data_2b5k_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 2b5k _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 7.3 t . . . . . 0 N--CA 1.491 1.61 0 CA-C-O 121.179 0.514 . . . . 0.0 110.037 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.574 ' CD2' ' O ' ' A' ' 5' ' ' PHE . 19.3 p90 -172.75 77.22 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.139 -0.976 . . . . 0.0 109.629 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.468 ' HA ' ' HA ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -43.63 100.31 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.468 -0.77 . . . . 0.0 110.286 -179.494 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.57 HG12 ' CE2' ' A' ' 5' ' ' PHE . 19.9 m -78.61 130.03 36.73 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.449 0 O-C-N 121.282 -0.886 . . . . 0.0 110.359 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.576 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 0.1 OUTLIER -99.18 143.82 29.01 Favored 'General case' 0 C--N 1.305 -1.344 0 O-C-N 121.275 -0.891 . . . . 0.0 110.428 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.501 ' HB2' ' CB ' ' A' ' 13' ' ' PHE . 0.1 OUTLIER -90.49 41.8 1.07 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.215 -0.928 . . . . 0.0 109.73 179.46 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 48.74 82.51 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.51 -0.744 . . . . 0.0 110.644 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.503 ' O ' ' CG ' ' A' ' 12' ' ' ARG . . . 147.23 -45.81 0.75 Allowed Glycine 0 N--CA 1.491 2.356 0 N-CA-C 109.756 -1.338 . . . . 0.0 109.756 179.668 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.52 ' O ' ' N ' ' A' ' 14' ' ' CYS . 0.0 OUTLIER 170.84 -38.58 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.289 -1.124 . . . . 0.0 109.548 -179.896 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.501 ' CB ' ' HB2' ' A' ' 9' ' ' TYR . 10.0 m-85 -50.53 90.82 0.0 OUTLIER 'General case' 0 C--N 1.299 -1.62 0 CA-C-O 121.546 0.689 . . . . 0.0 109.406 179.468 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.576 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 0.1 OUTLIER -116.97 112.97 21.72 Favored 'General case' 0 C--N 1.298 -1.646 0 O-C-N 121.566 -0.709 . . . . 0.0 109.436 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.467 ' O ' ' HA ' ' A' ' 6' ' ' ARG . 18.2 t80 -111.44 146.18 37.66 Favored 'General case' 0 N--CA 1.489 1.524 0 C-N-CA 119.236 -0.986 . . . . 0.0 110.406 -179.525 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.468 ' HA ' ' HA ' ' A' ' 6' ' ' ARG . 0.0 OUTLIER -101.62 120.03 39.69 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.323 -0.861 . . . . 0.0 110.319 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.7 tptp . . . . . 0 N--CA 1.491 1.615 0 O-C-N 121.279 -0.888 . . . . 0.0 110.024 179.816 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.453 ' O ' ' HB2' ' A' ' 5' ' ' PHE . 0.1 OUTLIER . . . . . 0 N--CA 1.501 2.08 0 CA-C-O 121.301 0.572 . . . . 0.0 110.318 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.453 ' HB2' ' O ' ' A' ' 4' ' ' CYS . 0.2 OUTLIER 174.41 78.32 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.186 -0.946 . . . . 0.0 109.739 -179.826 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.521 ' O ' ' CG ' ' A' ' 6' ' ' ARG . 0.0 OUTLIER -47.66 96.47 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.423 -0.798 . . . . 0.0 110.423 -179.6 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.43 ' N ' ' O ' ' A' ' 5' ' ' PHE . 25.6 m -82.65 129.75 36.92 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.367 0 O-C-N 121.146 -0.971 . . . . 0.0 110.154 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.569 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 63.7 m -91.49 142.24 27.87 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.261 -0.899 . . . . 0.0 110.424 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.429 ' N ' ' O ' ' A' ' 13' ' ' PHE . 1.1 t80 -88.91 43.18 1.13 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.278 -0.888 . . . . 0.0 110.304 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 10.4 ttt-85 50.55 95.42 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.383 -0.823 . . . . 0.0 110.597 179.612 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.454 ' O ' ' HB2' ' A' ' 12' ' ' ARG . . . 135.1 -50.64 0.85 Allowed Glycine 0 N--CA 1.491 2.327 0 N-CA-C 109.717 -1.353 . . . . 0.0 109.717 179.729 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.534 ' O ' ' N ' ' A' ' 14' ' ' CYS . 0.0 OUTLIER 173.86 -37.64 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.314 -1.109 . . . . 0.0 109.736 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.429 ' O ' ' N ' ' A' ' 9' ' ' TYR . 9.4 m-85 -48.32 89.12 0.0 OUTLIER 'General case' 0 C--N 1.301 -1.523 0 CA-C-O 121.551 0.691 . . . . 0.0 110.037 179.782 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.569 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 85.2 m -115.63 99.96 7.7 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.524 -0.735 . . . . 0.0 109.327 179.717 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.465 ' O ' ' HA ' ' A' ' 6' ' ' ARG . 42.2 t80 -113.35 160.83 17.96 Favored 'General case' 0 C--N 1.301 -1.513 0 C-N-CA 119.343 -0.943 . . . . 0.0 110.453 -179.562 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.473 ' HA ' ' HA ' ' A' ' 6' ' ' ARG . 59.7 mtt180 -97.4 84.87 3.52 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.307 -0.871 . . . . 0.0 110.436 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 41.6 mttm . . . . . 0 N--CA 1.492 1.631 0 O-C-N 121.267 -0.895 . . . . 0.0 109.95 179.73 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 60.5 m . . . . . 0 N--CA 1.492 1.637 0 CA-C-O 121.263 0.554 . . . . 0.0 110.27 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.47 ' O ' ' CG2' ' A' ' 7' ' ' VAL . 0.1 OUTLIER -173.79 76.54 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.226 -0.921 . . . . 0.0 109.616 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.2 ttp180 -48.38 114.86 1.04 Allowed 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.458 -0.776 . . . . 0.0 110.342 -179.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.472 ' O ' ' HA ' ' A' ' 14' ' ' CYS . 3.1 t -110.02 171.24 2.87 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.313 -0.867 . . . . 0.0 110.027 179.819 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.551 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 38.7 m -153.07 134.89 14.61 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.503 -0.748 . . . . 0.0 110.423 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.459 ' HB2' ' HB3' ' A' ' 13' ' ' PHE . 1.9 t80 -86.29 43.46 1.06 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.159 -0.963 . . . . 0.0 109.907 179.682 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.41 ' C ' ' O ' ' A' ' 9' ' ' TYR . 9.2 ttt180 42.7 85.53 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.449 -0.782 . . . . 0.0 110.417 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.436 ' O ' ' CB ' ' A' ' 12' ' ' ARG . . . 148.97 -46.7 0.66 Allowed Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.774 -1.33 . . . . 0.0 109.774 179.796 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.518 ' O ' ' N ' ' A' ' 14' ' ' CYS . 0.0 OUTLIER 171.18 -37.61 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.212 -1.169 . . . . 0.0 109.673 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.459 ' HB3' ' HB2' ' A' ' 9' ' ' TYR . 0.2 OUTLIER -53.91 87.61 0.0 OUTLIER 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.597 -0.69 . . . . 0.0 109.649 179.614 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.551 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 80.8 m -114.73 101.22 8.87 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.516 -0.74 . . . . 0.0 109.686 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.52 ' O ' ' CG ' ' A' ' 15' ' ' TYR . 3.1 p90 -107.05 126.52 52.44 Favored 'General case' 0 C--N 1.302 -1.461 0 C-N-CA 119.407 -0.917 . . . . 0.0 110.479 -179.678 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.3 mtt85 -73.73 128.45 35.55 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.241 -0.912 . . . . 0.0 110.148 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.7 ttmt . . . . . 0 N--CA 1.492 1.663 0 O-C-N 121.212 -0.93 . . . . 0.0 110.231 -179.944 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.501 2.087 0 CA-C-O 121.301 0.572 . . . . 0.0 110.041 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.522 ' O ' ' N ' ' A' ' 7' ' ' VAL . 0.1 OUTLIER -179.7 80.57 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.325 -0.859 . . . . 0.0 109.625 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.479 ' HA ' ' HA ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -50.69 88.69 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.454 -0.779 . . . . 0.0 110.383 -179.563 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.522 ' N ' ' O ' ' A' ' 5' ' ' PHE . 12.5 m -67.07 128.67 30.7 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.392 0 O-C-N 121.149 -0.969 . . . . 0.0 109.986 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.639 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 14.4 m -116.84 147.29 42.27 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.535 -0.728 . . . . 0.0 110.541 -179.582 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.459 ' HB2' ' O ' ' A' ' 13' ' ' PHE . 0.4 OUTLIER -95.43 43.22 1.09 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.253 -0.904 . . . . 0.0 109.967 179.688 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.415 ' C ' ' O ' ' A' ' 9' ' ' TYR . 18.4 mtm180 42.42 90.35 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.41 -0.807 . . . . 0.0 110.22 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.459 ' O ' ' CB ' ' A' ' 12' ' ' ARG . . . 144.06 -49.99 0.68 Allowed Glycine 0 N--CA 1.491 2.3 0 N-CA-C 109.576 -1.41 . . . . 0.0 109.576 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.467 ' O ' ' N ' ' A' ' 14' ' ' CYS . 0.0 OUTLIER 169.91 -36.95 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.228 -1.16 . . . . 0.0 109.742 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.459 ' O ' ' HB2' ' A' ' 9' ' ' TYR . 0.7 OUTLIER -60.2 83.2 0.01 OUTLIER 'General case' 0 C--N 1.298 -1.646 0 O-C-N 121.62 -0.675 . . . . 0.0 109.823 179.695 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.639 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 52.7 t -130.89 137.8 49.51 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.403 -0.811 . . . . 0.0 109.613 -179.837 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 47.5 t80 -135.15 162.58 32.12 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.14 -0.975 . . . . 0.0 110.466 -179.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.479 ' HA ' ' HA ' ' A' ' 6' ' ' ARG . 4.3 mtm180 -90.3 82.04 6.01 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.283 -0.885 . . . . 0.0 110.242 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 13.5 mtpt . . . . . 0 N--CA 1.492 1.631 0 O-C-N 121.209 -0.932 . . . . 0.0 110.219 179.956 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.421 ' O ' ' HB2' ' A' ' 5' ' ' PHE . 79.4 m . . . . . 0 N--CA 1.491 1.605 0 CA-C-O 121.252 0.548 . . . . 0.0 110.217 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.523 ' O ' ' N ' ' A' ' 7' ' ' VAL . 0.1 OUTLIER 176.12 79.63 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.315 -0.866 . . . . 0.0 109.557 -179.899 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.481 ' HA ' ' HA ' ' A' ' 16' ' ' ARG . 2.9 ttt-85 -43.75 93.19 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.426 -0.796 . . . . 0.0 110.476 -179.504 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.523 ' N ' ' O ' ' A' ' 5' ' ' PHE . 16.0 m -72.2 129.52 35.58 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.399 0 O-C-N 121.266 -0.896 . . . . 0.0 109.933 179.758 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.602 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 34.4 m -112.07 146.88 37.16 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.463 -0.773 . . . . 0.0 110.607 -179.74 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.473 ' N ' ' O ' ' A' ' 13' ' ' PHE . 2.3 t80 -93.95 41.07 1.08 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.3 -0.875 . . . . 0.0 109.887 179.762 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.9 ttm-85 44.45 91.32 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.416 -0.803 . . . . 0.0 110.215 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.447 ' O ' ' HB2' ' A' ' 12' ' ' ARG . . . 140.17 -50.81 0.75 Allowed Glycine 0 N--CA 1.49 2.266 0 N-CA-C 109.577 -1.409 . . . . 0.0 109.577 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.484 ' O ' ' N ' ' A' ' 14' ' ' CYS . 0.3 OUTLIER 173.59 -38.52 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.286 -1.126 . . . . 0.0 109.846 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.473 ' O ' ' N ' ' A' ' 9' ' ' TYR . 4.6 m-85 -58.43 83.61 0.01 OUTLIER 'General case' 0 C--N 1.299 -1.619 0 O-C-N 121.632 -0.667 . . . . 0.0 110.075 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.602 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 47.6 t -130.29 140.08 50.69 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.373 -0.83 . . . . 0.0 109.38 179.8 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.412 ' O ' ' HA ' ' A' ' 6' ' ' ARG . 43.1 t80 -138.96 162.7 34.24 Favored 'General case' 0 C--N 1.301 -1.52 0 C-N-CA 119.245 -0.982 . . . . 0.0 110.646 -179.592 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.481 ' HA ' ' HA ' ' A' ' 6' ' ' ARG . 2.7 ptt180 -98.42 128.05 44.63 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.33 -0.856 . . . . 0.0 110.091 179.816 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.493 1.683 0 O-C-N 121.266 -0.896 . . . . 0.0 110.371 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.473 ' O ' ' CD2' ' A' ' 5' ' ' PHE . 49.0 t . . . . . 0 N--CA 1.491 1.585 0 CA-C-O 121.145 0.498 . . . . 0.0 110.203 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.473 ' CD2' ' O ' ' A' ' 4' ' ' CYS . 0.2 OUTLIER 173.52 80.44 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.132 -0.98 . . . . 0.0 109.767 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.512 ' HA ' ' HA ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -43.35 97.63 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.422 -0.799 . . . . 0.0 110.396 -179.563 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.485 ' O ' ' HA ' ' A' ' 14' ' ' CYS . 25.7 m -82.83 129.0 38.18 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.389 0 O-C-N 121.338 -0.851 . . . . 0.0 110.16 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.633 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 18.2 m -110.89 154.53 23.92 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.469 -0.769 . . . . 0.0 110.502 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.475 ' HB2' ' O ' ' A' ' 13' ' ' PHE . 0.2 OUTLIER -103.64 43.86 1.06 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.257 -0.902 . . . . 0.0 109.881 179.633 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' A' ' 9' ' ' TYR . 0.4 OUTLIER 42.35 88.2 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.449 -0.782 . . . . 0.0 110.368 -179.92 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.505 ' O ' ' CB ' ' A' ' 12' ' ' ARG . . . 144.97 -48.7 0.7 Allowed Glycine 0 N--CA 1.489 2.224 0 N-CA-C 109.612 -1.395 . . . . 0.0 109.612 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.505 ' CB ' ' O ' ' A' ' 11' ' ' GLY . 0.0 OUTLIER 168.74 -36.23 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.237 -1.155 . . . . 0.0 109.776 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.475 ' O ' ' HB2' ' A' ' 9' ' ' TYR . 34.3 m-85 -59.43 81.14 0.01 OUTLIER 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.636 -0.665 . . . . 0.0 110.117 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.633 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 42.5 t -129.7 138.36 51.11 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.234 -0.916 . . . . 0.0 109.275 179.635 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.464 ' CD1' ' N ' ' A' ' 16' ' ' ARG . 47.4 t80 -137.23 158.8 43.62 Favored 'General case' 0 C--N 1.3 -1.554 0 C-N-CA 119.219 -0.992 . . . . 0.0 110.72 -179.346 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.512 ' HA ' ' HA ' ' A' ' 6' ' ' ARG . 2.6 ptt180 -96.89 69.92 2.43 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.319 -0.863 . . . . 0.0 109.872 179.616 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.492 1.631 0 O-C-N 121.366 -0.834 . . . . 0.0 110.094 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 5.5 t . . . . . 0 N--CA 1.492 1.655 0 CA-C-O 121.218 0.532 . . . . 0.0 110.074 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -178.88 77.51 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.241 -0.912 . . . . 