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.43 0 CA-C-O 120.464 0.173 . . . . 0.0 111.348 . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.677 ' NH1' ' H2 ' ' A' ' 0' ' ' ACE . 4.9 tpm_? . . . . . 0 N--CA 1.461 0.116 0 N-CA-C 111.898 0.333 . . . . 0.0 111.898 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ACE . . . . . 0.434 ' O ' ' O ' ' A' ' 1' ' ' GLU . . . . . . . . 0 C--O 1.236 0.394 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.175 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -129.4 141.87 50.94 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-O 121.338 0.59 . . . . 0.0 111.273 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 85.4 mtm180 -70.01 -39.63 75.72 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-O 122.065 0.936 . . . . 0.0 110.014 179.416 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.569 ' O ' ' CD2' ' A' ' 3' ' ' PHE . 69.8 t80 32.75 64.11 0.28 Allowed 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 113.283 -1.78 . . . . 0.0 110.738 -176.717 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.681 ' CD1' ' O ' ' A' ' 4' ' ' TYR . 0.0 OUTLIER -109.18 86.48 2.29 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 120.134 -0.627 . . . . 0.0 110.371 178.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.571 ' C ' ' O ' ' A' ' 4' ' ' TYR . 3.5 tm-20 -23.98 126.86 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.104 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 -179.459 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.894 ' H ' ' HZ2' ' A' ' 6' ' ' LYS . 0.1 OUTLIER . . . . . 0 N--CA 1.472 0.626 0 CA-C-O 121.615 0.721 . . . . 0.0 111.817 -173.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' 4G6 . . . . . 0.599 ' CAE' ' O ' ' A' ' 8' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' DPR . . . . . 0.599 ' O ' ' CAE' ' A' ' 7' ' ' 4G6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.514 ' O ' ' O ' ' A' ' 8' ' ' DPR . 96.4 t . . . . . 0 N--CA 1.47 0.528 0 N-CA-C 112.17 0.433 . . . . 0.0 112.17 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.752 ' N ' ' HZ3' ' A' ' 11' ' ' LYS . 72.7 mt-30 . . . . . 0 N--CA 1.465 0.304 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.752 ' HZ3' ' N ' ' A' ' 10' ' ' GLN . 0.4 OUTLIER . . . . . 0 CA--C 1.539 0.528 0 N-CA-C 109.379 -0.601 . . . . 0.0 109.379 . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.615 ' N ' HD13 ' A' ' 13' ' ' ILE . 14.0 m-85 . . . . . 0 N--CA 1.467 0.4 0 CA-C-O 120.813 0.339 . . . . 0.0 110.858 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.674 ' C ' HD13 ' A' ' 13' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.466 0.368 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.496 ' HE ' ' CB ' ' A' ' 3' ' ' PHE . 12.6 tpt180 . . . . . 0 CA--C 1.532 0.267 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.103 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 0' ' ' ACE . . . . . 0.557 ' H2 ' ' O ' ' A' ' 15' ' ' ACE . . . . . . . . 0 C--O 1.231 0.126 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -146.4 142.93 28.68 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-O 120.975 0.417 . . . . 0.0 111.17 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 1.047 ' NE ' ' H ' ' A' ' 2' ' ' ARG . 0.0 OUTLIER -104.79 37.85 2.05 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 118.227 -0.892 . . . . 0.0 112.033 -179.91 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.61 ' C ' ' O ' ' A' ' 2' ' ' ARG . 42.9 t80 -23.32 95.66 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 107.876 -1.157 . . . . 0.0 107.876 177.039 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.524 ' N ' ' O ' ' A' ' 2' ' ' ARG . 22.2 t80 -105.11 117.51 34.2 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 119.581 -0.848 . . . . 0.0 111.666 -170.392 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -138.84 75.24 1.51 Allowed 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 178.186 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 62.3 tttm . . . . . 0 CA--C 1.519 -0.216 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.423 -179.124 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 7' ' ' 4G6 . . . . . 0.54 ' CAE' ' O ' ' A' ' 8' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' DPR . . . . . 0.54 ' O ' ' CAE' ' A' ' 7' ' ' 4G6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.689 ' O ' HG13 ' A' ' 9' ' ' VAL . 11.2 p . . . . . 0 CA--C 1.543 0.711 0 N-CA-C 111.829 0.307 . . . . 0.0 111.829 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.43 HE22 ' HD3' ' A' ' 8' ' ' DPR . 2.7 tm0? . . . . . 0 CA--C 1.534 0.335 0 N-CA-C 107.736 -1.209 . . . . 0.0 107.736 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.577 ' NZ ' ' HB2' ' A' ' 11' ' ' LYS . 4.5 ttmp? . . . . . 0 N--CA 1.448 -0.572 0 CA-C-O 121.067 0.461 . . . . 0.0 110.465 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.563 ' HB2' ' O ' ' A' ' 3' ' ' PHE . 4.2 p90 . . . . . 0 CA--C 1.518 -0.267 0 N-CA-C 114.499 1.296 . . . . 0.0 114.499 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.759 HD13 ' N ' ' A' ' 13' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.471 0.618 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.543 ' NH2' ' O ' ' A' ' 12' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.463 0.19 0 N-CA-C 112.402 0.519 . . . . 0.0 112.402 . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ACE . . . . . 0.557 ' O ' ' H2 ' ' A' ' 0' ' ' ACE . . . . . . . . 0 C--O 1.233 0.21 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 0' ' ' ACE . . . . . 0.565 ' H1 ' ' O ' ' A' ' 15' ' ' ACE . . . . . . . . 0 C--O 1.23 0.069 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLU . . . . . 0.491 ' C ' ' H ' ' A' ' 3' ' ' PHE . 4.6 mm-40 -86.66 133.24 33.71 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.921 0.391 . . . . 0.0 110.274 . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.604 ' CD ' ' H ' ' A' ' 2' ' ' ARG . 0.0 OUTLIER -69.67 12.85 0.16 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.001 -179.276 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.491 ' H ' ' C ' ' A' ' 1' ' ' GLU . 0.7 OUTLIER -52.97 112.78 0.91 Allowed 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.641 -0.504 . . . . 0.0 109.641 -179.804 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.514 ' CD1' ' C ' ' A' ' 4' ' ' TYR . 4.7 p90 -148.0 159.51 43.81 Favored 'General case' 0 CA--C 1.517 -0.324 0 N-CA-C 107.495 -1.298 . . . . 0.0 107.495 177.479 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.441 ' OE2' ' O ' ' A' ' 4' ' ' TYR . 67.7 mm-40 -137.57 107.63 6.36 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 107.902 -1.147 . . . . 0.0 107.902 177.02 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.436 ' C ' ' HD2' ' A' ' 6' ' ' LYS . 0.0 OUTLIER . . . . . 0 CA--C 1.504 -0.812 0 N-CA-C 113.678 0.992 . . . . 0.0 113.678 -178.653 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' 4G6 . . . . . 0.415 ' NAC' ' C ' ' A' ' 8' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' DPR . . . . . 0.453 ' O ' ' O ' ' A' ' 9' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.486 HG13 ' O ' ' A' ' 10' ' ' GLN . 29.6 m . . . . . 0 CA--C 1.553 1.067 0 N-CA-C 113.762 1.023 . . . . 0.0 113.762 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.486 ' O ' HG13 ' A' ' 9' ' ' VAL . 71.2 mt-30 . . . . . 0 N--CA 1.466 0.375 0 N-CA-C 110.574 -0.158 . . . . 0.0 110.574 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? . . . . . 0 CA--C 1.527 0.065 0 N-CA-C 110.013 -0.365 . . . . 