0.0 109.678 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.414 ' HA ' ' HA ' ' A' ' 16' ' ' ARG . 0.3 OUTLIER -58.93 92.13 0.02 OUTLIER 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.458 -0.777 . . . . 0.0 110.258 -179.655 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.4 ' O ' HG21 ' A' ' 7' ' ' VAL . 14.2 m -103.35 130.3 53.86 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.346 0 O-C-N 121.284 -0.885 . . . . 0.0 109.99 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.561 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 6.1 t -110.55 156.88 20.3 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 121.167 -0.958 . . . . 0.0 110.966 -179.808 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -86.72 42.07 0.99 Allowed 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.541 -0.724 . . . . 0.0 109.53 179.117 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.7 ttt85 43.13 84.24 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.529 -0.732 . . . . 0.0 110.559 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.474 ' O ' ' CB ' ' A' ' 12' ' ' ARG . . . 161.48 -48.95 0.36 Allowed Glycine 0 N--CA 1.491 2.347 0 N-CA-C 109.871 -1.292 . . . . 0.0 109.871 179.649 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.474 ' CB ' ' O ' ' A' ' 11' ' ' GLY . 2.4 mtt180 169.59 -37.49 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.202 -1.175 . . . . 0.0 109.626 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.425 ' C ' ' SG ' ' A' ' 8' ' ' CYS . 2.3 m-85 -63.02 83.55 0.02 OUTLIER 'General case' 0 C--N 1.298 -1.642 0 O-C-N 121.588 -0.695 . . . . 0.0 109.254 179.364 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.561 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 10.3 m -108.46 111.75 23.8 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.446 -0.784 . . . . 0.0 109.161 -179.704 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.42 ' CZ ' ' O ' ' A' ' 16' ' ' ARG . 27.5 t80 -107.96 154.04 22.2 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 120.907 -1.12 . . . . 0.0 110.13 -179.569 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.42 ' O ' ' CZ ' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -105.23 131.35 52.81 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.204 -0.935 . . . . 0.0 110.147 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.595 0 O-C-N 121.21 -0.931 . . . . 0.0 110.257 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.419 ' O ' ' CG ' ' A' ' 5' ' ' PHE . 57.7 m . . . . . 0 N--CA 1.492 1.626 0 CA-C-O 121.272 0.558 . . . . 0.0 110.321 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.525 ' HB2' ' CG ' ' A' ' 17' ' ' LYS . 0.2 OUTLIER 179.04 78.6 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.296 -0.877 . . . . 0.0 109.586 179.948 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.508 ' O ' ' CG ' ' A' ' 6' ' ' ARG . 0.0 OUTLIER -41.73 94.56 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.5 -0.75 . . . . 0.0 110.497 -179.552 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.498 ' N ' ' O ' ' A' ' 5' ' ' PHE . 2.7 t -77.13 170.26 1.55 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 O-C-N 121.264 -0.897 . . . . 0.0 109.945 179.76 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.563 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 34.8 m -154.28 134.76 13.44 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.393 -0.817 . . . . 0.0 110.519 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.414 ' O ' ' C ' ' A' ' 10' ' ' ARG . 1.6 t80 -86.66 42.95 1.04 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.151 -0.968 . . . . 0.0 109.889 179.527 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.455 ' HG2' ' O ' ' A' ' 10' ' ' ARG . 14.1 ttp180 42.27 83.21 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.446 -0.784 . . . . 0.0 110.469 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.465 ' O ' ' CB ' ' A' ' 12' ' ' ARG . . . 151.82 -45.94 0.61 Allowed Glycine 0 N--CA 1.491 2.317 0 N-CA-C 109.751 -1.34 . . . . 0.0 109.751 179.716 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.516 ' O ' ' N ' ' A' ' 14' ' ' CYS . 0.0 OUTLIER 171.1 -38.05 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.222 -1.163 . . . . 0.0 109.555 -179.864 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.41 ' HB3' ' HB2' ' A' ' 9' ' ' TYR . 0.4 OUTLIER -54.3 87.77 0.01 OUTLIER 'General case' 0 C--N 1.299 -1.609 0 CA-C-O 121.48 0.657 . . . . 0.0 109.627 179.523 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.563 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 69.5 m -115.26 102.36 9.8 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 121.531 -0.731 . . . . 0.0 109.689 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.571 ' O ' ' CG ' ' A' ' 15' ' ' TYR . 2.4 p90 -109.0 121.85 46.02 Favored 'General case' 0 C--N 1.301 -1.505 0 C-N-CA 119.39 -0.924 . . . . 0.0 110.33 -179.708 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.404 ' HA ' ' HA ' ' A' ' 6' ' ' ARG . 1.0 OUTLIER -58.61 125.24 22.57 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.21 -0.931 . . . . 0.0 110.21 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.525 ' CG ' ' HB2' ' A' ' 5' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.621 0 O-C-N 121.273 -0.892 . . . . 0.0 110.236 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.5 t . . . . . 0 N--CA 1.491 1.607 0 CA-C-O 121.217 0.532 . . . . 0.0 110.064 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.635 ' CD2' ' CG2' ' A' ' 7' ' ' VAL . 6.1 p90 -174.73 78.37 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.186 -0.946 . . . . 0.0 109.558 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.485 ' HA ' ' HA ' ' A' ' 16' ' ' ARG . 3.8 ttt180 -52.01 97.65 0.02 OUTLIER 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.569 -0.707 . . . . 0.0 110.658 -179.339 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.635 ' CG2' ' CD2' ' A' ' 5' ' ' PHE . 2.5 t -87.76 164.91 2.2 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 121.278 -0.889 . . . . 0.0 109.718 179.517 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.615 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 5.4 t -151.63 154.42 36.36 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.235 -0.916 . . . . 0.0 111.098 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.4 ' O ' ' C ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -86.15 42.69 1.0 Allowed 'General case' 0 N--CA 1.49 1.558 0 CA-C-O 121.536 0.684 . . . . 0.0 109.396 179.033 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.519 ' N ' ' HD3' ' A' ' 10' ' ' ARG . 2.6 mpp_? 42.28 84.08 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.497 -0.752 . . . . 0.0 110.24 -179.71 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.47 ' O ' ' CB ' ' A' ' 12' ' ' ARG . . . 163.52 -49.31 0.31 Allowed Glycine 0 N--CA 1.491 2.343 0 N-CA-C 109.917 -1.273 . . . . 0.0 109.917 179.794 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.47 ' CB ' ' O ' ' A' ' 11' ' ' GLY . 0.2 OUTLIER 169.69 -37.77 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.271 -1.135 . . . . 0.0 109.626 -179.862 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.421 ' C ' ' SG ' ' A' ' 8' ' ' CYS . 10.4 m-85 -64.66 85.9 0.05 OUTLIER 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.593 -0.692 . . . . 0.0 109.239 179.351 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.615 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 7.8 m -109.83 136.53 49.0 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.427 -0.796 . . . . 0.0 108.871 -179.745 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.465 ' O ' ' HA ' ' A' ' 6' ' ' ARG . 18.7 t80 -119.32 147.28 44.49 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 120.831 -1.168 . . . . 0.0 110.53 -179.72 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.485 ' HA ' ' HA ' ' A' ' 6' ' ' ARG . 7.5 mtm180 -109.99 98.47 7.76 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.33 -0.856 . . . . 0.0 110.133 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.534 ' HB2' ' CZ ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.619 0 O-C-N 121.286 -0.884 . . . . 0.0 110.192 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 2.3 t . . . . . 0 N--CA 1.491 1.622 0 CA-C-O 121.207 0.527 . . . . 0.0 110.118 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.528 ' O ' ' CG2' ' A' ' 7' ' ' VAL . 0.1 OUTLIER -178.09 81.37 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.179 -0.951 . . . . 0.0 109.488 179.902 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 15.9 ttm-85 -55.41 107.98 0.38 Allowed 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.345 -0.847 . . . . 0.0 110.373 -179.46 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.528 ' CG2' ' O ' ' A' ' 5' ' ' PHE . 4.5 t -124.16 167.93 17.42 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.229 -0.92 . . . . 0.0 109.987 179.689 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.585 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 14.6 t -153.43 157.85 40.53 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.375 -0.828 . . . . 0.0 110.884 179.716 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.427 ' O ' ' C ' ' A' ' 10' ' ' ARG . 5.5 t80 -86.87 42.12 1.0 Allowed 'General case' 0 C--N 1.3 -1.554 0 C-N-CA 120.029 -0.669 . . . . 0.0 109.415 179.014 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.427 ' C ' ' O ' ' A' ' 9' ' ' TYR . 10.4 ttm180 40.43 81.4 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.641 -0.662 . . . . 0.0 110.458 -179.685 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.41 ' O ' ' CB ' ' A' ' 12' ' ' ARG . . . 160.99 -47.36 0.38 Allowed Glycine 0 N--CA 1.491 2.365 0 C-N-CA 119.537 -1.316 . . . . 0.0 110.108 179.77 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.512 ' O ' ' N ' ' A' ' 14' ' ' CYS . 0.9 OUTLIER 175.18 -39.8 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.143 -1.21 . . . . 0.0 109.71 -179.827 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.427 ' C ' ' SG ' ' A' ' 8' ' ' CYS . 10.9 m-30 -61.36 79.85 0.01 OUTLIER 'General case' 0 C--N 1.298 -1.646 0 C-N-CA 119.897 -0.721 . . . . 0.0 109.382 179.448 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.585 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 6.9 m -110.15 99.41 8.48 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.346 -0.846 . . . . 0.0 109.123 -179.726 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -111.33 135.6 51.64 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.083 -1.011 . . . . 0.0 110.493 -179.377 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.8 mtt180 -72.56 135.24 45.53 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.256 -0.903 . . . . 0.0 110.09 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.491 1.602 0 O-C-N 121.249 -0.907 . . . . 0.0 110.278 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.451 ' O ' ' HB2' ' A' ' 5' ' ' PHE . 75.7 m . . . . . 0 N--CA 1.491 1.611 0 CA-C-O 121.266 0.555 . . . . 0.0 110.403 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.52 ' O ' ' N ' ' A' ' 7' ' ' VAL . 0.9 OUTLIER 176.91 79.75 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.35 -0.844 . . . . 0.0 109.511 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.453 ' HA ' ' HA ' ' A' ' 16' ' ' ARG . 7.9 ttt180 -47.43 90.73 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.526 -0.734 . . . . 0.0 110.507 -179.408 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.52 ' N ' ' O ' ' A' ' 5' ' ' PHE . 3.0 t -70.34 172.42 0.91 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.688 0 O-C-N 121.287 -0.883 . . . . 0.0 109.971 179.695 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.563 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 39.9 m -149.11 140.56 23.32 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.529 -0.732 . . . . 0.0 110.469 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -91.15 43.3 1.14 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.175 -0.953 . . . . 0.0 109.823 179.572 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.46 ' O ' ' HD2' ' A' ' 10' ' ' ARG . 0.5 OUTLIER 46.87 90.76 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.447 -0.783 . . . . 0.0 110.463 179.945 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.475 ' O ' ' HB2' ' A' ' 12' ' ' ARG . . . 142.23 -50.52 0.71 Allowed Glycine 0 N--CA 1.491 2.308 0 N-CA-C 109.703 -1.359 . . . . 0.0 109.703 179.818 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.533 ' O ' ' N ' ' A' ' 14' ' ' CYS . 0.2 OUTLIER 173.28 -38.7 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.402 -1.058 . . . . 0.0 109.55 179.941 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -50.2 89.32 0.0 OUTLIER 'General case' 0 C--N 1.299 -1.61 0 CA-C-O 121.491 0.663 . . . . 0.0 109.676 179.577 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.563 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 95.7 m -117.64 119.47 35.09 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.529 -0.732 . . . . 0.0 109.618 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -115.14 130.37 56.91 Favored 'General case' 0 C--N 1.301 -1.508 0 C-N-CA 119.075 -1.05 . . . . 0.0 110.464 -179.829 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.453 ' HA ' ' HA ' ' A' ' 6' ' ' ARG . 3.1 ptt180 -79.41 94.13 5.49 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.283 -0.885 . . . . 0.0 110.121 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.431 ' HG3' HG23 ' A' ' 7' ' ' VAL . 3.9 mtmt . . . . . 0 N--CA 1.492 1.663 0 O-C-N 121.262 -0.899 . . . . 0.0 110.229 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 62.4 m . . . . . 0 N--CA 1.491 1.623 0 CA-C-O 121.23 0.538 . . . . 0.0 110.16 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.496 ' O ' ' N ' ' A' ' 7' ' ' VAL . 0.1 OUTLIER 177.69 78.73 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.271 -0.893 . . . . 0.0 109.742 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.476 ' HA ' ' HA ' ' A' ' 16' ' ' ARG . 14.8 ttp180 -51.29 89.37 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.408 -0.808 . . . . 0.0 110.351 -179.627 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.499 ' O ' ' HA ' ' A' ' 14' ' ' CYS . 16.5 m -72.98 128.82 36.04 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.438 0 O-C-N 121.166 -0.959 . . . . 0.0 110.063 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.621 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 13.5 m -118.57 146.33 44.68 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.476 -0.765 . . . . 0.0 110.375 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.432 ' O ' ' C ' ' A' ' 10' ' ' ARG . 0.3 OUTLIER -95.38 43.21 1.09 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.28 -0.888 . . . . 0.0 109.997 179.912 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.432 ' C ' ' O ' ' A' ' 9' ' ' TYR . 0.0 OUTLIER 41.22 89.17 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.519 -0.738 . . . . 0.0 110.344 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.489 ' O ' ' CB ' ' A' ' 12' ' ' ARG . . . 146.26 -49.21 0.65 Allowed Glycine 0 N--CA 1.49 2.241 0 N-CA-C 109.575 -1.41 . . . . 0.0 109.575 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.489 ' CB ' ' O ' ' A' ' 11' ' ' GLY . 0.0 OUTLIER 169.36 -36.41 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.284 -1.127 . . . . 0.0 109.822 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -62.59 83.03 0.02 OUTLIER 'General case' 0 C--N 1.299 -1.612 0 O-C-N 121.552 -0.717 . . . . 0.0 109.978 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.621 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 49.3 t -130.58 138.56 50.21 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.348 -0.845 . . . . 0.0 109.573 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 10.5 t80 -132.42 163.92 27.67 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.159 -0.963 . . . . 0.0 110.482 -179.689 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.476 ' HA ' ' HA ' ' A' ' 6' ' ' ARG . 0.0 OUTLIER -99.21 118.13 35.23 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.309 -0.869 . . . . 0.0 110.252 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.603 0 O-C-N 121.253 -0.904 . . . . 0.0 110.182 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.456 ' O ' ' HB2' ' A' ' 5' ' ' PHE . 2.1 t . . . . . 0 N--CA 1.491 1.604 0 CA-C-O 121.236 0.541 . . . . 0.0 110.174 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.519 ' O ' ' CG2' ' A' ' 7' ' ' VAL . 0.3 OUTLIER -179.97 78.57 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.283 -0.886 . . . . 0.0 109.666 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.455 ' HA ' ' HA ' ' A' ' 16' ' ' ARG . 22.6 ttt180 -55.85 111.42 0.92 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.406 -0.809 . . . . 0.0 110.404 -179.487 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.519 ' CG2' ' O ' ' A' ' 5' ' ' PHE . 2.5 t -117.96 162.37 16.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 121.266 -0.896 . . . . 0.0 109.898 179.706 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.566 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 81.9 m -118.83 140.69 49.55 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.454 -0.779 . . . . 0.0 110.65 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -84.49 36.25 0.58 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.246 -0.909 . . . . 0.0 110.336 179.297 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 20.4 mtp180 45.32 95.85 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.45 -0.781 . . . . 0.0 111.27 179.445 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.549 ' O ' ' CB ' ' A' ' 12' ' ' ARG . . . 150.78 -57.24 0.45 Allowed Glycine 0 N--CA 1.49 2.268 0 N-CA-C 109.781 -1.328 . . . . 0.0 109.781 179.285 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.549 ' CB ' ' O ' ' A' ' 11' ' ' GLY . 0.1 OUTLIER 163.31 47.41 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.619 -0.93 . . . . 0.0 109.536 -179.799 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -152.58 95.38 2.01 Favored 'General case' 0 C--N 1.297 -1.69 0 O-C-N 121.573 -0.704 . . . . 0.0 109.915 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.566 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 84.9 m -106.51 109.11 20.94 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.31 -0.869 . . . . 0.0 108.91 179.488 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -106.75 144.49 33.33 Favored 'General case' 0 C--N 1.302 -1.498 0 C-N-CA 118.939 -1.104 . . . . 0.0 110.353 -179.34 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.455 ' HA ' ' HA ' ' A' ' 6' ' ' ARG . 11.8 mtm180 -85.63 118.43 25.13 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.246 -0.909 . . . . 0.0 110.272 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.1 mmtt . . . . . 0 N--CA 1.49 1.546 0 O-C-N 121.247 -0.908 . . . . 0.0 110.151 179.906 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.467 ' O ' ' HB2' ' A' ' 5' ' ' PHE . 2.2 t . . . . . 0 N--CA 1.491 1.584 0 CA-C-O 121.248 0.547 . . . . 0.0 110.222 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.469 ' O ' ' N ' ' A' ' 7' ' ' VAL . 2.8 t80 -178.94 76.5 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.301 -0.875 . . . . 0.0 109.782 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.513 ' O ' ' CG ' ' A' ' 6' ' ' ARG . 0.1 OUTLIER -44.38 96.33 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.417 -0.802 . . . . 0.0 110.249 -179.674 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.602 ' CG2' ' CE2' ' A' ' 15' ' ' TYR . 24.7 m -90.99 130.64 39.85 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.336 0 O-C-N 121.284 -0.885 . . . . 0.0 110.124 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.535 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 74.1 m -92.18 136.99 32.74 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.184 -0.948 . . . . 0.0 110.692 -179.742 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 9.8 t80 -82.65 39.47 0.62 Allowed 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.26 -0.9 . . . . 0.0 110.338 179.292 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.1 mtt180 40.73 93.6 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.436 -0.79 . . . . 0.0 111.318 179.527 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.554 ' O ' ' CB ' ' A' ' 12' ' ' ARG . . . 153.48 -56.46 0.43 Allowed Glycine 0 N--CA 1.491 2.322 0 N-CA-C 109.879 -1.288 . . . . 0.0 109.879 179.19 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.554 ' CB ' ' O ' ' A' ' 11' ' ' GLY . 0.0 OUTLIER 162.43 48.5 0.0 OUTLIER 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.697 -0.884 . . . . 0.0 109.336 -179.67 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.538 ' CD2' ' O ' ' A' ' 12' ' ' ARG . 34.4 m-85 -153.36 95.31 1.91 Allowed 'General case' 0 C--N 1.296 -1.733 0 O-C-N 121.661 -0.65 . . . . 0.0 109.867 -179.835 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.535 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 81.3 m -107.58 102.19 11.46 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.275 -0.891 . . . . 0.0 109.42 179.812 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.602 ' CE2' ' CG2' ' A' ' 7' ' ' VAL . 2.3 p90 -101.31 147.41 26.34 Favored 'General case' 0 C--N 1.301 -1.528 0 C-N-CA 119.287 -0.965 . . . . 0.0 110.388 -179.397 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.522 ' O ' ' CG ' ' A' ' 16' ' ' ARG . 17.5 ptt180 -95.0 113.52 25.23 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.197 -0.939 . . . . 0.0 110.091 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 52.9 tttt . . . . . 0 N--CA 1.492 1.641 0 O-C-N 121.178 -0.951 . . . . 0.0 110.252 -179.937 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 11.0 t . . . . . 0 N--CA 1.49 1.568 0 CA-C-O 121.307 0.575 . . . . 0.0 110.38 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 176.06 77.34 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.337 -0.852 . . . . 0.0 109.534 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 8.3 ttp180 -57.73 94.18 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.458 -0.776 . . . . 0.0 110.365 -179.54 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 4.1 m -113.6 130.85 66.92 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.345 0 O-C-N 121.266 -0.896 . . . . 0.0 109.838 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.571 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 10.1 t -110.62 159.11 17.87 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.082 -1.011 . . . . 0.0 110.985 -179.678 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.43 ' O ' ' C ' ' A' ' 10' ' ' ARG . 4.2 m-85 -86.45 42.31 0.99 Allowed 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.583 -0.698 . . . . 0.0 109.503 179.14 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.43 ' C ' ' O ' ' A' ' 9' ' ' TYR . 6.3 ttp180 40.7 82.0 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.555 -0.716 . . . . 0.0 110.486 -179.759 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.464 ' O ' ' CB ' ' A' ' 12' ' ' ARG . . . 160.6 -47.48 0.39 Allowed Glycine 0 N--CA 1.491 2.342 0 C-N-CA 119.596 -1.288 . . . . 0.0 110.065 179.747 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.464 ' CB ' ' O ' ' A' ' 11' ' ' GLY . 1.8 mtp180 172.09 -37.97 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.136 -1.214 . . . . 0.0 109.842 -179.851 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.424 ' C ' ' SG ' ' A' ' 8' ' ' CYS . 2.8 m-85 -62.12 82.04 0.02 OUTLIER 'General case' 0 C--N 1.298 -1.632 0 O-C-N 121.512 -0.743 . . . . 0.0 109.334 179.43 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.571 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 7.8 m -109.84 106.81 16.55 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.301 -0.874 . . . . 0.0 109.273 -179.704 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 23.6 t80 -110.64 145.33 38.11 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 120.977 -1.077 . . . . 0.0 110.243 -179.547 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.403 ' O ' ' CG ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -101.68 127.68 48.32 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.22 -0.925 . . . . 0.0 110.113 179.918 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.7 tttp . . . . . 0 N--CA 1.491 1.625 0 O-C-N 121.264 -0.898 . . . . 0.0 110.205 -179.952 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.437 ' O ' ' CB ' ' A' ' 5' ' ' PHE . 1.7 t . . . . . 0 N--CA 1.492 1.639 0 CA-C-O 121.264 0.554 . . . . 0.0 110.36 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.516 ' O ' ' N ' ' A' ' 7' ' ' VAL . 0.1 OUTLIER 172.44 80.79 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.317 -0.864 . . . . 0.0 109.604 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.528 ' O ' ' CG ' ' A' ' 6' ' ' ARG . 0.1 OUTLIER -41.09 94.16 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.472 -0.767 . . . . 0.0 110.562 -179.485 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.578 HG22 ' CE2' ' A' ' 15' ' ' TYR . 23.5 m -82.45 129.94 36.61 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.401 0 O-C-N 121.199 -0.938 . . . . 0.0 110.278 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.64 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 17.0 m -112.03 150.72 30.24 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.433 -0.792 . . . . 0.0 110.487 -179.849 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.427 ' HB2' ' O ' ' A' ' 13' ' ' PHE . 2.3 m-85 -99.51 43.86 1.04 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.268 -0.895 . . . . 0.0 109.977 179.748 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 9' ' ' TYR . 12.0 mtt180 41.91 89.76 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.47 -0.769 . . . . 0.0 110.373 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.491 ' O ' ' CB ' ' A' ' 12' ' ' ARG . . . 144.21 -49.77 0.68 Allowed Glycine 0 N--CA 1.49 2.29 0 N-CA-C 109.518 -1.433 . . . . 0.0 109.518 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.491 ' CB ' ' O ' ' A' ' 11' ' ' GLY . 0.0 OUTLIER 169.83 -36.91 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.262 -1.14 . . . . 0.0 109.749 -180.0 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.427 ' O ' ' HB2' ' A' ' 9' ' ' TYR . 3.1 m-85 -59.96 82.63 0.01 OUTLIER 'General case' 0 C--N 1.299 -1.619 0 O-C-N 121.582 -0.699 . . . . 0.0 110.017 179.793 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.64 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 50.2 t -130.96 136.17 48.31 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.376 -0.828 . . . . 0.0 109.28 179.831 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.578 ' CE2' HG22 ' A' ' 7' ' ' VAL . 12.5 p90 -140.99 162.29 35.82 Favored 'General case' 0 C--N 1.3 -1.559 0 C-N-CA 119.124 -1.03 . . . . 0.0 110.62 -179.729 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.471 ' HA ' ' HA ' ' A' ' 6' ' ' ARG . 5.5 ptp180 -77.55 120.25 22.26 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.282 -0.886 . . . . 0.0 110.327 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.544 0 O-C-N 121.272 -0.892 . . . . 0.0 110.125 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.466 ' O ' ' HB2' ' A' ' 5' ' ' PHE . 69.1 m . . . . . 0 N--CA 1.492 1.627 0 CA-C-O 121.211 0.529 . . . . 0.0 110.137 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.52 ' O ' ' N ' ' A' ' 7' ' ' VAL . 3.0 t80 -179.95 79.37 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.227 -0.921 . . . . 0.0 109.66 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.466 ' HA ' ' HA ' ' A' ' 16' ' ' ARG . 0.1 OUTLIER -50.41 89.87 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.401 -0.812 . . . . 0.0 110.213 -179.645 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.52 ' N ' ' O ' ' A' ' 5' ' ' PHE . 16.8 m -74.05 129.16 36.59 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 O-C-N 121.239 -0.913 . . . . 0.0 110.258 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.609 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 15.0 m -117.55 146.38 43.62 Favored 'General case' 0 C--N 1.305 -1.361 0 O-C-N 121.523 -0.735 . . . . 0.0 110.348 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.422 ' O ' ' C ' ' A' ' 10' ' ' ARG . 0.3 OUTLIER -95.29 43.52 1.09 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.232 -0.917 . . . . 0.0 110.114 179.849 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.422 ' C ' ' O ' ' A' ' 9' ' ' TYR . 27.0 mtt-85 41.92 89.83 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.404 -0.81 . . . . 0.0 110.342 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.483 ' O ' ' CB ' ' A' ' 12' ' ' ARG . . . 144.78 -49.7 0.67 Allowed Glycine 0 N--CA 1.49 2.261 0 N-CA-C 109.615 -1.394 . . . . 0.0 109.615 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.483 ' CB ' ' O ' ' A' ' 11' ' ' GLY . 0.0 OUTLIER 169.8 -36.58 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.211 -1.17 . . . . 0.0 109.79 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 46.6 m-85 -61.31 82.91 0.01 OUTLIER 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.505 -0.747 . . . . 0.0 109.967 179.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.609 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 53.9 t -130.68 140.68 50.38 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.396 -0.815 . . . . 0.0 109.501 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.452 ' O ' ' HA ' ' A' ' 6' ' ' ARG . 11.0 t80 -133.65 166.92 21.48 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.154 -0.966 . . . . 0.0 110.43 -179.731 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.473 ' O ' ' CG ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -108.63 94.97 5.34 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.266 -0.896 . . . . 0.0 110.132 179.895 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 42.8 mttt . . . . . 0 N--CA 1.491 1.61 0 O-C-N 121.225 -0.922 . . . . 0.0 110.285 -179.916 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.541 ' O ' ' CG ' ' A' ' 2' ' ' ARG . 0.4 OUTLIER . . . . . 0 N--CA 1.492 1.654 0 CA-C-O 121.031 0.443 . . . . 0.0 110.227 . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.541 ' CG ' ' O ' ' A' ' 1' ' ' ARG . 7.6 ptp85 37.81 -161.13 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.696 -0.627 . . . . 0.0 110.916 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.435 ' O ' ' O ' ' A' ' 4' ' ' CYS . 11.4 m0 42.75 65.96 0.85 Allowed 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.241 -0.912 . . . . 0.0 110.344 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.444 ' SG ' ' N ' ' A' ' 18' ' ' CYS . 7.3 t -48.39 176.33 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.386 -0.821 . . . . 0.0 110.037 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.574 ' O ' ' CD2' ' A' ' 5' ' ' PHE . 19.3 p90 -172.75 77.22 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.139 -0.976 . . . . 0.0 109.629 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.468 ' HA ' ' HA ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -43.63 100.31 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.468 -0.77 . . . . 0.0 110.286 -179.494 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.57 HG12 ' CE2' ' A' ' 5' ' ' PHE . 19.9 m -78.61 130.03 36.73 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.449 0 O-C-N 121.282 -0.886 . . . . 0.0 110.359 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.576 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 0.1 OUTLIER -99.18 143.82 29.01 Favored 'General case' 0 C--N 1.305 -1.344 0 O-C-N 121.275 -0.891 . . . . 0.0 110.428 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.501 ' HB2' ' CB ' ' A' ' 13' ' ' PHE . 0.1 OUTLIER -90.49 41.8 1.07 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.215 -0.928 . . . . 0.0 109.73 179.46 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 48.74 82.51 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.51 -0.744 . . . . 0.0 110.644 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.503 ' O ' ' CG ' ' A' ' 12' ' ' ARG . . . 147.23 -45.81 0.75 Allowed Glycine 0 N--CA 1.491 2.356 0 N-CA-C 109.756 -1.338 . . . . 0.0 109.756 179.668 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.52 ' O ' ' N ' ' A' ' 14' ' ' CYS . 0.0 OUTLIER 170.84 -38.58 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.289 -1.124 . . . . 0.0 109.548 -179.896 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.501 ' CB ' ' HB2' ' A' ' 9' ' ' TYR . 10.0 m-85 -50.53 90.82 0.0 OUTLIER 'General case' 0 C--N 1.299 -1.62 0 CA-C-O 121.546 0.689 . . . . 0.0 109.406 179.468 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.576 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 0.1 OUTLIER -116.97 112.97 21.72 Favored 'General case' 0 C--N 1.298 -1.646 0 O-C-N 121.566 -0.709 . . . . 0.0 109.436 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.467 ' O ' ' HA ' ' A' ' 6' ' ' ARG . 18.2 t80 -111.44 146.18 37.66 Favored 'General case' 0 N--CA 1.489 1.524 0 C-N-CA 119.236 -0.986 . . . . 0.0 110.406 -179.525 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.468 ' HA ' ' HA ' ' A' ' 6' ' ' ARG . 0.0 OUTLIER -101.62 120.03 39.69 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.323 -0.861 . . . . 0.0 110.319 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 18' ' ' CYS . 1.7 tptp -107.91 45.14 1.03 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.279 -0.888 . . . . 0.0 110.024 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.444 ' N ' ' SG ' ' A' ' 4' ' ' CYS . 60.1 m -44.63 122.8 3.3 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.295 -0.878 . . . . 0.0 110.211 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.1 mtm180 55.12 22.59 4.66 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.239 -0.913 . . . . 