0.0 110.013 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 8.9 m-30 . . . . . 0 N--CA 1.462 0.165 0 CA-C-O 120.739 0.304 . . . . 0.0 110.305 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.438 ' O ' ' O ' ' A' ' 3' ' ' PHE . 49.7 mm . . . . . 0 N--CA 1.47 0.568 0 CA-C-O 120.751 0.31 . . . . 0.0 111.355 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 79.7 mtp180 . . . . . 0 CA--C 1.516 -0.332 0 CA-C-O 121.177 0.513 . . . . 0.0 111.349 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ACE . . . . . 0.565 ' O ' ' H1 ' ' A' ' 0' ' ' ACE . . . . . . . . 0 C--O 1.231 0.105 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.093 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLU . . . . . 0.723 ' N ' ' OE1' ' A' ' 1' ' ' GLU . 0.9 OUTLIER -152.92 -151.38 0.38 Allowed 'General case' 0 C--O 1.243 0.742 0 CA-C-O 120.974 0.416 . . . . 0.0 111.194 . . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 77.0 mtm180 -50.29 152.55 1.76 Allowed 'General case' 0 CA--C 1.506 -0.733 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 -178.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 55.0 t80 -174.83 92.66 0.07 Allowed 'General case' 0 C--N 1.315 -0.932 0 C-N-CA 120.108 -0.637 . . . . 0.0 112.702 178.683 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.504 ' CD1' ' C ' ' A' ' 4' ' ' TYR . 7.6 p90 -155.92 163.23 40.02 Favored 'General case' 0 CA--C 1.516 -0.343 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 178.215 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.408 ' N ' ' OE1' ' A' ' 10' ' ' GLN . 5.7 tp10 -126.15 110.71 13.8 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 108.112 -1.07 . . . . 0.0 108.112 176.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 63.8 tttp . . . . . 0 CA--C 1.515 -0.391 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 -179.292 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 7' ' ' 4G6 . . . . . 0.495 ' CAE' ' O ' ' A' ' 8' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' DPR . . . . . 0.507 ' C ' ' O ' ' A' ' 9' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.541 HG13 ' O ' ' A' ' 9' ' ' VAL . 7.2 p . . . . . 0 CA--C 1.542 0.635 0 CA-C-O 120.981 0.42 . . . . 0.0 111.43 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.471 ' OE1' ' O ' ' A' ' 11' ' ' LYS . 9.9 mm100 . . . . . 0 N--CA 1.468 0.43 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.471 ' O ' ' OE1' ' A' ' 10' ' ' GLN . 19.0 ptpt . . . . . 0 N--CA 1.468 0.454 0 CA-C-O 120.956 0.408 . . . . 0.0 110.867 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.494 ' CD1' ' C ' ' A' ' 13' ' ' ILE . 6.1 m-85 . . . . . 0 N--CA 1.473 0.714 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.676 HG22 ' HG2' ' A' ' 14' ' ' ARG . 6.5 tp . . . . . 0 N--CA 1.487 1.411 0 N-CA-C 113.052 0.76 . . . . 0.0 113.052 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.676 ' HG2' HG22 ' A' ' 13' ' ' ILE . 57.0 ttp180 . . . . . 0 CA--C 1.516 -0.338 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ACE . . . . . 0.493 ' H2 ' ' OE1' ' A' ' 1' ' ' GLU . . . . . . . . 0 C--O 1.23 0.05 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 0' ' ' ACE . . . . . 0.755 ' H2 ' ' CZ ' ' A' ' 14' ' ' ARG . . . . . . . . 0 C--O 1.233 0.184 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 55.32 -79.87 0.01 OUTLIER 'General case' 0 C--O 1.235 0.307 0 CA-C-O 120.591 0.234 . . . . 0.0 111.42 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.52 ' N ' ' O ' ' A' ' 0' ' ' ACE . 16.7 ptm180 -75.59 140.84 42.88 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-O 121.104 0.478 . . . . 0.0 111.522 -179.251 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.484 ' O ' ' HB2' ' A' ' 12' ' ' PHE . 55.6 t80 177.31 77.4 0.01 OUTLIER 'General case' 0 C--O 1.237 0.443 0 CA-C-N 115.144 -0.935 . . . . 0.0 110.26 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.51 ' CD1' ' C ' ' A' ' 4' ' ' TYR . 7.2 p90 -120.92 160.63 23.09 Favored 'General case' 0 CA--C 1.51 -0.595 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 -179.757 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -129.1 103.63 7.09 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.781 178.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 63.2 mttp . . . . . 0 CA--C 1.512 -0.519 0 CA-C-O 121.676 0.75 . . . . 0.0 109.022 177.609 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 7' ' ' 4G6 . . . . . 0.559 ' CAE' ' O ' ' A' ' 8' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' DPR . . . . . 0.559 ' O ' ' CAE' ' A' ' 7' ' ' 4G6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.566 HG13 ' O ' ' A' ' 9' ' ' VAL . 7.2 p . . . . . 0 CA--C 1.548 0.882 0 N-CA-C 113.026 0.75 . . . . 0.0 113.026 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.457 ' OE1' ' C ' ' A' ' 10' ' ' GLN . 9.5 tm0? . . . . . 0 CA--C 1.529 0.163 0 N-CA-C 107.431 -1.322 . . . . 0.0 107.431 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 61.6 mttp . . . . . 0 N--CA 1.472 0.657 0 CA-C-O 121.838 0.828 . . . . 0.0 112.863 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.484 ' HB2' ' O ' ' A' ' 3' ' ' PHE . 6.0 p90 . . . . . 0 N--CA 1.467 0.404 0 N-CA-C 113.884 1.068 . . . . 0.0 113.884 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 45.2 mm . . . . . 0 N--CA 1.469 0.514 0 N-CA-C 107.166 -1.42 . . . . 0.0 107.166 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.755 ' CZ ' ' H2 ' ' A' ' 0' ' ' ACE . 41.7 mmt180 . . . . . 0 CA--C 1.511 -0.542 0 CA-C-O 122.354 1.073 . . . . 0.0 112.907 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.181 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.061 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLU . . . . . 0.543 ' N ' ' O ' ' A' ' 15' ' ' ACE . 12.3 pt-20 -47.51 -33.88 6.86 Favored 'General case' 0 C--N 1.33 -0.253 0 O-C-N 123.124 0.265 . . . . 0.0 110.945 . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 16.9 ptm180 -98.27 25.91 5.83 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 112.444 0.535 . . . . 0.0 112.444 -179.482 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -60.74 127.1 29.97 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 119.343 -0.943 . . . . 0.0 110.702 -179.459 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.523 ' CD1' ' C ' ' A' ' 4' ' ' TYR . 6.7 p90 -153.29 162.33 41.41 Favored 'General case' 0 CA--C 1.514 -0.442 0 N-CA-C 107.109 -1.441 . . . . 0.0 107.109 177.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.511 ' OE2' ' CAB' ' A' ' 7' ' ' 4G6 . 2.8 tm-20 -138.62 111.85 8.01 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 105.75 -1.944 . . . . 0.0 105.75 177.215 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.418 ' HD3' ' NAC' ' A' ' 7' ' ' 4G6 . 3.9 tmtm? . . . . . 0 N--CA 1.467 0.4 0 CA-C-O 121.309 0.576 . . . . 0.0 110.028 -176.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' 4G6 . . . . . 0.511 ' CAB' ' OE2' ' A' ' 5' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' DPR . . . . . 0.495 ' C ' ' O ' ' A' ' 9' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.536 HG13 ' O ' ' A' ' 9' ' ' VAL . 7.4 p . . . . . 0 CA--C 1.55 0.976 0 CA-C-O 121.143 0.497 . . . . 0.0 111.905 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 41.1 tt0 . . . . . 0 CA--C 1.535 0.396 0 CA-C-O 120.502 0.191 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.574 ' NZ ' ' O ' ' A' ' 12' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.473 0.719 0 N-CA-C 108.191 -1.04 . . . . 0.0 108.191 . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.574 ' O ' ' NZ ' ' A' ' 11' ' ' LYS . 11.7 m-30 . . . . . 0 N--CA 1.488 1.429 0 N-CA-C 113.125 0.787 . . . . 0.0 113.125 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.647 HD13 ' C ' ' A' ' 13' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.466 0.35 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 64.0 mtm-85 . . . . . 0 N--CA 1.465 0.315 0 CA-C-O 121.178 0.513 . . . . 0.0 111.653 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ACE . . . . . 0.543 ' O ' ' N ' ' A' ' 1' ' ' GLU . . . . . . . . 0 C--O 1.233 0.232 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 . . . . . 0 C--O 1.235 0.328 0 CA-C-O 120.89 0.376 . . . . 0.0 110.165 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 77.3 mtp180 -107.15 142.36 36.97 Favored 'General case' 0 CA--C 1.513 -0.479 0 CA-C-O 121.593 0.711 . . . . 0.0 112.802 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -167.5 127.09 1.38 Allowed 'General case' 0 N--CA 1.445 -0.717 0 CA-C-N 114.51 -1.223 . . . . 0.0 110.883 177.093 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.504 ' CD1' ' C ' ' A' ' 4' ' ' TYR . 8.4 p90 -158.31 158.7 34.86 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 107.536 -1.283 . . . . 0.0 107.536 177.259 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.503 ' H ' ' HA ' ' A' ' 10' ' ' GLN . 4.5 mm-40 -114.5 126.42 54.92 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 178.527 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 87.5 tttt . . . . . 0 CA--C 1.515 -0.375 0 N-CA-C 108.35 -0.981 . . . . 0.0 108.35 179.014 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 59.7 t . . . . . 0 N--CA 1.464 0.27 0 CA-C-O 120.037 -0.03 . . . . 0.0 111.045 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.503 ' HA ' ' H ' ' A' ' 5' ' ' GLU . 23.5 pt20 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 121.251 0.548 . . . . 0.0 110.914 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp . . . . . 0 N--CA 1.464 0.23 0 CA-C-O 121.543 0.687 . . . . 0.0 110.522 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 . . . . . 0 N--CA 1.463 0.189 0 CA-C-O 121.22 0.534 . . . . 0.0 111.627 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.797 ' N ' HD13 ' A' ' 13' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.468 0.436 0 CA-C-O 121.353 0.597 . . . . 0.0 112.425 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' GLU . . . . . 0.461 ' O ' ' O ' ' A' ' 2' ' ' ARG . 17.8 tp10 . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 119.729 -0.177 . . . . 0.0 111.42 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . 0.566 ' HA ' ' HE ' ' A' ' 2' ' ' ARG . 5.2 tpm_? -56.92 -114.44 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.345 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 -178.036 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . 0.502 ' O ' ' O ' ' A' ' 13' ' ' ILE . 6.7 m-85 53.13 74.03 0.32 Allowed 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 120.102 -0.639 . . . . 0.0 111.641 179.339 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.709 ' O ' ' N ' ' A' ' 6' ' ' LYS . 12.1 p90 -114.81 170.36 8.39 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.271 -179.004 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 4' ' ' TYR . 38.8 tt0 -2.14 -51.58 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.833 0 O-C-N 124.594 1.184 . . . . 0.0 113.913 179.147 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.709 ' N ' ' O ' ' A' ' 4' ' ' TYR . 40.0 ttpt . . . . . 0 C--N 1.324 -0.53 0 CA-C-O 121.125 0.488 . . . . 0.0 111.497 179.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.573 HG13 ' O ' ' A' ' 9' ' ' VAL . 13.3 p . . . . . 0 N--CA 1.472 0.671 0 N-CA-C 108.234 -1.024 . . . . 0.0 108.234 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.528 ' O ' ' NE2' ' A' ' 10' ' ' GLN . 3.0 pp0? . . . . . 0 CA--C 1.535 0.387 0 N-CA-C 112.569 0.581 . . . . 0.0 112.569 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.436 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 11.9 mptt . . . . . 0 C--O 1.239 0.541 0 N-CA-C 106.698 -1.593 . . . . 0.0 106.698 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 13.3 m-30 . . . . . 0 N--CA 1.474 0.741 0 N-CA-C 113.864 1.061 . . . . 0.0 113.864 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.502 ' O ' ' O ' ' A' ' 3' ' ' PHE . 29.1 pt . . . . . 0 N--CA 1.48 1.039 0 CA-C-O 121.551 0.691 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' GLU . . . . . 0.63 ' C ' ' HE ' ' A' ' 2' ' ' ARG . 12.2 pt-20 . . . . . 0 CA--C 1.53 0.194 0 CA-C-O 120.846 0.355 . . . . 0.0 110.788 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . 0.817 ' N ' ' HE ' ' A' ' 2' ' ' ARG . 0.0 OUTLIER -62.37 167.44 4.2 Favored 'General case' 0 CA--C 1.503 -0.837 0 CA-C-O 122.566 1.174 . . . . 0.0 112.124 -179.215 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 61.9 t80 90.48 91.47 0.02 OUTLIER 'General case' 0 C--N 1.306 -1.292 0 CA-C-N 111.538 -2.574 . . . . 0.0 111.038 -179.338 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.481 ' CD1' ' C ' ' A' ' 4' ' ' TYR . 20.6 p90 -165.88 158.51 15.0 Favored 'General case' 0 N--CA 1.444 -0.767 0 C-N-CA 119.606 -0.838 . . . . 0.0 110.201 179.354 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.427 ' CD ' ' C ' ' A' ' 5' ' ' GLU . 3.2 tm-20 -117.59 99.24 6.84 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 106.698 -1.593 . . . . 0.0 106.698 177.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.492 ' HB3' ' NZ ' ' A' ' 6' ' ' LYS . 5.5 ttpm? . . . . . 0 N--CA 1.465 0.279 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.762 -178.001 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.569 HG13 ' O ' ' A' ' 9' ' ' VAL . 7.1 p . . . . . 0 CA--C 1.546 0.802 0 N-CA-C 112.928 0.714 . . . . 0.0 112.928 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.41 ' HB3' ' H ' ' A' ' 5' ' ' GLU . 2.3 pp0? . . . . . 0 N--CA 1.464 0.233 0 CA-C-O 120.818 0.342 . . . . 0.0 111.734 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.4 pttp . . . . . 0 C--O 1.223 -0.316 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 . . . . . 0 CA--C 1.519 -0.229 0 CA-C-O 121.552 0.692 . . . . 0.0 111.204 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.406 HD13 HG21 ' A' ' 13' ' ' ILE . 13.7 tt . . . . . 0 N--CA 1.476 0.85 0 CA-C-O 121.194 0.521 . . . . 0.0 110.645 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' GLU . . . . . 0.481 ' HG2' ' H ' ' A' ' 3' ' ' PHE . 39.3 tt0 . . . . . 0 C--O 1.236 0.387 0 N-CA-C 107.363 -1.347 . . . . 0.0 107.363 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . 0.681 ' O ' ' N ' ' A' ' 4' ' ' TYR . 0.0 OUTLIER -62.29 -16.26 52.82 Favored 'General case' 0 CA--C 1.514 -0.422 0 N-CA-C 112.58 0.585 . . . . 0.0 112.58 -174.801 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . 0.481 ' H ' ' HG2' ' A' ' 1' ' ' GLU . 46.3 t80 -18.49 71.3 0.0 OUTLIER 'General case' 0 CA--C 1.547 0.846 0 O-C-N 124.747 1.279 . . . . 0.0 111.349 -177.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.681 ' N ' ' O ' ' A' ' 2' ' ' ARG . 5.5 p90 -111.43 154.73 24.24 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 118.123 0.419 . . . . 0.0 111.861 -176.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.658 ' O ' HG23 ' A' ' 9' ' ' VAL . 15.5 pt-20 -8.43 -46.17 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 115.335 1.606 . . . . 0.0 115.335 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.629 ' N ' ' O ' ' A' ' 4' ' ' TYR . 62.0 mttp . . . . . 0 C--N 1.314 -0.952 0 CA-C-N 118.122 0.419 . . . . 0.0 110.494 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.658 HG23 ' O ' ' A' ' 5' ' ' GLU . 