0.0 110.181 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.341 0 O-C-N 119.882 -1.762 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.443 ' O ' ' CB ' ' A' ' 2' ' ' ARG . 1.9 ptp180 . . . . . 0 N--CA 1.492 1.645 0 CA-C-O 121.201 0.525 . . . . 0.0 110.22 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.443 ' CB ' ' O ' ' A' ' 1' ' ' ARG . 0.0 OUTLIER 65.7 -148.82 0.22 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.281 -0.887 . . . . 0.0 110.246 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.465 ' O ' ' O ' ' A' ' 4' ' ' CYS . 0.0 OUTLIER 42.04 54.36 4.07 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.36 -0.837 . . . . 0.0 109.994 -179.887 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.49 ' HA ' ' HA ' ' A' ' 18' ' ' CYS . 0.1 OUTLIER 43.78 -170.65 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.08 0 O-C-N 121.706 -0.621 . . . . 0.0 110.318 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.453 ' HB2' ' O ' ' A' ' 4' ' ' CYS . 0.2 OUTLIER 174.41 78.32 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.186 -0.946 . . . . 0.0 109.739 -179.826 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.521 ' O ' ' CG ' ' A' ' 6' ' ' ARG . 0.0 OUTLIER -47.66 96.47 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.423 -0.798 . . . . 0.0 110.423 -179.6 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.43 ' N ' ' O ' ' A' ' 5' ' ' PHE . 25.6 m -82.65 129.75 36.92 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.367 0 O-C-N 121.146 -0.971 . . . . 0.0 110.154 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.569 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 63.7 m -91.49 142.24 27.87 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.261 -0.899 . . . . 0.0 110.424 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.429 ' N ' ' O ' ' A' ' 13' ' ' PHE . 1.1 t80 -88.91 43.18 1.13 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.278 -0.888 . . . . 0.0 110.304 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 10.4 ttt-85 50.55 95.42 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.383 -0.823 . . . . 0.0 110.597 179.612 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.454 ' O ' ' HB2' ' A' ' 12' ' ' ARG . . . 135.1 -50.64 0.85 Allowed Glycine 0 N--CA 1.491 2.327 0 N-CA-C 109.717 -1.353 . . . . 0.0 109.717 179.729 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.534 ' O ' ' N ' ' A' ' 14' ' ' CYS . 0.0 OUTLIER 173.86 -37.64 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.314 -1.109 . . . . 0.0 109.736 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.429 ' O ' ' N ' ' A' ' 9' ' ' TYR . 9.4 m-85 -48.32 89.12 0.0 OUTLIER 'General case' 0 C--N 1.301 -1.523 0 CA-C-O 121.551 0.691 . . . . 0.0 110.037 179.782 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.569 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 85.2 m -115.63 99.96 7.7 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.524 -0.735 . . . . 0.0 109.327 179.717 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.465 ' O ' ' HA ' ' A' ' 6' ' ' ARG . 42.2 t80 -113.35 160.83 17.96 Favored 'General case' 0 C--N 1.301 -1.513 0 C-N-CA 119.343 -0.943 . . . . 0.0 110.453 -179.562 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.473 ' HA ' ' HA ' ' A' ' 6' ' ' ARG . 59.7 mtt180 -97.4 84.87 3.52 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.307 -0.871 . . . . 0.0 110.436 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 41.6 mttm -64.81 -42.56 94.89 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.267 -0.895 . . . . 0.0 109.95 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.49 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 0.1 OUTLIER 62.98 141.64 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.31 -0.869 . . . . 0.0 110.314 179.762 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.419 ' O ' ' O ' ' A' ' 18' ' ' CYS . 14.6 mmt180 -47.0 -94.2 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.253 -0.905 . . . . 0.0 110.211 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.356 0 O-C-N 119.881 -1.762 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 12.6 ptm180 . . . . . 0 N--CA 1.492 1.636 0 CA-C-O 121.265 0.555 . . . . 0.0 110.219 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.457 ' O ' ' C ' ' A' ' 3' ' ' TRP . 3.1 ttt180 -140.15 -70.8 0.39 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.168 -0.957 . . . . 0.0 110.285 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.457 ' C ' ' O ' ' A' ' 2' ' ' ARG . 0.0 OUTLIER 37.39 48.08 0.8 Allowed 'General case' 0 N--CA 1.499 1.996 0 CA-C-O 121.675 0.75 . . . . 0.0 110.349 -179.947 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.476 ' HA ' ' HA ' ' A' ' 18' ' ' CYS . 60.5 m -71.48 -173.65 0.95 Allowed 'General case' 0 C--N 1.296 -1.723 0 O-C-N 121.743 -0.598 . . . . 0.0 110.27 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.47 ' O ' ' CG2' ' A' ' 7' ' ' VAL . 0.1 OUTLIER -173.79 76.54 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.226 -0.921 . . . . 0.0 109.616 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.2 ttp180 -48.38 114.86 1.04 Allowed 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.458 -0.776 . . . . 0.0 110.342 -179.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.472 ' O ' ' HA ' ' A' ' 14' ' ' CYS . 3.1 t -110.02 171.24 2.87 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.313 -0.867 . . . . 0.0 110.027 179.819 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.551 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 38.7 m -153.07 134.89 14.61 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.503 -0.748 . . . . 0.0 110.423 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.459 ' HB2' ' HB3' ' A' ' 13' ' ' PHE . 1.9 t80 -86.29 43.46 1.06 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.159 -0.963 . . . . 0.0 109.907 179.682 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.41 ' C ' ' O ' ' A' ' 9' ' ' TYR . 9.2 ttt180 42.7 85.53 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.449 -0.782 . . . . 0.0 110.417 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.436 ' O ' ' CB ' ' A' ' 12' ' ' ARG . . . 148.97 -46.7 0.66 Allowed Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.774 -1.33 . . . . 0.0 109.774 179.796 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.518 ' O ' ' N ' ' A' ' 14' ' ' CYS . 0.0 OUTLIER 171.18 -37.61 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.212 -1.169 . . . . 0.0 109.673 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.459 ' HB3' ' HB2' ' A' ' 9' ' ' TYR . 0.2 OUTLIER -53.91 87.61 0.0 OUTLIER 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.597 -0.69 . . . . 0.0 109.649 179.614 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.551 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 80.8 m -114.73 101.22 8.87 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.516 -0.74 . . . . 0.0 109.686 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.52 ' O ' ' CG ' ' A' ' 15' ' ' TYR . 3.1 p90 -107.05 126.52 52.44 Favored 'General case' 0 C--N 1.302 -1.461 0 C-N-CA 119.407 -0.917 . . . . 0.0 110.479 -179.678 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.3 mtt85 -73.73 128.45 35.55 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.241 -0.912 . . . . 0.0 110.148 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.7 ttmt -87.1 37.74 0.78 Allowed 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.212 -0.93 . . . . 0.0 110.231 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.476 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 8.9 m -55.93 130.05 42.15 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.237 -0.914 . . . . 0.0 110.232 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.48 ' CD ' ' C ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -112.73 -9.18 13.73 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.282 -0.886 . . . . 0.0 110.245 -179.939 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.347 0 O-C-N 119.831 -1.793 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 6.8 ptp180 . . . . . 0 N--CA 1.492 1.671 0 CA-C-O 121.185 0.517 . . . . 0.0 110.17 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -112.5 10.97 19.71 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.255 -0.903 . . . . 0.0 110.167 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.466 ' O ' ' O ' ' A' ' 4' ' ' CYS . 4.9 m-90 -69.62 62.36 0.17 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.265 -0.897 . . . . 0.0 110.241 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.466 ' O ' ' O ' ' A' ' 3' ' ' TRP . 0.8 OUTLIER 42.85 -166.75 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.087 0 O-C-N 121.454 -0.779 . . . . 0.0 110.041 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.522 ' O ' ' N ' ' A' ' 7' ' ' VAL . 0.1 OUTLIER -179.7 80.57 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.325 -0.859 . . . . 0.0 109.625 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.479 ' HA ' ' HA ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -50.69 88.69 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.454 -0.779 . . . . 0.0 110.383 -179.563 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.522 ' N ' ' O ' ' A' ' 5' ' ' PHE . 12.5 m -67.07 128.67 30.7 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.392 0 O-C-N 121.149 -0.969 . . . . 0.0 109.986 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.639 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 14.4 m -116.84 147.29 42.27 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.535 -0.728 . . . . 0.0 110.541 -179.582 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.459 ' HB2' ' O ' ' A' ' 13' ' ' PHE . 0.4 OUTLIER -95.43 43.22 1.09 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.253 -0.904 . . . . 0.0 109.967 179.688 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.415 ' C ' ' O ' ' A' ' 9' ' ' TYR . 18.4 mtm180 42.42 90.35 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.41 -0.807 . . . . 0.0 110.22 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.459 ' O ' ' CB ' ' A' ' 12' ' ' ARG . . . 144.06 -49.99 0.68 Allowed Glycine 0 N--CA 1.491 2.3 0 N-CA-C 109.576 -1.41 . . . . 0.0 109.576 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.467 ' O ' ' N ' ' A' ' 14' ' ' CYS . 0.0 OUTLIER 169.91 -36.95 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.228 -1.16 . . . . 0.0 109.742 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.459 ' O ' ' HB2' ' A' ' 9' ' ' TYR . 0.7 OUTLIER -60.2 83.2 0.01 OUTLIER 'General case' 0 C--N 1.298 -1.646 0 O-C-N 121.62 -0.675 . . . . 0.0 109.823 179.695 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.639 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 52.7 t -130.89 137.8 49.51 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.403 -0.811 . . . . 0.0 109.613 -179.837 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 47.5 t80 -135.15 162.58 32.12 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.14 -0.975 . . . . 0.0 110.466 -179.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.479 ' HA ' ' HA ' ' A' ' 6' ' ' ARG . 4.3 mtm180 -90.3 82.04 6.01 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.283 -0.885 . . . . 0.0 110.242 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.452 ' O ' ' HB2' ' A' ' 18' ' ' CYS . 13.5 mtpt -76.36 -40.24 51.69 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.209 -0.932 . . . . 0.0 110.219 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.452 ' HB2' ' O ' ' A' ' 17' ' ' LYS . 34.5 m 59.15 176.91 0.08 Allowed 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.19 -0.944 . . . . 0.0 110.16 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.9 39.97 1.25 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.238 -0.914 . . . . 0.0 110.294 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.316 0 O-C-N 119.84 -1.788 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 20.5 mmt180 . . . . . 0 N--CA 1.492 1.637 0 CA-C-O 121.236 0.541 . . . . 0.0 110.13 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 32.2 mtp180 -134.71 109.67 8.75 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.225 -0.922 . . . . 0.0 110.362 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 5.0 m0 -109.13 57.77 0.61 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.336 -0.852 . . . . 0.0 110.072 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.459 ' HA ' ' HA ' ' A' ' 18' ' ' CYS . 79.4 m -46.38 169.65 0.01 OUTLIER 'General case' 0 C--N 1.299 -1.616 0 O-C-N 121.552 -0.718 . . . . 0.0 110.217 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.523 ' O ' ' N ' ' A' ' 7' ' ' VAL . 0.1 OUTLIER 176.12 79.63 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.315 -0.866 . . . . 0.0 109.557 -179.899 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.481 ' HA ' ' HA ' ' A' ' 16' ' ' ARG . 2.9 ttt-85 -43.75 93.19 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.426 -0.796 . . . . 0.0 110.476 -179.504 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.523 ' N ' ' O ' ' A' ' 5' ' ' PHE . 16.0 m -72.2 129.52 35.58 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.399 0 O-C-N 121.266 -0.896 . . . . 0.0 109.933 179.758 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.602 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 34.4 m -112.07 146.88 37.16 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.463 -0.773 . . . . 0.0 110.607 -179.74 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.473 ' N ' ' O ' ' A' ' 13' ' ' PHE . 2.3 t80 -93.95 41.07 1.08 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.3 -0.875 . . . . 0.0 109.887 179.762 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.9 ttm-85 44.45 91.32 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.416 -0.803 . . . . 0.0 110.215 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.447 ' O ' ' HB2' ' A' ' 12' ' ' ARG . . . 140.17 -50.81 0.75 Allowed Glycine 0 N--CA 1.49 2.266 0 N-CA-C 109.577 -1.409 . . . . 0.0 109.577 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.484 ' O ' ' N ' ' A' ' 14' ' ' CYS . 0.3 OUTLIER 173.59 -38.52 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.286 -1.126 . . . . 0.0 109.846 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.473 ' O ' ' N ' ' A' ' 9' ' ' TYR . 4.6 m-85 -58.43 83.61 0.01 OUTLIER 'General case' 0 C--N 1.299 -1.619 0 O-C-N 121.632 -0.667 . . . . 0.0 110.075 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.602 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 47.6 t -130.29 140.08 50.69 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.373 -0.83 . . . . 0.0 109.38 179.8 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.412 ' O ' ' HA ' ' A' ' 6' ' ' ARG . 43.1 t80 -138.96 162.7 34.24 Favored 'General case' 0 C--N 1.301 -1.52 0 C-N-CA 119.245 -0.982 . . . . 0.0 110.646 -179.592 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.481 ' HA ' ' HA ' ' A' ' 6' ' ' ARG . 2.7 ptt180 -98.42 128.05 44.63 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.33 -0.856 . . . . 0.0 110.091 179.816 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -123.45 65.91 1.01 Allowed 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.266 -0.896 . . . . 0.0 110.371 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.459 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 22.8 m -57.15 120.71 8.53 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.198 -0.939 . . . . 0.0 110.235 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.438 ' CB ' ' O ' ' A' ' 18' ' ' CYS . 0.0 OUTLIER 65.23 101.9 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.233 -0.917 . . . . 0.0 110.207 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.346 0 O-C-N 119.912 -1.743 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.607 0 CA-C-O 121.223 0.535 . . . . 0.0 110.161 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.91 117.3 6.79 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.276 -0.89 . . . . 0.0 110.219 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 2.3 m95 -84.08 55.58 3.37 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.252 -0.905 . . . . 0.0 110.112 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.53 ' HA ' ' CB ' ' A' ' 18' ' ' CYS . 49.0 t -72.03 156.22 39.46 Favored 'General case' 0 C--N 1.299 -1.624 0 O-C-N 121.535 -0.728 . . . . 0.0 110.203 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.473 ' CD2' ' O ' ' A' ' 4' ' ' CYS . 0.2 OUTLIER 173.52 80.44 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.132 -0.98 . . . . 0.0 109.767 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.512 ' HA ' ' HA ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -43.35 97.63 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.422 -0.799 . . . . 0.0 110.396 -179.563 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.485 ' O ' ' HA ' ' A' ' 14' ' ' CYS . 25.7 m -82.83 129.0 38.18 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.389 0 O-C-N 121.338 -0.851 . . . . 0.0 110.16 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.633 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 18.2 m -110.89 154.53 23.92 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.469 -0.769 . . . . 0.0 110.502 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.475 ' HB2' ' O ' ' A' ' 13' ' ' PHE . 0.2 OUTLIER -103.64 43.86 1.06 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.257 -0.902 . . . . 0.0 109.881 179.633 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' A' ' 9' ' ' TYR . 0.4 OUTLIER 42.35 88.2 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.449 -0.782 . . . . 0.0 110.368 -179.92 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.505 ' O ' ' CB ' ' A' ' 12' ' ' ARG . . . 144.97 -48.7 0.7 Allowed Glycine 0 N--CA 1.489 2.224 0 N-CA-C 109.612 -1.395 . . . . 0.0 109.612 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.505 ' CB ' ' O ' ' A' ' 11' ' ' GLY . 0.0 OUTLIER 168.74 -36.23 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.237 -1.155 . . . . 0.0 109.776 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.475 ' O ' ' HB2' ' A' ' 9' ' ' TYR . 34.3 m-85 -59.43 81.14 0.01 OUTLIER 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.636 -0.665 . . . . 0.0 110.117 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.633 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 42.5 t -129.7 138.36 51.11 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.234 -0.916 . . . . 0.0 109.275 179.635 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.464 ' CD1' ' N ' ' A' ' 16' ' ' ARG . 47.4 t80 -137.23 158.8 43.62 Favored 'General case' 0 C--N 1.3 -1.554 0 C-N-CA 119.219 -0.992 . . . . 0.0 110.72 -179.346 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.512 ' HA ' ' HA ' ' A' ' 6' ' ' ARG . 2.6 ptt180 -96.89 69.92 2.43 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.319 -0.863 . . . . 0.0 109.872 179.616 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -72.43 55.5 0.34 Allowed 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.366 -0.834 . . . . 0.0 110.094 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.53 ' CB ' ' HA ' ' A' ' 4' ' ' CYS . 15.9 m -80.87 160.48 24.74 Favored 'General case' 0 C--N 1.305 -1.335 0 O-C-N 121.258 -0.901 . . . . 0.0 110.399 -179.74 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 18' ' ' CYS . 1.3 mmm180 43.93 87.18 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.336 -0.852 . . . . 0.0 110.238 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.33 0 O-C-N 119.843 -1.786 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 39.0 mtp180 . . . . . 0 N--CA 1.491 1.581 0 CA-C-O 121.358 0.599 . . . . 0.0 110.137 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 52.0 mtp180 -122.61 16.83 10.38 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.381 -0.824 . . . . 0.0 110.162 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 11.8 m0 -76.2 73.99 3.02 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.251 -0.906 . . . . 0.0 110.293 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 5.5 t -80.11 177.92 8.61 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.415 -0.803 . . . . 0.0 110.074 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -178.88 77.51 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.241 -0.912 . . . . 0.0 109.678 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.414 ' HA ' ' HA ' ' A' ' 16' ' ' ARG . 0.3 OUTLIER -58.93 92.13 0.02 OUTLIER 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.458 -0.777 . . . . 0.0 110.258 -179.655 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.4 ' O ' HG21 ' A' ' 7' ' ' VAL . 14.2 m -103.35 130.3 53.86 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.346 0 O-C-N 121.284 -0.885 . . . . 0.0 109.99 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.561 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 6.1 t -110.55 156.88 20.3 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 121.167 -0.958 . . . . 0.0 110.966 -179.808 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -86.72 42.07 0.99 Allowed 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.541 -0.724 . . . . 0.0 109.53 179.117 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.7 ttt85 43.13 84.24 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.529 -0.732 . . . . 0.0 110.559 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.474 ' O ' ' CB ' ' A' ' 12' ' ' ARG . . . 161.48 -48.95 0.36 Allowed Glycine 0 N--CA 1.491 2.347 0 N-CA-C 109.871 -1.292 . . . . 0.0 109.871 179.649 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.474 ' CB ' ' O ' ' A' ' 11' ' ' GLY . 2.4 mtt180 169.59 -37.49 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.202 -1.175 . . . . 0.0 109.626 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.425 ' C ' ' SG ' ' A' ' 8' ' ' CYS . 2.3 m-85 -63.02 83.55 0.02 OUTLIER 'General case' 0 C--N 1.298 -1.642 0 O-C-N 121.588 -0.695 . . . . 0.0 109.254 179.364 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.561 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 10.3 m -108.46 111.75 23.8 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.446 -0.784 . . . . 0.0 109.161 -179.704 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.42 ' CZ ' ' O ' ' A' ' 16' ' ' ARG . 27.5 t80 -107.96 154.04 22.2 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 120.907 -1.12 . . . . 0.0 110.13 -179.569 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.42 ' O ' ' CZ ' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -105.23 131.35 52.81 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.204 -0.935 . . . . 0.0 110.147 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.15 23.04 4.58 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.21 -0.931 . . . . 0.0 110.257 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.5 m -45.56 112.12 0.42 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.255 -0.903 . . . . 0.0 110.195 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.45 147.77 52.82 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.267 -0.896 . . . . 0.0 110.253 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.363 0 O-C-N 119.811 -1.806 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.457 ' O ' ' CB ' ' A' ' 2' ' ' ARG . 7.3 ptm180 . . . . . 0 N--CA 1.492 1.635 0 CA-C-O 121.194 0.521 . . . . 0.0 110.179 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.457 ' CB ' ' O ' ' A' ' 1' ' ' ARG . 1.7 ttm180 66.27 -69.09 0.12 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.297 -0.877 . . . . 0.0 110.351 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.456 ' N ' ' O ' ' A' ' 1' ' ' ARG . 0.6 OUTLIER 39.21 47.06 1.34 Allowed 'General case' 0 N--CA 1.498 1.941 0 CA-C-O 121.824 0.821 . . . . 0.0 110.09 -179.799 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.456 ' HA ' ' HA ' ' A' ' 18' ' ' CYS . 57.7 m -52.55 -173.14 0.0 OUTLIER 'General case' 0 C--N 1.297 -1.703 0 O-C-N 121.79 -0.569 . . . . 0.0 110.321 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.525 ' HB2' ' CG ' ' A' ' 17' ' ' LYS . 0.2 OUTLIER 179.04 78.6 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.296 -0.877 . . . . 0.0 109.586 179.948 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.508 ' CG ' ' O ' ' A' ' 6' ' ' ARG . 0.0 OUTLIER -41.73 94.56 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.5 -0.75 . . . . 0.0 110.497 -179.552 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.498 ' N ' ' O ' ' A' ' 5' ' ' PHE . 2.7 t -77.13 170.26 1.55 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 O-C-N 121.264 -0.897 . . . . 0.0 109.945 179.76 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.563 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 34.8 m -154.28 134.76 13.44 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.393 -0.817 . . . . 0.0 110.519 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.414 ' O ' ' C ' ' A' ' 10' ' ' ARG . 1.6 t80 -86.66 42.95 1.04 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.151 -0.968 . . . . 0.0 109.889 179.527 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.455 ' HG2' ' O ' ' A' ' 10' ' ' ARG . 14.1 ttp180 42.27 83.21 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.446 -0.784 . . . . 0.0 110.469 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.465 ' O ' ' CB ' ' A' ' 12' ' ' ARG . . . 151.82 -45.94 0.61 Allowed Glycine 0 N--CA 1.491 2.317 0 N-CA-C 109.751 -1.34 . . . . 0.0 109.751 179.716 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.516 ' O ' ' N ' ' A' ' 14' ' ' CYS . 0.0 OUTLIER 171.1 -38.05 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.222 -1.163 . . . . 0.0 109.555 -179.864 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.41 ' HB3' ' HB2' ' A' ' 9' ' ' TYR . 0.4 OUTLIER -54.3 87.77 0.01 OUTLIER 'General case' 0 C--N 1.299 -1.609 0 CA-C-O 121.48 0.657 . . . . 0.0 109.627 179.523 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.563 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 69.5 m -115.26 102.36 9.8 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 121.531 -0.731 . . . . 0.0 109.689 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.571 ' CG ' ' O ' ' A' ' 15' ' ' TYR . 2.4 p90 -109.0 121.85 46.02 Favored 'General case' 0 C--N 1.301 -1.505 0 C-N-CA 119.39 -0.924 . . . . 0.0 110.33 -179.708 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.404 ' HA ' ' HA ' ' A' ' 6' ' ' ARG . 1.0 OUTLIER -58.61 125.24 22.57 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.21 -0.931 . . . . 0.0 110.21 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.525 ' CG ' ' HB2' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -88.6 27.45 1.29 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.273 -0.892 . . . . 0.0 110.236 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.456 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 19.5 m -43.35 97.49 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.261 -0.899 . . . . 0.0 110.195 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 17' ' ' LYS . 4.3 mmm180 42.11 77.23 0.06 Allowed 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.35 -0.844 . . . . 0.0 110.271 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.367 0 O-C-N 119.9 -1.75 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.497 ' HG3' ' N ' ' A' ' 2' ' ' ARG . 22.8 tpt180 . . . . . 0 N--CA 1.492 1.63 0 CA-C-O 121.289 0.566 . . . . 0.0 110.22 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.497 ' N ' ' HG3' ' A' ' 1' ' ' ARG . 4.6 mtt180 -66.33 111.66 3.62 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.194 -0.941 . . . . 0.0 110.178 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -118.68 56.85 0.88 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.228 -0.92 . . . . 0.0 110.199 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.424 ' HA ' ' HA ' ' A' ' 18' ' ' CYS . 1.5 t -76.61 156.79 32.44 Favored 'General case' 0 C--N 1.298 -1.637 0 O-C-N 121.53 -0.731 . . . . 0.0 110.064 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.635 ' CD2' ' CG2' ' A' ' 7' ' ' VAL . 6.1 p90 -174.73 78.37 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.186 -0.946 . . . . 0.0 109.558 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.485 ' HA ' ' HA ' ' A' ' 16' ' ' ARG . 3.8 ttt180 -52.01 97.65 0.02 OUTLIER 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.569 -0.707 . . . . 0.0 110.658 -179.339 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.635 ' CG2' ' CD2' ' A' ' 5' ' ' PHE . 2.5 t -87.76 164.91 2.2 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 121.278 -0.889 . . . . 0.0 109.718 179.517 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.615 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 5.4 t -151.63 154.42 36.36 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.235 -0.916 . . . . 0.0 111.098 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.4 ' O ' ' C ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -86.15 42.69 1.0 Allowed 'General case' 0 N--CA 1.49 1.558 0 CA-C-O 121.536 0.684 . . . . 0.0 109.396 179.033 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.519 ' N ' ' HD3' ' A' ' 10' ' ' ARG . 2.6 mpp_? 42.28 84.08 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.497 -0.752 . . . . 0.0 110.24 -179.71 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.47 ' O ' ' CB ' ' A' ' 12' ' ' ARG . . . 163.52 -49.31 0.31 Allowed Glycine 0 N--CA 1.491 2.343 0 N-CA-C 109.917 -1.273 . . . . 0.0 109.917 179.794 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.47 ' CB ' ' O ' ' A' ' 11' ' ' GLY . 0.2 OUTLIER 169.69 -37.77 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.271 -1.135 . . . . 0.0 109.626 -179.862 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.421 ' C ' ' SG ' ' A' ' 8' ' ' CYS . 10.4 m-85 -64.66 85.9 0.05 OUTLIER 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.593 -0.692 . . . . 0.0 109.239 179.351 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.615 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 7.8 m -109.83 136.53 49.0 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.427 -0.796 . . . . 0.0 108.871 -179.745 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.465 ' O ' ' HA ' ' A' ' 6' ' ' ARG . 18.7 t80 -119.32 147.28 44.49 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 120.831 -1.168 . . . . 0.0 110.53 -179.72 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.485 ' HA ' ' HA ' ' A' ' 6' ' ' ARG . 7.5 mtm180 -109.99 98.47 7.76 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.33 -0.856 . . . . 0.0 110.133 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.534 ' HB2' ' CZ ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -86.13 48.6 1.64 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.286 -0.884 . . . . 0.0 110.192 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.424 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 0.0 OUTLIER -48.38 141.16 6.92 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.306 -0.871 . . . . 0.0 110.186 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.462 ' HG3' ' NH2' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -121.51 173.86 7.13 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.279 -0.888 . . . . 0.0 110.214 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.339 0 O-C-N 119.83 -1.794 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.603 0 CA-C-O 121.284 0.564 . . . . 0.0 110.217 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -140.26 21.96 2.4 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.185 -0.947 . . . . 0.0 110.21 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.44 ' O ' ' O ' ' A' ' 4' ' ' CYS . 7.8 m0 -95.32 73.82 3.32 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.225 -0.922 . . . . 0.0 110.184 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.442 ' HA ' ' HA ' ' A' ' 18' ' ' CYS . 2.3 t -53.33 -171.74 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.313 -0.867 . . . . 0.0 110.118 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.528 ' O ' ' CG2' ' A' ' 7' ' ' VAL . 0.1 OUTLIER -178.09 81.37 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.179 -0.951 . . . . 0.0 109.488 179.902 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 15.9 ttm-85 -55.41 107.98 0.38 Allowed 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.345 -0.847 . . . . 0.0 110.373 -179.46 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.528 ' CG2' ' O ' ' A' ' 5' ' ' PHE . 4.5 t -124.16 167.93 17.42 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.229 -0.92 . . . . 0.0 109.987 179.689 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.585 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 14.6 t -153.43 157.85 40.53 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.375 -0.828 . . . . 0.0 110.884 179.716 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.427 ' O ' ' C ' ' A' ' 10' ' ' ARG . 5.5 t80 -86.87 42.12 1.0 Allowed 'General case' 0 C--N 1.3 -1.554 0 C-N-CA 120.029 -0.669 . . . . 0.0 109.415 179.014 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.427 ' C ' ' O ' ' A' ' 9' ' ' TYR . 10.4 ttm180 40.43 81.4 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.641 -0.662 . . . . 0.0 110.458 -179.685 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.41 ' O ' ' CB ' ' A' ' 12' ' ' ARG . . . 160.99 -47.36 0.38 Allowed Glycine 0 N--CA 1.491 2.365 0 C-N-CA 119.537 -1.316 . . . . 0.0 110.108 179.77 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.512 ' O ' ' N ' ' A' ' 14' ' ' CYS . 0.9 OUTLIER 175.18 -39.8 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.143 -1.21 . . . . 0.0 109.71 -179.827 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.427 ' C ' ' SG ' ' A' ' 8' ' ' CYS . 10.9 m-30 -61.36 79.85 0.01 OUTLIER 'General case' 0 C--N 1.298 -1.646 0 C-N-CA 119.897 -0.721 . . . . 0.0 109.382 179.448 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.585 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 6.9 m -110.15 99.41 8.48 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.346 -0.846 . . . . 