61.9 t . . . . . 0 N--CA 1.464 0.246 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.451 ' HB3' ' CE1' ' A' ' 3' ' ' PHE . 53.6 tt0 . . . . . 0 N--CA 1.463 0.175 0 CA-C-O 121.398 0.618 . . . . 0.0 111.877 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.3 pttp . . . . . 0 N--CA 1.481 1.106 0 N-CA-C 112.642 0.608 . . . . 0.0 112.642 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.55 ' N ' ' CD1' ' A' ' 12' ' ' PHE . 0.0 OUTLIER . . . . . 0 CA--C 1.538 0.486 0 N-CA-C 115.042 1.497 . . . . 0.0 115.042 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.645 ' C ' HD13 ' A' ' 13' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.43 0 CA-C-O 120.464 0.173 . . . . 0.0 111.348 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 . . . . . 0 N--CA 1.471 0.606 0 CA-C-O 121.338 0.59 . . . . 0.0 111.273 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 85.4 mtm180 -70.01 -39.63 75.72 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-O 122.065 0.936 . . . . 0.0 110.014 179.416 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . 0.569 ' CD2' ' O ' ' A' ' 3' ' ' PHE . 69.8 t80 32.75 64.11 0.28 Allowed 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 113.283 -1.78 . . . . 0.0 110.738 -176.717 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.681 ' O ' ' CD1' ' A' ' 4' ' ' TYR . 0.0 OUTLIER -109.18 86.48 2.29 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 120.134 -0.627 . . . . 0.0 110.371 178.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.571 ' C ' ' O ' ' A' ' 4' ' ' TYR . 3.5 tm-20 -23.98 126.86 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.104 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 -179.459 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.894 ' H ' ' HZ2' ' A' ' 6' ' ' LYS . 0.1 OUTLIER . . . . . 0 N--CA 1.472 0.626 0 CA-C-O 121.615 0.721 . . . . 0.0 111.817 -173.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 96.4 t . . . . . 0 N--CA 1.47 0.528 0 N-CA-C 112.17 0.433 . . . . 0.0 112.17 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.752 ' N ' ' HZ3' ' A' ' 11' ' ' LYS . 72.7 mt-30 . . . . . 0 N--CA 1.465 0.304 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.752 ' HZ3' ' N ' ' A' ' 10' ' ' GLN . 0.4 OUTLIER . . . . . 0 CA--C 1.539 0.528 0 N-CA-C 109.379 -0.601 . . . . 0.0 109.379 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.615 ' N ' HD13 ' A' ' 13' ' ' ILE . 14.0 m-85 . . . . . 0 N--CA 1.467 0.4 0 CA-C-O 120.813 0.339 . . . . 0.0 110.858 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.674 HD13 ' C ' ' A' ' 13' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.466 0.368 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 . . . . . 0 C--O 1.237 0.425 0 CA-C-O 120.975 0.417 . . . . 0.0 111.17 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . 1.047 ' NE ' ' H ' ' A' ' 2' ' ' ARG . 0.0 OUTLIER -104.79 37.85 2.05 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 118.227 -0.892 . . . . 0.0 112.033 -179.91 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . 0.61 ' C ' ' O ' ' A' ' 2' ' ' ARG . 42.9 t80 -23.32 95.66 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 107.876 -1.157 . . . . 0.0 107.876 177.039 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.524 ' N ' ' O ' ' A' ' 2' ' ' ARG . 22.2 t80 -105.11 117.51 34.2 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 119.581 -0.848 . . . . 0.0 111.666 -170.392 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -138.84 75.24 1.51 Allowed 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 178.186 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 62.3 tttm . . . . . 0 CA--C 1.519 -0.216 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.423 -179.124 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.689 HG13 ' O ' ' A' ' 9' ' ' VAL . 11.2 p . . . . . 0 CA--C 1.543 0.711 0 N-CA-C 111.829 0.307 . . . . 0.0 111.829 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.408 ' CD ' ' C ' ' A' ' 10' ' ' GLN . 2.7 tm0? . . . . . 0 CA--C 1.534 0.335 0 N-CA-C 107.736 -1.209 . . . . 0.0 107.736 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.577 ' NZ ' ' HB2' ' A' ' 11' ' ' LYS . 4.5 ttmp? . . . . . 0 N--CA 1.448 -0.572 0 CA-C-O 121.067 0.461 . . . . 0.0 110.465 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.563 ' HB2' ' O ' ' A' ' 3' ' ' PHE . 4.2 p90 . . . . . 0 CA--C 1.518 -0.267 0 N-CA-C 114.499 1.296 . . . . 0.0 114.499 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.759 ' N ' HD13 ' A' ' 13' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.471 0.618 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' GLU . . . . . 0.491 ' C ' ' H ' ' A' ' 3' ' ' PHE . 4.6 mm-40 . . . . . 0 N--CA 1.464 0.268 0 CA-C-O 120.921 0.391 . . . . 0.0 110.274 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . 0.604 ' CD ' ' H ' ' A' ' 2' ' ' ARG . 0.0 OUTLIER -69.67 12.85 0.16 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.001 -179.276 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . 0.491 ' H ' ' C ' ' A' ' 1' ' ' GLU . 0.7 OUTLIER -52.97 112.78 0.91 Allowed 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.641 -0.504 . . . . 0.0 109.641 -179.804 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.514 ' CD1' ' C ' ' A' ' 4' ' ' TYR . 4.7 p90 -148.0 159.51 43.81 Favored 'General case' 0 CA--C 1.517 -0.324 0 N-CA-C 107.495 -1.298 . . . . 0.0 107.495 177.479 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.441 ' OE2' ' O ' ' A' ' 4' ' ' TYR . 67.7 mm-40 -137.57 107.63 6.36 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 107.902 -1.147 . . . . 0.0 107.902 177.02 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.436 ' C ' ' HD2' ' A' ' 6' ' ' LYS . 0.0 OUTLIER . . . . . 0 CA--C 1.504 -0.812 0 N-CA-C 113.678 0.992 . . . . 0.0 113.678 -178.653 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.486 HG13 ' O ' ' A' ' 10' ' ' GLN . 29.6 m . . . . . 0 CA--C 1.553 1.067 0 N-CA-C 113.762 1.023 . . . . 0.0 113.762 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.486 ' O ' HG13 ' A' ' 9' ' ' VAL . 71.2 mt-30 . . . . . 0 N--CA 1.466 0.375 0 N-CA-C 110.574 -0.158 . . . . 0.0 110.574 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? . . . . . 0 CA--C 1.527 0.065 0 N-CA-C 110.013 -0.365 . . . . 0.0 110.013 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 8.9 m-30 . . . . . 0 N--CA 1.462 0.165 0 CA-C-O 120.739 0.304 . . . . 0.0 110.305 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.438 ' O ' ' O ' ' A' ' 3' ' ' PHE . 49.7 mm . . . . . 0 N--CA 1.47 0.568 0 CA-C-O 120.751 0.31 . . . . 0.0 111.355 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' GLU . . . . . 0.723 ' OE1' ' N ' ' A' ' 1' ' ' GLU . 0.9 OUTLIER . . . . . 0 C--O 1.243 0.742 0 CA-C-O 120.974 0.416 . . . . 0.0 111.194 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 77.0 mtm180 -50.29 152.55 1.76 Allowed 'General case' 0 CA--C 1.506 -0.733 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 -178.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 55.0 t80 -174.83 92.66 0.07 Allowed 'General case' 0 C--N 1.315 -0.932 0 C-N-CA 120.108 -0.637 . . . . 0.0 112.702 178.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.504 ' CD1' ' C ' ' A' ' 4' ' ' TYR . 7.6 p90 -155.92 163.23 40.02 Favored 'General case' 0 CA--C 1.516 -0.343 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 178.215 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.408 ' N ' ' OE1' ' A' ' 10' ' ' GLN . 5.7 tp10 -126.15 110.71 13.8 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 108.112 -1.07 . . . . 0.0 108.112 176.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 63.8 tttp . . . . . 0 CA--C 1.515 -0.391 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 -179.292 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.541 HG13 ' O ' ' A' ' 9' ' ' VAL . 7.2 p . . . . . 0 CA--C 1.542 0.635 0 CA-C-O 120.981 0.42 . . . . 0.0 111.43 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.471 ' OE1' ' O ' ' A' ' 11' ' ' LYS . 9.9 mm100 . . . . . 0 N--CA 1.468 0.43 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.471 ' O ' ' OE1' ' A' ' 10' ' ' GLN . 19.0 ptpt . . . . . 0 N--CA 1.468 0.454 0 CA-C-O 120.956 0.408 . . . . 0.0 110.867 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.494 ' CD1' ' C ' ' A' ' 13' ' ' ILE . 6.1 m-85 . . . . . 0 N--CA 1.473 0.714 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.494 ' C ' ' CD1' ' A' ' 12' ' ' PHE . 6.5 tp . . . . . 0 N--CA 1.487 1.411 0 N-CA-C 113.052 0.76 . . . . 0.0 113.052 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 . . . . . 0 C--O 1.235 0.307 0 CA-C-O 120.591 0.234 . . . . 0.0 111.42 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 16.7 ptm180 -75.59 140.84 42.88 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-O 121.104 0.478 . . . . 0.0 111.522 -179.251 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . 0.484 ' O ' ' HB2' ' A' ' 12' ' ' PHE . 55.6 t80 177.31 77.4 0.01 OUTLIER 'General case' 0 C--O 1.237 0.443 0 CA-C-N 115.144 -0.935 . . . . 0.0 110.26 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.51 ' CD1' ' C ' ' A' ' 4' ' ' TYR . 7.2 p90 -120.92 160.63 23.09 Favored 'General case' 0 CA--C 1.51 -0.595 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 -179.757 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -129.1 103.63 7.09 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.781 178.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 63.2 mttp . . . . . 0 CA--C 1.512 -0.519 0 CA-C-O 121.676 0.75 . . . . 0.0 109.022 177.609 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.566 HG13 ' O ' ' A' ' 9' ' ' VAL . 7.2 p . . . . . 0 CA--C 1.548 0.882 0 N-CA-C 113.026 0.75 . . . . 0.0 113.026 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.611 ' C ' ' NE2' ' A' ' 10' ' ' GLN . 0.0 OUTLIER . . . . . 0 CA--C 1.529 0.163 0 N-CA-C 107.431 -1.322 . . . . 0.0 107.431 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 61.6 mttp . . . . . 0 N--CA 1.472 0.657 0 CA-C-O 121.838 0.828 . . . . 0.0 112.863 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.484 ' HB2' ' O ' ' A' ' 3' ' ' PHE . 6.0 p90 . . . . . 0 N--CA 1.467 0.404 0 N-CA-C 113.884 1.068 . . . . 0.0 113.884 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 45.2 mm . . . . . 0 N--CA 1.469 0.514 0 N-CA-C 107.166 -1.42 . . . . 0.0 107.166 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' GLU . . . . . 0.488 ' O ' HG22 ' A' ' 13' ' ' ILE . 12.3 pt-20 . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.602 0.239 . . . . 0.0 110.945 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 16.9 ptm180 -98.27 25.91 5.83 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 112.444 0.535 . . . . 0.0 112.444 -179.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -60.74 127.1 29.97 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 119.343 -0.943 . . . . 0.0 110.702 -179.459 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.523 ' CD1' ' C ' ' A' ' 4' ' ' TYR . 6.7 p90 -153.29 162.33 41.41 Favored 'General case' 0 CA--C 1.514 -0.442 0 N-CA-C 107.109 -1.441 . . . . 0.0 107.109 177.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.417 ' CD ' ' C ' ' A' ' 5' ' ' GLU . 2.8 tm-20 -138.62 111.85 8.01 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 105.75 -1.944 . . . . 0.0 105.75 177.215 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.414 ' C ' ' HD3' ' A' ' 6' ' ' LYS . 3.9 tmtm? . . . . . 0 N--CA 1.467 0.4 0 CA-C-O 121.309 0.576 . . . . 0.0 110.028 -176.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.536 HG13 ' O ' ' A' ' 9' ' ' VAL . 7.4 p . . . . . 0 CA--C 1.55 0.976 0 CA-C-O 121.143 0.497 . . . . 0.0 111.905 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 41.1 tt0 . . . . . 0 CA--C 1.535 0.396 0 CA-C-O 120.502 0.191 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.574 ' NZ ' ' O ' ' A' ' 12' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.473 0.719 0 N-CA-C 108.191 -1.04 . . . . 0.0 108.191 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.574 ' O ' ' NZ ' ' A' ' 11' ' ' LYS . 11.7 m-30 . . . . . 0 N--CA 1.488 1.429 0 N-CA-C 113.125 0.787 . . . . 0.0 113.125 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.647 HD13 ' C ' ' A' ' 13' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.466 0.35 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . 0.65 ' H1 ' ' O ' ' A' ' 15' ' ' ACE . . . . . . . . 0 C--O 1.231 0.109 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -81.7 133.66 35.38 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 120.89 0.376 . . . . 0.0 110.165 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 77.3 mtp180 -107.15 142.36 36.97 Favored 'General case' 0 CA--C 1.513 -0.479 0 CA-C-O 121.593 0.711 . . . . 0.0 112.802 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -167.5 127.09 1.38 Allowed 'General case' 0 N--CA 1.445 -0.717 0 CA-C-N 114.51 -1.223 . . . . 0.0 110.883 177.093 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.504 ' CD1' ' C ' ' A' ' 4' ' ' TYR . 8.4 p90 -158.31 158.7 34.86 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 107.536 -1.283 . . . . 0.0 107.536 177.259 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.503 ' H ' ' HA ' ' A' ' 10' ' ' GLN . 4.5 mm-40 -114.5 126.42 54.92 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 178.527 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 87.5 tttt . . . . . 0 CA--C 1.515 -0.375 0 N-CA-C 108.35 -0.981 . . . . 0.0 108.35 179.014 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' 4G6 . . . . . 0.571 ' CAE' ' O ' ' A' ' 8' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' DPR . . . . . 0.571 ' O ' ' CAE' ' A' ' 7' ' ' 4G6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.533 ' O ' ' C ' ' A' ' 8' ' ' DPR . 59.7 t . . . . . 0 N--CA 1.464 0.27 0 CA-C-O 120.037 -0.03 . . . . 0.0 111.045 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.503 ' HA ' ' H ' ' A' ' 5' ' ' GLU . 23.5 pt20 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 121.251 0.548 . . . . 0.0 110.914 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp . . . . . 0 N--CA 1.464 0.23 0 CA-C-O 121.543 0.687 . . . . 0.0 110.522 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 . . . . . 0 N--CA 1.463 0.189 0 CA-C-O 121.22 0.534 . . . . 0.0 111.627 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.797 ' N ' HD13 ' A' ' 13' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.468 0.436 0 CA-C-O 121.353 0.597 . . . . 0.0 112.425 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 16.6 ptm180 . . . . . 0 N--CA 1.461 0.1 0 CA-C-O 120.68 0.276 . . . . 0.0 110.464 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ACE . . . . . 0.65 ' O ' ' H1 ' ' A' ' 0' ' ' ACE . . . . . . . . 0 C--O 1.23 0.052 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.093 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . 0.461 ' O ' ' O ' ' A' ' 2' ' ' ARG . 17.8 tp10 -38.4 -44.67 0.94 Allowed 'General case' 0 N--CA 1.453 -0.31 0 O-C-N 123.146 0.279 . . . . 0.0 111.42 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.566 ' HA ' ' HE ' ' A' ' 2' ' ' ARG . 