0.0 109.123 -179.726 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -111.33 135.6 51.64 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.083 -1.011 . . . . 0.0 110.493 -179.377 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.8 mtt180 -72.56 135.24 45.53 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.256 -0.903 . . . . 0.0 110.09 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -87.48 34.17 0.7 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.249 -0.907 . . . . 0.0 110.278 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.442 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 1.1 m -55.21 124.86 18.34 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.242 -0.911 . . . . 0.0 110.163 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -171.18 173.74 4.85 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.215 -0.928 . . . . 0.0 110.234 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.339 0 O-C-N 119.84 -1.787 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 10.9 ptm180 . . . . . 0 N--CA 1.492 1.633 0 CA-C-O 121.231 0.539 . . . . 0.0 110.198 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 16.0 mtt180 -144.63 19.22 1.67 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.218 -0.926 . . . . 0.0 110.242 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 1.7 m95 -76.51 58.96 1.41 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.253 -0.904 . . . . 0.0 110.121 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.451 ' O ' ' HB2' ' A' ' 5' ' ' PHE . 75.7 m -58.43 -169.92 0.01 OUTLIER 'General case' 0 C--N 1.299 -1.627 0 O-C-N 121.552 -0.717 . . . . 0.0 110.403 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.52 ' O ' ' N ' ' A' ' 7' ' ' VAL . 0.9 OUTLIER 176.91 79.75 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.35 -0.844 . . . . 0.0 109.511 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.453 ' HA ' ' HA ' ' A' ' 16' ' ' ARG . 7.9 ttt180 -47.43 90.73 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.526 -0.734 . . . . 0.0 110.507 -179.408 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.52 ' N ' ' O ' ' A' ' 5' ' ' PHE . 3.0 t -70.34 172.42 0.91 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.688 0 O-C-N 121.287 -0.883 . . . . 0.0 109.971 179.695 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.563 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 39.9 m -149.11 140.56 23.32 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.529 -0.732 . . . . 0.0 110.469 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -91.15 43.3 1.14 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.175 -0.953 . . . . 0.0 109.823 179.572 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.46 ' O ' ' HD2' ' A' ' 10' ' ' ARG . 0.5 OUTLIER 46.87 90.76 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.447 -0.783 . . . . 0.0 110.463 179.945 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.475 ' O ' ' HB2' ' A' ' 12' ' ' ARG . . . 142.23 -50.52 0.71 Allowed Glycine 0 N--CA 1.491 2.308 0 N-CA-C 109.703 -1.359 . . . . 0.0 109.703 179.818 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.533 ' O ' ' N ' ' A' ' 14' ' ' CYS . 0.2 OUTLIER 173.28 -38.7 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.402 -1.058 . . . . 0.0 109.55 179.941 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -50.2 89.32 0.0 OUTLIER 'General case' 0 C--N 1.299 -1.61 0 CA-C-O 121.491 0.663 . . . . 0.0 109.676 179.577 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.563 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 95.7 m -117.64 119.47 35.09 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.529 -0.732 . . . . 0.0 109.618 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -115.14 130.37 56.91 Favored 'General case' 0 C--N 1.301 -1.508 0 C-N-CA 119.075 -1.05 . . . . 0.0 110.464 -179.829 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.453 ' HA ' ' HA ' ' A' ' 6' ' ' ARG . 3.1 ptt180 -79.41 94.13 5.49 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.283 -0.885 . . . . 0.0 110.121 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.431 ' HG3' HG23 ' A' ' 7' ' ' VAL . 3.9 mtmt -81.0 62.21 4.89 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.262 -0.899 . . . . 0.0 110.229 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.407 ' O ' ' C ' ' A' ' 19' ' ' ARG . 1.3 m -57.56 134.08 55.82 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.211 -0.931 . . . . 0.0 110.268 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 18' ' ' CYS . 0.0 OUTLIER 42.98 79.67 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.284 -0.885 . . . . 0.0 110.198 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.341 0 O-C-N 119.865 -1.772 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 5.3 tpt180 . . . . . 0 N--CA 1.491 1.617 0 CA-C-O 121.285 0.564 . . . . 0.0 110.176 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 74.7 mtt-85 -106.66 113.57 27.15 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.215 -0.928 . . . . 0.0 110.237 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 2.0 m0 -81.46 56.24 2.87 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.233 -0.917 . . . . 0.0 110.114 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.472 ' HA ' ' HA ' ' A' ' 18' ' ' CYS . 62.4 m -51.89 175.49 0.02 OUTLIER 'General case' 0 C--N 1.299 -1.63 0 O-C-N 121.61 -0.681 . . . . 0.0 110.16 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.496 ' O ' ' N ' ' A' ' 7' ' ' VAL . 0.1 OUTLIER 177.69 78.73 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.271 -0.893 . . . . 0.0 109.742 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.476 ' HA ' ' HA ' ' A' ' 16' ' ' ARG . 14.8 ttp180 -51.29 89.37 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.408 -0.808 . . . . 0.0 110.351 -179.627 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.499 ' O ' ' HA ' ' A' ' 14' ' ' CYS . 16.5 m -72.98 128.82 36.04 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.438 0 O-C-N 121.166 -0.959 . . . . 0.0 110.063 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.621 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 13.5 m -118.57 146.33 44.68 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.476 -0.765 . . . . 0.0 110.375 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.432 ' O ' ' C ' ' A' ' 10' ' ' ARG . 0.3 OUTLIER -95.38 43.21 1.09 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.28 -0.888 . . . . 0.0 109.997 179.912 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.432 ' C ' ' O ' ' A' ' 9' ' ' TYR . 0.0 OUTLIER 41.22 89.17 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.519 -0.738 . . . . 0.0 110.344 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.489 ' O ' ' CB ' ' A' ' 12' ' ' ARG . . . 146.26 -49.21 0.65 Allowed Glycine 0 N--CA 1.49 2.241 0 N-CA-C 109.575 -1.41 . . . . 0.0 109.575 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.489 ' CB ' ' O ' ' A' ' 11' ' ' GLY . 0.0 OUTLIER 169.36 -36.41 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.284 -1.127 . . . . 0.0 109.822 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -62.59 83.03 0.02 OUTLIER 'General case' 0 C--N 1.299 -1.612 0 O-C-N 121.552 -0.717 . . . . 0.0 109.978 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.621 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 49.3 t -130.58 138.56 50.21 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.348 -0.845 . . . . 0.0 109.573 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 10.5 t80 -132.42 163.92 27.67 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.159 -0.963 . . . . 0.0 110.482 -179.689 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.476 ' HA ' ' HA ' ' A' ' 6' ' ' ARG . 0.0 OUTLIER -99.21 118.13 35.23 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.309 -0.869 . . . . 0.0 110.252 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.41 32.82 1.15 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.253 -0.904 . . . . 0.0 110.182 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.472 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 1.8 m -47.45 129.95 13.43 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.266 -0.896 . . . . 0.0 110.257 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.89 145.55 54.48 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.295 -0.878 . . . . 0.0 110.204 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.337 0 O-C-N 119.862 -1.774 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 11.8 mmt85 . . . . . 0 N--CA 1.492 1.657 0 CA-C-O 121.213 0.53 . . . . 0.0 110.19 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 5.1 ttm105 -135.62 12.53 3.45 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.261 -0.899 . . . . 0.0 110.293 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 4.8 m-90 -70.73 73.95 0.57 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.213 -0.929 . . . . 0.0 110.258 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.464 ' HA ' ' HA ' ' A' ' 18' ' ' CYS . 2.1 t -76.71 -177.46 4.29 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.347 -0.846 . . . . 0.0 110.174 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.519 ' O ' ' CG2' ' A' ' 7' ' ' VAL . 0.3 OUTLIER -179.97 78.57 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.283 -0.886 . . . . 0.0 109.666 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.455 ' HA ' ' HA ' ' A' ' 16' ' ' ARG . 22.6 ttt180 -55.85 111.42 0.92 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.406 -0.809 . . . . 0.0 110.404 -179.487 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.519 ' CG2' ' O ' ' A' ' 5' ' ' PHE . 2.5 t -117.96 162.37 16.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 121.266 -0.896 . . . . 0.0 109.898 179.706 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.566 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 81.9 m -118.83 140.69 49.55 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.454 -0.779 . . . . 0.0 110.65 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -84.49 36.25 0.58 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.246 -0.909 . . . . 0.0 110.336 179.297 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 20.4 mtp180 45.32 95.85 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.45 -0.781 . . . . 0.0 111.27 179.445 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.549 ' O ' ' CB ' ' A' ' 12' ' ' ARG . . . 150.78 -57.24 0.45 Allowed Glycine 0 N--CA 1.49 2.268 0 N-CA-C 109.781 -1.328 . . . . 0.0 109.781 179.285 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.549 ' CB ' ' O ' ' A' ' 11' ' ' GLY . 0.1 OUTLIER 163.31 47.41 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.619 -0.93 . . . . 0.0 109.536 -179.799 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -152.58 95.38 2.01 Favored 'General case' 0 C--N 1.297 -1.69 0 O-C-N 121.573 -0.704 . . . . 0.0 109.915 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.566 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 84.9 m -106.51 109.11 20.94 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.31 -0.869 . . . . 0.0 108.91 179.488 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -106.75 144.49 33.33 Favored 'General case' 0 C--N 1.302 -1.498 0 C-N-CA 118.939 -1.104 . . . . 0.0 110.353 -179.34 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.455 ' HA ' ' HA ' ' A' ' 6' ' ' ARG . 11.8 mtm180 -85.63 118.43 25.13 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.246 -0.909 . . . . 0.0 110.272 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.45 ' O ' ' O ' ' A' ' 18' ' ' CYS . 6.1 mmtt -62.42 -68.45 0.33 Allowed 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.247 -0.908 . . . . 0.0 110.151 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.464 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 1.3 m 54.8 108.12 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.307 -0.87 . . . . 0.0 110.219 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -49.35 -54.03 19.24 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.277 -0.889 . . . . 0.0 110.252 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.359 0 O-C-N 119.905 -1.747 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.451 ' O ' ' HB2' ' A' ' 2' ' ' ARG . 4.1 ptm180 . . . . . 0 N--CA 1.492 1.628 0 CA-C-O 121.255 0.55 . . . . 0.0 110.237 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.451 ' HB2' ' O ' ' A' ' 1' ' ' ARG . 0.1 OUTLIER 56.25 16.88 2.53 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.248 -0.907 . . . . 0.0 110.278 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 43.8 m0 -78.28 74.25 4.82 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.225 -0.922 . . . . 0.0 110.175 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.467 ' O ' ' HB2' ' A' ' 5' ' ' PHE . 2.2 t -64.65 -177.83 0.35 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.417 -0.802 . . . . 0.0 110.222 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.469 ' O ' ' N ' ' A' ' 7' ' ' VAL . 2.8 t80 -178.94 76.5 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.301 -0.875 . . . . 0.0 109.782 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.513 ' CG ' ' O ' ' A' ' 6' ' ' ARG . 0.1 OUTLIER -44.38 96.33 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.417 -0.802 . . . . 0.0 110.249 -179.674 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.602 ' CG2' ' CE2' ' A' ' 15' ' ' TYR . 24.7 m -90.99 130.64 39.85 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.336 0 O-C-N 121.284 -0.885 . . . . 0.0 110.124 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.535 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 74.1 m -92.18 136.99 32.74 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.184 -0.948 . . . . 0.0 110.692 -179.742 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 9.8 t80 -82.65 39.47 0.62 Allowed 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.26 -0.9 . . . . 0.0 110.338 179.292 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.1 mtt180 40.73 93.6 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.436 -0.79 . . . . 0.0 111.318 179.527 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.554 ' O ' ' CB ' ' A' ' 12' ' ' ARG . . . 153.48 -56.46 0.43 Allowed Glycine 0 N--CA 1.491 2.322 0 N-CA-C 109.879 -1.288 . . . . 0.0 109.879 179.19 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.554 ' CB ' ' O ' ' A' ' 11' ' ' GLY . 0.0 OUTLIER 162.43 48.5 0.0 OUTLIER 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.697 -0.884 . . . . 0.0 109.336 -179.67 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.538 ' CD2' ' O ' ' A' ' 12' ' ' ARG . 34.4 m-85 -153.36 95.31 1.91 Allowed 'General case' 0 C--N 1.296 -1.733 0 O-C-N 121.661 -0.65 . . . . 0.0 109.867 -179.835 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.535 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 81.3 m -107.58 102.19 11.46 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.275 -0.891 . . . . 0.0 109.42 179.812 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.602 ' CE2' ' CG2' ' A' ' 7' ' ' VAL . 2.3 p90 -101.31 147.41 26.34 Favored 'General case' 0 C--N 1.301 -1.528 0 C-N-CA 119.287 -0.965 . . . . 0.0 110.388 -179.397 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.522 ' CG ' ' O ' ' A' ' 16' ' ' ARG . 17.5 ptt180 -95.0 113.52 25.23 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.197 -0.939 . . . . 0.0 110.091 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.456 ' O ' ' HB2' ' A' ' 18' ' ' CYS . 52.9 tttt -70.93 -50.15 37.8 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.178 -0.951 . . . . 0.0 110.252 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.456 ' HB2' ' O ' ' A' ' 17' ' ' LYS . 4.4 m 56.97 108.2 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.226 -0.921 . . . . 0.0 110.214 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.451 ' O ' ' O ' ' A' ' 18' ' ' CYS . 0.1 OUTLIER 49.49 -179.22 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.24 -0.912 . . . . 0.0 110.208 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.362 0 O-C-N 119.838 -1.789 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 29.1 mmt180 . . . . . 0 N--CA 1.491 1.618 0 CA-C-O 121.189 0.519 . . . . 0.0 110.224 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 25.9 mtt-85 -114.57 111.8 21.92 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.259 -0.901 . . . . 0.0 110.37 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 42.5 m0 -91.22 57.2 3.34 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.251 -0.905 . . . . 0.0 109.922 179.76 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.513 ' CB ' ' HA ' ' A' ' 18' ' ' CYS . 11.0 t -98.22 168.42 10.25 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 121.49 -0.756 . . . . 0.0 110.38 -179.839 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 176.06 77.34 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.337 -0.852 . . . . 0.0 109.534 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 8.3 ttp180 -57.73 94.18 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.458 -0.776 . . . . 