5.2 tpm_? -56.92 -114.44 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.345 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 -178.036 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.502 ' O ' ' O ' ' A' ' 13' ' ' ILE . 6.7 m-85 53.13 74.03 0.32 Allowed 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 120.102 -0.639 . . . . 0.0 111.641 179.339 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.709 ' O ' ' N ' ' A' ' 6' ' ' LYS . 12.1 p90 -114.81 170.36 8.39 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.271 -179.004 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 4' ' ' TYR . 38.8 tt0 -2.14 -51.58 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.833 0 O-C-N 124.594 1.184 . . . . 0.0 113.913 179.147 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.709 ' N ' ' O ' ' A' ' 4' ' ' TYR . 40.0 ttpt . . . . . 0 C--N 1.324 -0.53 0 CA-C-O 121.125 0.488 . . . . 0.0 111.497 179.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' 4G6 . . . . . 0.533 ' CAA' ' O ' ' A' ' 8' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' DPR . . . . . 0.533 ' O ' ' CAA' ' A' ' 7' ' ' 4G6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.573 HG13 ' O ' ' A' ' 9' ' ' VAL . 13.3 p . . . . . 0 N--CA 1.472 0.671 0 N-CA-C 108.234 -1.024 . . . . 0.0 108.234 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.528 ' O ' ' NE2' ' A' ' 10' ' ' GLN . 3.0 pp0? . . . . . 0 CA--C 1.535 0.387 0 N-CA-C 112.569 0.581 . . . . 0.0 112.569 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.436 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 11.9 mptt . . . . . 0 C--O 1.239 0.541 0 N-CA-C 106.698 -1.593 . . . . 0.0 106.698 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 13.3 m-30 . . . . . 0 N--CA 1.474 0.741 0 N-CA-C 113.864 1.061 . . . . 0.0 113.864 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.502 ' O ' ' O ' ' A' ' 3' ' ' PHE . 29.1 pt . . . . . 0 N--CA 1.48 1.039 0 CA-C-O 121.551 0.691 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 77.7 mtp180 . . . . . 0 CA--C 1.514 -0.421 0 CA-C-O 120.677 0.275 . . . . 0.0 111.316 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.237 0.405 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . 0.526 ' H1 ' ' H3 ' ' A' ' 15' ' ' ACE . . . . . . . . 0 C--O 1.231 0.081 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . 0.63 ' C ' ' HE ' ' A' ' 2' ' ' ARG . 12.2 pt-20 -161.88 22.98 0.11 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.846 0.355 . . . . 0.0 110.788 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.817 ' HE ' ' N ' ' A' ' 2' ' ' ARG . 0.0 OUTLIER -62.37 167.44 4.2 Favored 'General case' 0 CA--C 1.503 -0.837 0 CA-C-O 122.566 1.174 . . . . 0.0 112.124 -179.215 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.405 ' CG ' ' NH2' ' A' ' 14' ' ' ARG . 61.9 t80 90.48 91.47 0.02 OUTLIER 'General case' 0 C--N 1.306 -1.292 0 CA-C-N 111.538 -2.574 . . . . 0.0 111.038 -179.338 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.481 ' C ' ' CD1' ' A' ' 4' ' ' TYR . 20.6 p90 -165.88 158.51 15.0 Favored 'General case' 0 N--CA 1.444 -0.767 0 C-N-CA 119.606 -0.838 . . . . 0.0 110.201 179.354 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.447 ' OE2' ' CAB' ' A' ' 7' ' ' 4G6 . 3.2 tm-20 -117.59 99.24 6.84 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 106.698 -1.593 . . . . 0.0 106.698 177.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.492 ' HB3' ' NZ ' ' A' ' 6' ' ' LYS . 5.5 ttpm? . . . . . 0 N--CA 1.465 0.279 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.762 -178.001 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' 4G6 . . . . . 0.447 ' CAB' ' OE2' ' A' ' 5' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' DPR . . . . . 0.472 ' C ' ' O ' ' A' ' 9' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.569 ' O ' HG13 ' A' ' 9' ' ' VAL . 7.1 p . . . . . 0 CA--C 1.546 0.802 0 N-CA-C 112.928 0.714 . . . . 0.0 112.928 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.41 ' HB3' ' H ' ' A' ' 5' ' ' GLU . 2.3 pp0? . . . . . 0 N--CA 1.464 0.233 0 CA-C-O 120.818 0.342 . . . . 0.0 111.734 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.4 pttp . . . . . 0 C--O 1.223 -0.316 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.472 ' CZ ' ' NH2' ' A' ' 14' ' ' ARG . 7.6 m-85 . . . . . 0 CA--C 1.519 -0.229 0 CA-C-O 121.552 0.692 . . . . 0.0 111.204 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.406 HD13 HG21 ' A' ' 13' ' ' ILE . 13.7 tt . . . . . 0 N--CA 1.476 0.85 0 CA-C-O 121.194 0.521 . . . . 0.0 110.645 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.472 ' NH2' ' CZ ' ' A' ' 12' ' ' PHE . 79.3 mtp180 . . . . . 0 N--CA 1.463 0.215 0 CA-C-O 120.819 0.342 . . . . 0.0 111.196 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ACE . . . . . 0.526 ' H3 ' ' H1 ' ' A' ' 0' ' ' ACE . . . . . . . . 0 C--O 1.231 0.125 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . 0.677 ' H2 ' ' NH1' ' A' ' 14' ' ' ARG . . . . . . . . 0 C--O 1.231 0.097 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . 0.481 ' HG2' ' H ' ' A' ' 3' ' ' PHE . 39.3 tt0 -143.31 129.08 19.36 Favored 'General case' 0 C--O 1.236 0.387 0 N-CA-C 107.363 -1.347 . . . . 0.0 107.363 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.681 ' O ' ' N ' ' A' ' 4' ' ' TYR . 0.0 OUTLIER -62.29 -16.26 52.82 Favored 'General case' 0 CA--C 1.514 -0.422 0 N-CA-C 112.58 0.585 . . . . 0.0 112.58 -174.801 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.481 ' H ' ' HG2' ' A' ' 1' ' ' GLU . 46.3 t80 -18.49 71.3 0.0 OUTLIER 'General case' 0 CA--C 1.547 0.846 0 O-C-N 124.747 1.279 . . . . 0.0 111.349 -177.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.681 ' N ' ' O ' ' A' ' 2' ' ' ARG . 5.5 p90 -111.43 154.73 24.24 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 118.123 0.419 . . . . 0.0 111.861 -176.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.658 ' O ' HG23 ' A' ' 9' ' ' VAL . 15.5 pt-20 -8.43 -46.17 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 115.335 1.606 . . . . 0.0 115.335 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.629 ' N ' ' O ' ' A' ' 4' ' ' TYR . 62.0 mttp . . . . . 0 C--N 1.314 -0.952 0 CA-C-N 118.122 0.419 . . . . 0.0 110.494 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' 4G6 . . . . . 0.506 ' CAA' ' O ' ' A' ' 8' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' DPR . . . . . 0.506 ' O ' ' CAA' ' A' ' 7' ' ' 4G6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.658 HG23 ' O ' ' A' ' 5' ' ' GLU . 61.9 t . . . . . 0 N--CA 1.464 0.246 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.451 ' HB3' ' CE1' ' A' ' 3' ' ' PHE . 53.6 tt0 . . . . . 0 N--CA 1.463 0.175 0 CA-C-O 121.398 0.618 . . . . 0.0 111.877 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.3 pttp . . . . . 0 N--CA 1.481 1.106 0 N-CA-C 112.642 0.608 . . . . 0.0 112.642 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.55 ' N ' ' CD1' ' A' ' 12' ' ' PHE . 0.0 OUTLIER . . . . . 0 CA--C 1.538 0.486 0 N-CA-C 115.042 1.497 . . . . 0.0 115.042 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.645 ' C ' HD13 ' A' ' 13' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.43 0 CA-C-O 120.464 0.173 . . . . 0.0 111.348 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.677 ' NH1' ' H2 ' ' A' ' 0' ' ' ACE . 4.9 tpm_? . . . . . 0 N--CA 1.461 0.116 0 N-CA-C 111.898 0.333 . . . . 0.0 111.898 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ACE . . . . . 0.434 ' O ' ' O ' ' A' ' 1' ' ' GLU . . . . . . . . 0 C--O 1.236 0.394 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.175 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -129.4 141.87 50.94 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-O 121.338 0.59 . . . . 0.0 111.273 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 85.4 mtm180 -70.01 -39.63 75.72 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-O 122.065 0.936 . . . . 0.0 110.014 179.416 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.569 ' O ' ' CD2' ' A' ' 3' ' ' PHE . 69.8 t80 32.75 64.11 0.28 Allowed 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 113.283 -1.78 . . . . 0.0 110.738 -176.717 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.681 ' CD1' ' O ' ' A' ' 4' ' ' TYR . 0.0 OUTLIER -109.18 86.48 2.29 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 120.134 -0.627 . . . . 0.0 110.371 178.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.571 ' C ' ' O ' ' A' ' 4' ' ' TYR . 3.5 tm-20 -23.98 126.86 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.104 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 -179.459 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.894 ' H ' ' HZ2' ' A' ' 6' ' ' LYS . 0.1 OUTLIER . . . . . 0 N--CA 1.472 0.626 0 CA-C-O 121.615 0.721 . . . . 0.0 111.817 -173.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' 4G6 . . . . . 0.599 ' CAE' ' O ' ' A' ' 8' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' DPR . . . . . 0.599 ' O ' ' CAE' ' A' ' 7' ' ' 4G6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.514 ' O ' ' O ' ' A' ' 8' ' ' DPR . 96.4 t . . . . . 0 N--CA 1.47 0.528 0 N-CA-C 112.17 0.433 . . . . 0.0 112.17 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.752 ' N ' ' HZ3' ' A' ' 11' ' ' LYS . 72.7 mt-30 . . . . . 0 N--CA 1.465 0.304 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.752 ' HZ3' ' N ' ' A' ' 10' ' ' GLN . 0.4 OUTLIER . . . . . 0 CA--C 1.539 0.528 0 N-CA-C 109.379 -0.601 . . . . 0.0 109.379 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.615 ' N ' HD13 ' A' ' 13' ' ' ILE . 14.0 m-85 . . . . . 0 N--CA 1.467 0.4 0 CA-C-O 120.813 0.339 . . . . 0.0 110.858 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.674 ' C ' HD13 ' A' ' 13' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.466 0.368 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.496 ' HE ' ' CB ' ' A' ' 3' ' ' PHE . 12.6 tpt180 . . . . . 0 CA--C 1.532 0.267 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.103 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . 0.557 ' H2 ' ' O ' ' A' ' 15' ' ' ACE . . . . . . . . 0 C--O 1.231 0.126 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -146.4 142.93 28.68 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-O 120.975 0.417 . . . . 0.0 111.17 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 1.047 ' NE ' ' H ' ' A' ' 2' ' ' ARG . 0.0 OUTLIER -104.79 37.85 2.05 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 118.227 -0.892 . . . . 0.0 112.033 -179.91 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.61 ' C ' ' O ' ' A' ' 2' ' ' ARG . 42.9 t80 -23.32 95.66 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 107.876 -1.157 . . . . 0.0 107.876 177.039 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.524 ' N ' ' O ' ' A' ' 2' ' ' ARG . 22.2 t80 -105.11 117.51 34.2 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 119.581 -0.848 . . . . 0.0 111.666 -170.392 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -138.84 75.24 1.51 Allowed 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 178.186 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 62.3 tttm . . . . . 0 CA--C 1.519 -0.216 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.423 -179.124 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' 4G6 . . . . . 0.54 ' CAE' ' O ' ' A' ' 8' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' DPR . . . . . 0.54 ' O ' ' CAE' ' A' ' 7' ' ' 4G6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.689 ' O ' HG13 ' A' ' 9' ' ' VAL . 11.2 p . . . . . 0 CA--C 1.543 0.711 0 N-CA-C 111.829 0.307 . . . . 0.0 111.829 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.43 HE22 ' HD3' ' A' ' 8' ' ' DPR . 2.7 tm0? . . . . . 0 CA--C 1.534 0.335 0 N-CA-C 107.736 -1.209 . . . . 0.0 107.736 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.577 ' NZ ' ' HB2' ' A' ' 11' ' ' LYS . 4.5 ttmp? . . . . . 0 N--CA 1.448 -0.572 0 CA-C-O 121.067 0.461 . . . . 0.0 110.465 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.563 ' HB2' ' O ' ' A' ' 3' ' ' PHE . 4.2 p90 . . . . . 0 CA--C 1.518 -0.267 0 N-CA-C 114.499 1.296 . . . . 0.0 114.499 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.759 HD13 ' N ' ' A' ' 13' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.471 0.618 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.543 ' NH2' ' O ' ' A' ' 12' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.463 0.19 0 N-CA-C 112.402 0.519 . . . . 0.0 112.402 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ACE . . . . . 0.557 ' O ' ' H2 ' ' A' ' 0' ' ' ACE . . . . . . . . 0 C--O 1.233 0.21 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . 0.565 ' H1 ' ' O ' ' A' ' 15' ' ' ACE . . . . . . . . 0 C--O 1.23 0.069 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . 0.491 ' C ' ' H ' ' A' ' 3' ' ' PHE . 4.6 mm-40 -86.66 133.24 33.71 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.921 0.391 . . . . 0.0 110.274 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.604 ' CD ' ' H ' ' A' ' 2' ' ' ARG . 0.0 OUTLIER -69.67 12.85 0.16 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.001 -179.276 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.491 ' H ' ' C ' ' A' ' 1' ' ' GLU . 0.7 OUTLIER -52.97 112.78 0.91 Allowed 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.641 -0.504 . . . . 0.0 109.641 -179.804 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.514 ' CD1' ' C ' ' A' ' 4' ' ' TYR . 4.7 p90 -148.0 159.51 43.81 Favored 'General case' 0 CA--C 1.517 -0.324 0 N-CA-C 107.495 -1.298 . . . . 0.0 107.495 177.479 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.441 ' OE2' ' O ' ' A' ' 4' ' ' TYR . 67.7 mm-40 -137.57 107.63 6.36 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 107.902 -1.147 . . . . 0.0 107.902 177.02 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.436 ' C ' ' HD2' ' A' ' 6' ' ' LYS . 0.0 OUTLIER . . . . . 0 CA--C 1.504 -0.812 0 N-CA-C 113.678 0.992 . . . . 0.0 113.678 -178.653 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' 4G6 . . . . . 0.415 ' NAC' ' C ' ' A' ' 8' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' DPR . . . . . 0.453 ' O ' ' O ' ' A' ' 9' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.486 HG13 ' O ' ' A' ' 10' ' ' GLN . 29.6 m . . . . . 0 CA--C 1.553 1.067 0 N-CA-C 113.762 1.023 . . . . 0.0 113.762 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.486 ' O ' HG13 ' A' ' 9' ' ' VAL . 71.2 mt-30 . . . . . 0 N--CA 1.466 0.375 0 N-CA-C 110.574 -0.158 . . . . 0.0 110.574 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? . . . . . 0 CA--C 1.527 0.065 0 N-CA-C 110.013 -0.365 . . . . 0.0 110.013 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 8.9 m-30 . . . . . 0 N--CA 1.462 0.165 0 CA-C-O 120.739 0.304 . . . . 0.0 110.305 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.438 ' O ' ' O ' ' A' ' 3' ' ' PHE . 49.7 mm . . . . . 0 N--CA 1.47 0.568 0 CA-C-O 120.751 0.31 . . . . 0.0 111.355 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 79.7 mtp180 . . . . . 0 CA--C 1.516 -0.332 0 CA-C-O 121.177 0.513 . . . . 0.0 111.349 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ACE . . . . . 