0.0 110.365 -179.54 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 4.1 m -113.6 130.85 66.92 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.345 0 O-C-N 121.266 -0.896 . . . . 0.0 109.838 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.571 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 10.1 t -110.62 159.11 17.87 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.082 -1.011 . . . . 0.0 110.985 -179.678 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.43 ' O ' ' C ' ' A' ' 10' ' ' ARG . 4.2 m-85 -86.45 42.31 0.99 Allowed 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.583 -0.698 . . . . 0.0 109.503 179.14 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.43 ' C ' ' O ' ' A' ' 9' ' ' TYR . 6.3 ttp180 40.7 82.0 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.555 -0.716 . . . . 0.0 110.486 -179.759 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.464 ' O ' ' CB ' ' A' ' 12' ' ' ARG . . . 160.6 -47.48 0.39 Allowed Glycine 0 N--CA 1.491 2.342 0 C-N-CA 119.596 -1.288 . . . . 0.0 110.065 179.747 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.464 ' CB ' ' O ' ' A' ' 11' ' ' GLY . 1.8 mtp180 172.09 -37.97 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.136 -1.214 . . . . 0.0 109.842 -179.851 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.424 ' C ' ' SG ' ' A' ' 8' ' ' CYS . 2.8 m-85 -62.12 82.04 0.02 OUTLIER 'General case' 0 C--N 1.298 -1.632 0 O-C-N 121.512 -0.743 . . . . 0.0 109.334 179.43 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.571 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 7.8 m -109.84 106.81 16.55 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.301 -0.874 . . . . 0.0 109.273 -179.704 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 23.6 t80 -110.64 145.33 38.11 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 120.977 -1.077 . . . . 0.0 110.243 -179.547 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.403 ' O ' ' CG ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -101.68 127.68 48.32 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.22 -0.925 . . . . 0.0 110.113 179.918 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.7 tttp -88.16 19.98 3.43 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.264 -0.898 . . . . 0.0 110.205 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.513 ' HA ' ' CB ' ' A' ' 4' ' ' CYS . 0.8 OUTLIER -45.14 120.95 2.62 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.278 -0.889 . . . . 0.0 110.16 179.939 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.452 ' HB2' ' O ' ' A' ' 18' ' ' CYS . 12.2 mtm-85 55.64 23.32 6.04 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.255 -0.903 . . . . 0.0 110.198 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.318 0 O-C-N 119.848 -1.782 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.456 ' NH2' ' HG2' ' A' ' 1' ' ' ARG . 3.2 tpt180 . . . . . 0 N--CA 1.492 1.648 0 CA-C-O 121.225 0.536 . . . . 0.0 110.228 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 20.2 ptt180 -160.29 113.81 2.13 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.251 -0.905 . . . . 0.0 110.337 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 2.9 m0 -116.25 57.04 0.77 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.297 -0.877 . . . . 0.0 109.989 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.439 ' HA ' ' HA ' ' A' ' 18' ' ' CYS . 1.7 t -66.82 -177.34 0.59 Allowed 'General case' 0 C--N 1.298 -1.644 0 O-C-N 121.597 -0.689 . . . . 0.0 110.36 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.516 ' O ' ' N ' ' A' ' 7' ' ' VAL . 0.1 OUTLIER 172.44 80.79 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.317 -0.864 . . . . 0.0 109.604 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.528 ' CG ' ' O ' ' A' ' 6' ' ' ARG . 0.1 OUTLIER -41.09 94.16 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.472 -0.767 . . . . 0.0 110.562 -179.485 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.578 HG22 ' CE2' ' A' ' 15' ' ' TYR . 23.5 m -82.45 129.94 36.61 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.401 0 O-C-N 121.199 -0.938 . . . . 0.0 110.278 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.64 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 17.0 m -112.03 150.72 30.24 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.433 -0.792 . . . . 0.0 110.487 -179.849 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.427 ' HB2' ' O ' ' A' ' 13' ' ' PHE . 2.3 m-85 -99.51 43.86 1.04 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.268 -0.895 . . . . 0.0 109.977 179.748 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 9' ' ' TYR . 12.0 mtt180 41.91 89.76 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.47 -0.769 . . . . 0.0 110.373 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.491 ' O ' ' CB ' ' A' ' 12' ' ' ARG . . . 144.21 -49.77 0.68 Allowed Glycine 0 N--CA 1.49 2.29 0 N-CA-C 109.518 -1.433 . . . . 0.0 109.518 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.491 ' CB ' ' O ' ' A' ' 11' ' ' GLY . 0.0 OUTLIER 169.83 -36.91 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.262 -1.14 . . . . 0.0 109.749 -180.0 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.427 ' O ' ' HB2' ' A' ' 9' ' ' TYR . 3.1 m-85 -59.96 82.63 0.01 OUTLIER 'General case' 0 C--N 1.299 -1.619 0 O-C-N 121.582 -0.699 . . . . 0.0 110.017 179.793 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.64 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 50.2 t -130.96 136.17 48.31 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.376 -0.828 . . . . 0.0 109.28 179.831 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.578 ' CE2' HG22 ' A' ' 7' ' ' VAL . 12.5 p90 -140.99 162.29 35.82 Favored 'General case' 0 C--N 1.3 -1.559 0 C-N-CA 119.124 -1.03 . . . . 0.0 110.62 -179.729 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.471 ' HA ' ' HA ' ' A' ' 6' ' ' ARG . 5.5 ptp180 -77.55 120.25 22.26 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.282 -0.886 . . . . 0.0 110.327 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.16 39.98 1.03 Allowed 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.272 -0.892 . . . . 0.0 110.125 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.439 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 1.7 m -51.78 136.12 28.32 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.272 -0.892 . . . . 0.0 110.265 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.463 ' C ' ' CD ' ' A' ' 19' ' ' ARG . 0.3 OUTLIER -42.33 161.39 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.287 -0.883 . . . . 0.0 110.286 179.94 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.369 0 O-C-N 119.886 -1.759 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 9.4 ptp85 . . . . . 0 N--CA 1.491 1.606 0 CA-C-O 121.302 0.572 . . . . 0.0 110.266 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.451 ' O ' ' CG ' ' A' ' 2' ' ' ARG . 0.0 OUTLIER -78.02 115.99 18.17 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.206 -0.934 . . . . 0.0 110.233 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.463 ' O ' ' O ' ' A' ' 4' ' ' CYS . 4.6 m95 -102.49 56.17 0.78 Allowed 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.249 -0.907 . . . . 0.0 110.095 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.466 ' O ' ' HB2' ' A' ' 5' ' ' PHE . 69.1 m -47.65 176.96 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.57 -0.706 . . . . 0.0 110.137 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.52 ' O ' ' N ' ' A' ' 7' ' ' VAL . 3.0 t80 -179.95 79.37 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.227 -0.921 . . . . 0.0 109.66 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.466 ' HA ' ' HA ' ' A' ' 16' ' ' ARG . 0.1 OUTLIER -50.41 89.87 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.401 -0.812 . . . . 0.0 110.213 -179.645 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.52 ' N ' ' O ' ' A' ' 5' ' ' PHE . 16.8 m -74.05 129.16 36.59 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 O-C-N 121.239 -0.913 . . . . 0.0 110.258 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.609 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 15.0 m -117.55 146.38 43.62 Favored 'General case' 0 C--N 1.305 -1.361 0 O-C-N 121.523 -0.735 . . . . 0.0 110.348 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.422 ' O ' ' C ' ' A' ' 10' ' ' ARG . 0.3 OUTLIER -95.29 43.52 1.09 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.232 -0.917 . . . . 0.0 110.114 179.849 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.422 ' C ' ' O ' ' A' ' 9' ' ' TYR . 27.0 mtt-85 41.92 89.83 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.404 -0.81 . . . . 0.0 110.342 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.483 ' O ' ' CB ' ' A' ' 12' ' ' ARG . . . 144.78 -49.7 0.67 Allowed Glycine 0 N--CA 1.49 2.261 0 N-CA-C 109.615 -1.394 . . . . 0.0 109.615 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.483 ' CB ' ' O ' ' A' ' 11' ' ' GLY . 0.0 OUTLIER 169.8 -36.58 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.211 -1.17 . . . . 0.0 109.79 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 46.6 m-85 -61.31 82.91 0.01 OUTLIER 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.505 -0.747 . . . . 0.0 109.967 179.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.609 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 53.9 t -130.68 140.68 50.38 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.396 -0.815 . . . . 0.0 109.501 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.452 ' O ' ' HA ' ' A' ' 6' ' ' ARG . 11.0 t80 -133.65 166.92 21.48 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.154 -0.966 . . . . 0.0 110.43 -179.731 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.473 ' O ' ' CG ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -108.63 94.97 5.34 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.266 -0.896 . . . . 0.0 110.132 179.895 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 42.8 mttt -79.6 50.03 1.09 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.225 -0.922 . . . . 0.0 110.285 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.441 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 1.3 m -50.97 143.65 9.93 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.249 -0.907 . . . . 0.0 110.173 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 15.6 ttt85 -124.08 2.34 8.61 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.245 -0.909 . . . . 0.0 110.26 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.368 0 O-C-N 119.907 -1.746 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 7.3 t . . . . . 0 N--CA 1.491 1.61 0 CA-C-O 121.179 0.514 . . . . 0.0 110.037 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.588 ' CD2' HG13 ' A' ' 7' ' ' VAL . 19.3 p90 -172.75 77.22 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.139 -0.976 . . . . 0.0 109.629 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.516 ' HA ' ' O ' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -43.63 100.31 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.468 -0.77 . . . . 0.0 110.286 -179.494 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.588 HG13 ' CD2' ' A' ' 5' ' ' PHE . 19.9 m -78.61 130.03 36.73 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.449 0 O-C-N 121.282 -0.886 . . . . 0.0 110.359 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.539 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 0.1 OUTLIER -99.18 143.82 29.01 Favored 'General case' 0 C--N 1.305 -1.344 0 O-C-N 121.275 -0.891 . . . . 0.0 110.428 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.527 ' HB2' ' CB ' ' A' ' 13' ' ' PHE . 0.1 OUTLIER -90.49 41.8 1.07 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.215 -0.928 . . . . 0.0 109.73 179.46 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 48.74 82.51 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.51 -0.744 . . . . 0.0 110.644 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.503 ' O ' ' CG ' ' A' ' 12' ' ' ARG . . . 147.23 -45.81 0.75 Allowed Glycine 0 N--CA 1.491 2.356 0 N-CA-C 109.756 -1.338 . . . . 0.0 109.756 179.668 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.52 ' O ' ' N ' ' A' ' 14' ' ' CYS . 0.0 OUTLIER 170.84 -38.58 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.289 -1.124 . . . . 0.0 109.548 -179.896 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.527 ' CB ' ' HB2' ' A' ' 9' ' ' TYR . 10.0 m-85 -50.53 90.82 0.0 OUTLIER 'General case' 0 C--N 1.299 -1.62 0 CA-C-O 121.546 0.689 . . . . 0.0 109.406 179.468 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.539 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 0.1 OUTLIER -116.97 112.97 21.72 Favored 'General case' 0 C--N 1.298 -1.646 0 O-C-N 121.566 -0.709 . . . . 0.0 109.436 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.516 ' O ' ' HA ' ' A' ' 6' ' ' ARG . 18.2 t80 -111.44 146.18 37.66 Favored 'General case' 0 N--CA 1.489 1.524 0 C-N-CA 119.236 -0.986 . . . . 0.0 110.406 -179.525 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.44 ' O ' ' HG2' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -101.62 120.03 39.69 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.323 -0.861 . . . . 0.0 110.319 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.7 tptp . . . . . 0 N--CA 1.491 1.615 0 O-C-N 121.279 -0.888 . . . . 0.0 110.024 179.816 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.437 ' O ' ' HB2' ' A' ' 5' ' ' PHE . 0.1 OUTLIER . . . . . 0 N--CA 1.501 2.08 0 CA-C-O 121.301 0.572 . . . . 0.0 110.318 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.59 ' O ' HG13 ' A' ' 7' ' ' VAL . 0.2 OUTLIER 174.41 78.32 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.186 -0.946 . . . . 0.0 109.739 -179.826 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.521 ' CG ' ' O ' ' A' ' 6' ' ' ARG . 0.0 OUTLIER -47.66 96.47 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.423 -0.798 . . . . 0.0 110.423 -179.6 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.59 HG13 ' O ' ' A' ' 5' ' ' PHE . 25.6 m -82.65 129.75 36.92 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.367 0 O-C-N 121.146 -0.971 . . . . 0.0 110.154 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.534 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 63.7 m -91.49 142.24 27.87 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.261 -0.899 . . . . 0.0 110.424 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.452 ' HB3' ' HB2' ' A' ' 13' ' ' PHE . 1.1 t80 -88.91 43.18 1.13 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.278 -0.888 . . . . 0.0 110.304 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 10.4 ttt-85 50.55 95.42 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.383 -0.823 . . . . 0.0 110.597 179.612 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.439 ' O ' ' HB2' ' A' ' 12' ' ' ARG . . . 135.1 -50.64 0.85 Allowed Glycine 0 N--CA 1.491 2.327 0 N-CA-C 109.717 -1.353 . . . . 0.0 109.717 179.729 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.534 ' O ' ' N ' ' A' ' 14' ' ' CYS . 0.0 OUTLIER 173.86 -37.64 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.314 -1.109 . . . . 0.0 109.736 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.469 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 9.4 m-85 -48.32 89.12 0.0 OUTLIER 'General case' 0 C--N 1.301 -1.523 0 CA-C-O 121.551 0.691 . . . . 0.0 110.037 179.782 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.534 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 85.2 m -115.63 99.96 7.7 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.524 -0.735 . . . . 0.0 109.327 179.717 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.51 ' O ' ' HA ' ' A' ' 6' ' ' ARG . 42.2 t80 -113.35 160.83 17.96 Favored 'General case' 0 C--N 1.301 -1.513 0 C-N-CA 119.343 -0.943 . . . . 0.0 110.453 -179.562 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.429 ' HA ' ' HA ' ' A' ' 6' ' ' ARG . 59.7 mtt180 -97.4 84.87 3.52 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.307 -0.871 . . . . 0.0 110.436 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.524 ' HD2' HG21 ' A' ' 7' ' ' VAL . 41.6 mttm . . . . . 0 N--CA 1.492 1.631 0 O-C-N 121.267 -0.895 . . . . 0.0 109.95 179.73 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 60.5 m . . . . . 0 N--CA 1.492 1.637 0 CA-C-O 121.263 0.554 . . . . 0.0 110.27 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.648 ' O ' HG23 ' A' ' 7' ' ' VAL . 0.1 OUTLIER -173.79 76.54 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.226 -0.921 . . . . 0.0 109.616 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.2 ttp180 -48.38 114.86 1.04 Allowed 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.458 -0.776 . . . . 0.0 110.342 -179.553 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.648 HG23 ' O ' ' A' ' 5' ' ' PHE . 3.1 t -110.02 171.24 2.87 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.313 -0.867 . . . . 