0.565 ' O ' ' H1 ' ' A' ' 0' ' ' ACE . . . . . . . . 0 C--O 1.231 0.105 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.093 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . 0.723 ' N ' ' OE1' ' A' ' 1' ' ' GLU . 0.9 OUTLIER -152.92 -151.38 0.38 Allowed 'General case' 0 C--O 1.243 0.742 0 CA-C-O 120.974 0.416 . . . . 0.0 111.194 . . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 77.0 mtm180 -50.29 152.55 1.76 Allowed 'General case' 0 CA--C 1.506 -0.733 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 -178.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 55.0 t80 -174.83 92.66 0.07 Allowed 'General case' 0 C--N 1.315 -0.932 0 C-N-CA 120.108 -0.637 . . . . 0.0 112.702 178.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.504 ' CD1' ' C ' ' A' ' 4' ' ' TYR . 7.6 p90 -155.92 163.23 40.02 Favored 'General case' 0 CA--C 1.516 -0.343 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 178.215 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.408 ' N ' ' OE1' ' A' ' 10' ' ' GLN . 5.7 tp10 -126.15 110.71 13.8 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 108.112 -1.07 . . . . 0.0 108.112 176.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 63.8 tttp . . . . . 0 CA--C 1.515 -0.391 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 -179.292 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' 4G6 . . . . . 0.495 ' CAE' ' O ' ' A' ' 8' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' DPR . . . . . 0.507 ' C ' ' O ' ' A' ' 9' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.541 HG13 ' O ' ' A' ' 9' ' ' VAL . 7.2 p . . . . . 0 CA--C 1.542 0.635 0 CA-C-O 120.981 0.42 . . . . 0.0 111.43 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.471 ' OE1' ' O ' ' A' ' 11' ' ' LYS . 9.9 mm100 . . . . . 0 N--CA 1.468 0.43 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.471 ' O ' ' OE1' ' A' ' 10' ' ' GLN . 19.0 ptpt . . . . . 0 N--CA 1.468 0.454 0 CA-C-O 120.956 0.408 . . . . 0.0 110.867 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.494 ' CD1' ' C ' ' A' ' 13' ' ' ILE . 6.1 m-85 . . . . . 0 N--CA 1.473 0.714 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.676 HG22 ' HG2' ' A' ' 14' ' ' ARG . 6.5 tp . . . . . 0 N--CA 1.487 1.411 0 N-CA-C 113.052 0.76 . . . . 0.0 113.052 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.676 ' HG2' HG22 ' A' ' 13' ' ' ILE . 57.0 ttp180 . . . . . 0 CA--C 1.516 -0.338 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ACE . . . . . 0.493 ' H2 ' ' OE1' ' A' ' 1' ' ' GLU . . . . . . . . 0 C--O 1.23 0.05 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . 0.755 ' H2 ' ' CZ ' ' A' ' 14' ' ' ARG . . . . . . . . 0 C--O 1.233 0.184 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 55.32 -79.87 0.01 OUTLIER 'General case' 0 C--O 1.235 0.307 0 CA-C-O 120.591 0.234 . . . . 0.0 111.42 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.52 ' N ' ' O ' ' A' ' 0' ' ' ACE . 16.7 ptm180 -75.59 140.84 42.88 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-O 121.104 0.478 . . . . 0.0 111.522 -179.251 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.484 ' O ' ' HB2' ' A' ' 12' ' ' PHE . 55.6 t80 177.31 77.4 0.01 OUTLIER 'General case' 0 C--O 1.237 0.443 0 CA-C-N 115.144 -0.935 . . . . 0.0 110.26 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.51 ' CD1' ' C ' ' A' ' 4' ' ' TYR . 7.2 p90 -120.92 160.63 23.09 Favored 'General case' 0 CA--C 1.51 -0.595 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 -179.757 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -129.1 103.63 7.09 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.781 178.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 63.2 mttp . . . . . 0 CA--C 1.512 -0.519 0 CA-C-O 121.676 0.75 . . . . 0.0 109.022 177.609 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' 4G6 . . . . . 0.559 ' CAE' ' O ' ' A' ' 8' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' DPR . . . . . 0.559 ' O ' ' CAE' ' A' ' 7' ' ' 4G6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.566 HG13 ' O ' ' A' ' 9' ' ' VAL . 7.2 p . . . . . 0 CA--C 1.548 0.882 0 N-CA-C 113.026 0.75 . . . . 0.0 113.026 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.611 ' C ' ' NE2' ' A' ' 10' ' ' GLN . 0.0 OUTLIER . . . . . 0 CA--C 1.529 0.163 0 N-CA-C 107.431 -1.322 . . . . 0.0 107.431 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 61.6 mttp . . . . . 0 N--CA 1.472 0.657 0 CA-C-O 121.838 0.828 . . . . 0.0 112.863 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.484 ' HB2' ' O ' ' A' ' 3' ' ' PHE . 6.0 p90 . . . . . 0 N--CA 1.467 0.404 0 N-CA-C 113.884 1.068 . . . . 0.0 113.884 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 45.2 mm . . . . . 0 N--CA 1.469 0.514 0 N-CA-C 107.166 -1.42 . . . . 0.0 107.166 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.755 ' CZ ' ' H2 ' ' A' ' 0' ' ' ACE . 41.7 mmt180 . . . . . 0 CA--C 1.511 -0.542 0 CA-C-O 122.354 1.073 . . . . 0.0 112.907 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.181 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.061 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . 0.543 ' N ' ' O ' ' A' ' 15' ' ' ACE . 12.3 pt-20 -47.51 -33.88 6.86 Favored 'General case' 0 C--N 1.33 -0.253 0 O-C-N 123.124 0.265 . . . . 0.0 110.945 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 16.9 ptm180 -98.27 25.91 5.83 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 112.444 0.535 . . . . 0.0 112.444 -179.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -60.74 127.1 29.97 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 119.343 -0.943 . . . . 0.0 110.702 -179.459 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.523 ' CD1' ' C ' ' A' ' 4' ' ' TYR . 6.7 p90 -153.29 162.33 41.41 Favored 'General case' 0 CA--C 1.514 -0.442 0 N-CA-C 107.109 -1.441 . . . . 0.0 107.109 177.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.511 ' OE2' ' CAB' ' A' ' 7' ' ' 4G6 . 2.8 tm-20 -138.62 111.85 8.01 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 105.75 -1.944 . . . . 0.0 105.75 177.215 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.418 ' HD3' ' NAC' ' A' ' 7' ' ' 4G6 . 3.9 tmtm? . . . . . 0 N--CA 1.467 0.4 0 CA-C-O 121.309 0.576 . . . . 0.0 110.028 -176.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' 4G6 . . . . . 0.511 ' CAB' ' OE2' ' A' ' 5' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' DPR . . . . . 0.495 ' C ' ' O ' ' A' ' 9' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.536 HG13 ' O ' ' A' ' 9' ' ' VAL . 7.4 p . . . . . 0 CA--C 1.55 0.976 0 CA-C-O 121.143 0.497 . . . . 0.0 111.905 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 41.1 tt0 . . . . . 0 CA--C 1.535 0.396 0 CA-C-O 120.502 0.191 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.574 ' NZ ' ' O ' ' A' ' 12' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.473 0.719 0 N-CA-C 108.191 -1.04 . . . . 0.0 108.191 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.574 ' O ' ' NZ ' ' A' ' 11' ' ' LYS . 11.7 m-30 . . . . . 0 N--CA 1.488 1.429 0 N-CA-C 113.125 0.787 . . . . 0.0 113.125 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.647 HD13 ' C ' ' A' ' 13' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.466 0.35 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 64.0 mtm-85 . . . . . 0 N--CA 1.465 0.315 0 CA-C-O 121.178 0.513 . . . . 0.0 111.653 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ACE . . . . . 0.543 ' O ' ' N ' ' A' ' 1' ' ' GLU . . . . . . . . 0 C--O 1.233 0.232 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 stop_ save_