0.0 110.027 179.819 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.512 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 38.7 m -153.07 134.89 14.61 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.503 -0.748 . . . . 0.0 110.423 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.509 ' HB2' ' HB3' ' A' ' 13' ' ' PHE . 1.9 t80 -86.29 43.46 1.06 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.159 -0.963 . . . . 0.0 109.907 179.682 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.41 ' C ' ' O ' ' A' ' 9' ' ' TYR . 9.2 ttt180 42.7 85.53 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.449 -0.782 . . . . 0.0 110.417 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.436 ' O ' ' CB ' ' A' ' 12' ' ' ARG . . . 148.97 -46.7 0.66 Allowed Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.774 -1.33 . . . . 0.0 109.774 179.796 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.518 ' O ' ' N ' ' A' ' 14' ' ' CYS . 0.0 OUTLIER 171.18 -37.61 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.212 -1.169 . . . . 0.0 109.673 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.509 ' HB3' ' HB2' ' A' ' 9' ' ' TYR . 0.2 OUTLIER -53.91 87.61 0.0 OUTLIER 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.597 -0.69 . . . . 0.0 109.649 179.614 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.518 ' N ' ' O ' ' A' ' 12' ' ' ARG . 80.8 m -114.73 101.22 8.87 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.516 -0.74 . . . . 0.0 109.686 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.52 ' O ' ' CG ' ' A' ' 15' ' ' TYR . 3.1 p90 -107.05 126.52 52.44 Favored 'General case' 0 C--N 1.302 -1.461 0 C-N-CA 119.407 -0.917 . . . . 0.0 110.479 -179.678 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.3 mtt85 -73.73 128.45 35.55 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.241 -0.912 . . . . 0.0 110.148 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.7 ttmt . . . . . 0 N--CA 1.492 1.663 0 O-C-N 121.212 -0.93 . . . . 0.0 110.231 -179.944 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.501 2.087 0 CA-C-O 121.301 0.572 . . . . 0.0 110.041 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.522 ' O ' ' N ' ' A' ' 7' ' ' VAL . 0.1 OUTLIER -179.7 80.57 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.325 -0.859 . . . . 0.0 109.625 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.446 ' HA ' ' HA ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -50.69 88.69 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.454 -0.779 . . . . 0.0 110.383 -179.563 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.549 ' O ' ' HA ' ' A' ' 14' ' ' CYS . 12.5 m -67.07 128.67 30.7 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.392 0 O-C-N 121.149 -0.969 . . . . 0.0 109.986 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.602 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 14.4 m -116.84 147.29 42.27 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.535 -0.728 . . . . 0.0 110.541 -179.582 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.459 ' HB2' ' O ' ' A' ' 13' ' ' PHE . 0.4 OUTLIER -95.43 43.22 1.09 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.253 -0.904 . . . . 0.0 109.967 179.688 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.415 ' C ' ' O ' ' A' ' 9' ' ' TYR . 18.4 mtm180 42.42 90.35 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.41 -0.807 . . . . 0.0 110.22 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.459 ' O ' ' CB ' ' A' ' 12' ' ' ARG . . . 144.06 -49.99 0.68 Allowed Glycine 0 N--CA 1.491 2.3 0 N-CA-C 109.576 -1.41 . . . . 0.0 109.576 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.467 ' O ' ' N ' ' A' ' 14' ' ' CYS . 0.0 OUTLIER 169.91 -36.95 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.228 -1.16 . . . . 0.0 109.742 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.459 ' O ' ' HB2' ' A' ' 9' ' ' TYR . 0.7 OUTLIER -60.2 83.2 0.01 OUTLIER 'General case' 0 C--N 1.298 -1.646 0 O-C-N 121.62 -0.675 . . . . 0.0 109.823 179.695 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.602 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 52.7 t -130.89 137.8 49.51 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.403 -0.811 . . . . 0.0 109.613 -179.837 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 47.5 t80 -135.15 162.58 32.12 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.14 -0.975 . . . . 0.0 110.466 -179.682 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.446 ' HA ' ' HA ' ' A' ' 6' ' ' ARG . 4.3 mtm180 -90.3 82.04 6.01 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.283 -0.885 . . . . 0.0 110.242 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.541 ' CD ' HG21 ' A' ' 7' ' ' VAL . 13.5 mtpt . . . . . 0 N--CA 1.492 1.631 0 O-C-N 121.209 -0.932 . . . . 0.0 110.219 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.408 ' O ' ' HB2' ' A' ' 5' ' ' PHE . 79.4 m . . . . . 0 N--CA 1.491 1.605 0 CA-C-O 121.252 0.548 . . . . 0.0 110.217 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.523 ' O ' ' N ' ' A' ' 7' ' ' VAL . 0.1 OUTLIER 176.12 79.63 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.315 -0.866 . . . . 0.0 109.557 -179.899 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.469 ' HA ' ' O ' ' A' ' 15' ' ' TYR . 2.9 ttt-85 -43.75 93.19 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.426 -0.796 . . . . 0.0 110.476 -179.504 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.546 ' O ' ' HA ' ' A' ' 14' ' ' CYS . 16.0 m -72.2 129.52 35.58 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.399 0 O-C-N 121.266 -0.896 . . . . 0.0 109.933 179.758 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.607 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 34.4 m -112.07 146.88 37.16 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.463 -0.773 . . . . 0.0 110.607 -179.74 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.47 ' N ' ' O ' ' A' ' 13' ' ' PHE . 2.3 t80 -93.95 41.07 1.08 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.3 -0.875 . . . . 0.0 109.887 179.762 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.9 ttm-85 44.45 91.32 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.416 -0.803 . . . . 0.0 110.215 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.431 ' O ' ' HB2' ' A' ' 12' ' ' ARG . . . 140.17 -50.81 0.75 Allowed Glycine 0 N--CA 1.49 2.266 0 N-CA-C 109.577 -1.409 . . . . 0.0 109.577 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.484 ' O ' ' N ' ' A' ' 14' ' ' CYS . 0.3 OUTLIER 173.59 -38.52 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.286 -1.126 . . . . 0.0 109.846 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.47 ' O ' ' N ' ' A' ' 9' ' ' TYR . 4.6 m-85 -58.43 83.61 0.01 OUTLIER 'General case' 0 C--N 1.299 -1.619 0 O-C-N 121.632 -0.667 . . . . 0.0 110.075 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.607 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 47.6 t -130.29 140.08 50.69 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.373 -0.83 . . . . 0.0 109.38 179.8 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.469 ' O ' ' HA ' ' A' ' 6' ' ' ARG . 43.1 t80 -138.96 162.7 34.24 Favored 'General case' 0 C--N 1.301 -1.52 0 C-N-CA 119.245 -0.982 . . . . 0.0 110.646 -179.592 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.439 ' HA ' ' HA ' ' A' ' 6' ' ' ARG . 2.7 ptt180 -98.42 128.05 44.63 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.33 -0.856 . . . . 0.0 110.091 179.816 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.493 1.683 0 O-C-N 121.266 -0.896 . . . . 0.0 110.371 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.473 ' O ' ' CD2' ' A' ' 5' ' ' PHE . 49.0 t . . . . . 0 N--CA 1.491 1.585 0 CA-C-O 121.145 0.498 . . . . 0.0 110.203 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.583 ' O ' HG13 ' A' ' 7' ' ' VAL . 0.2 OUTLIER 173.52 80.44 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.132 -0.98 . . . . 0.0 109.767 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.466 ' HA ' ' HA ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -43.35 97.63 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.422 -0.799 . . . . 0.0 110.396 -179.563 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.583 HG13 ' O ' ' A' ' 5' ' ' PHE . 25.7 m -82.83 129.0 38.18 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.389 0 O-C-N 121.338 -0.851 . . . . 0.0 110.16 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.626 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 18.2 m -110.89 154.53 23.92 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.469 -0.769 . . . . 0.0 110.502 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.48 ' HB2' ' O ' ' A' ' 13' ' ' PHE . 0.2 OUTLIER -103.64 43.86 1.06 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.257 -0.902 . . . . 0.0 109.881 179.633 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' A' ' 9' ' ' TYR . 0.4 OUTLIER 42.35 88.2 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.449 -0.782 . . . . 0.0 110.368 -179.92 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.505 ' O ' ' CB ' ' A' ' 12' ' ' ARG . . . 144.97 -48.7 0.7 Allowed Glycine 0 N--CA 1.489 2.224 0 N-CA-C 109.612 -1.395 . . . . 0.0 109.612 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.505 ' CB ' ' O ' ' A' ' 11' ' ' GLY . 0.0 OUTLIER 168.74 -36.23 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.237 -1.155 . . . . 0.0 109.776 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.48 ' O ' ' HB2' ' A' ' 9' ' ' TYR . 34.3 m-85 -59.43 81.14 0.01 OUTLIER 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.636 -0.665 . . . . 0.0 110.117 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.626 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 42.5 t -129.7 138.36 51.11 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.234 -0.916 . . . . 0.0 109.275 179.635 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.464 ' CD1' ' N ' ' A' ' 16' ' ' ARG . 47.4 t80 -137.23 158.8 43.62 Favored 'General case' 0 C--N 1.3 -1.554 0 C-N-CA 119.219 -0.992 . . . . 0.0 110.72 -179.346 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.466 ' HA ' ' HA ' ' A' ' 6' ' ' ARG . 2.6 ptt180 -96.89 69.92 2.43 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.319 -0.863 . . . . 0.0 109.872 179.616 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.492 1.631 0 O-C-N 121.366 -0.834 . . . . 0.0 110.094 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 5.5 t . . . . . 0 N--CA 1.492 1.655 0 CA-C-O 121.218 0.532 . . . . 0.0 110.074 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.402 ' O ' HG13 ' A' ' 7' ' ' VAL . 0.1 OUTLIER -178.88 77.51 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.241 -0.912 . . . . 0.0 109.678 179.927 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -58.93 92.13 0.02 OUTLIER 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.458 -0.777 . . . . 0.0 110.258 -179.655 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.444 ' H ' HG22 ' A' ' 7' ' ' VAL . 14.2 m -103.35 130.3 53.86 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.346 0 O-C-N 121.284 -0.885 . . . . 0.0 109.99 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.54 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 6.1 t -110.55 156.88 20.3 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 121.167 -0.958 . . . . 0.0 110.966 -179.808 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -86.72 42.07 0.99 Allowed 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.541 -0.724 . . . . 0.0 109.53 179.117 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.7 ttt85 43.13 84.24 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.529 -0.732 . . . . 0.0 110.559 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.474 ' O ' ' CB ' ' A' ' 12' ' ' ARG . . . 161.48 -48.95 0.36 Allowed Glycine 0 N--CA 1.491 2.347 0 N-CA-C 109.871 -1.292 . . . . 0.0 109.871 179.649 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.474 ' CB ' ' O ' ' A' ' 11' ' ' GLY . 2.4 mtt180 169.59 -37.49 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.202 -1.175 . . . . 0.0 109.626 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.425 ' C ' ' SG ' ' A' ' 8' ' ' CYS . 2.3 m-85 -63.02 83.55 0.02 OUTLIER 'General case' 0 C--N 1.298 -1.642 0 O-C-N 121.588 -0.695 . . . . 0.0 109.254 179.364 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.54 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 10.3 m -108.46 111.75 23.8 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.446 -0.784 . . . . 0.0 109.161 -179.704 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.42 ' CZ ' ' O ' ' A' ' 16' ' ' ARG . 27.5 t80 -107.96 154.04 22.2 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 120.907 -1.12 . . . . 0.0 110.13 -179.569 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.42 ' O ' ' CZ ' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -105.23 131.35 52.81 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.204 -0.935 . . . . 0.0 110.147 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.595 0 O-C-N 121.21 -0.931 . . . . 0.0 110.257 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.419 ' O ' ' CG ' ' A' ' 5' ' ' PHE . 57.7 m . . . . . 0 N--CA 1.492 1.626 0 CA-C-O 121.272 0.558 . . . . 0.0 110.321 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.547 ' HB2' ' CG ' ' A' ' 17' ' ' LYS . 0.2 OUTLIER 179.04 78.6 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.296 -0.877 . . . . 0.0 109.586 179.948 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.508 ' CG ' ' O ' ' A' ' 6' ' ' ARG . 0.0 OUTLIER -41.73 94.56 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.5 -0.75 . . . . 0.0 110.497 -179.552 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.498 ' N ' ' O ' ' A' ' 5' ' ' PHE . 2.7 t -77.13 170.26 1.55 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 O-C-N 121.264 -0.897 . . . . 0.0 109.945 179.76 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.524 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 34.8 m -154.28 134.76 13.44 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.393 -0.817 . . . . 0.0 110.519 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.46 ' HB2' ' HB3' ' A' ' 13' ' ' PHE . 1.6 t80 -86.66 42.95 1.04 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.151 -0.968 . . . . 0.0 109.889 179.527 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.443 ' O ' ' HG2' ' A' ' 10' ' ' ARG . 14.1 ttp180 42.27 83.21 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.446 -0.784 . . . . 0.0 110.469 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.465 ' O ' ' CB ' ' A' ' 12' ' ' ARG . . . 151.82 -45.94 0.61 Allowed Glycine 0 N--CA 1.491 2.317 0 N-CA-C 109.751 -1.34 . . . . 0.0 109.751 179.716 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.516 ' O ' ' N ' ' A' ' 14' ' ' CYS . 0.0 OUTLIER 171.1 -38.05 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.222 -1.163 . . . . 0.0 109.555 -179.864 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.46 ' HB3' ' HB2' ' A' ' 9' ' ' TYR . 0.4 OUTLIER -54.3 87.77 0.01 OUTLIER 'General case' 0 C--N 1.299 -1.609 0 CA-C-O 121.48 0.657 . . . . 0.0 109.627 179.523 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.524 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 69.5 m -115.26 102.36 9.8 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 121.531 -0.731 . . . . 0.0 109.689 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.571 ' CG ' ' O ' ' A' ' 15' ' ' TYR . 2.4 p90 -109.0 121.85 46.02 Favored 'General case' 0 C--N 1.301 -1.505 0 C-N-CA 119.39 -0.924 . . . . 0.0 110.33 -179.708 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -58.61 125.24 22.57 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.21 -0.931 . . . . 0.0 110.21 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.547 ' CG ' ' HB2' ' A' ' 5' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.621 0 O-C-N 121.273 -0.892 . . . . 0.0 110.236 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.5 t . . . . . 0 N--CA 1.491 1.607 0 CA-C-O 121.217 0.532 . . . . 0.0 110.064 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.635 ' CD2' ' CG2' ' A' ' 7' ' ' VAL . 6.1 p90 -174.73 78.37 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.186 -0.946 . . . . 0.0 109.558 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.516 ' HA ' ' O ' ' A' ' 15' ' ' TYR . 3.8 ttt180 -52.01 97.65 0.02 OUTLIER 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.569 -0.707 . . . . 0.0 110.658 -179.339 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.635 ' CG2' ' CD2' ' A' ' 5' ' ' PHE . 2.5 t -87.76 164.91 2.2 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 121.278 -0.889 . . . . 0.0 109.718 179.517 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.578 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 5.4 t -151.63 154.42 36.36 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.235 -0.916 . . . . 0.0 111.098 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.4 ' C ' ' HD3' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -86.15 42.69 1.0 Allowed 'General case' 0 N--CA 1.49 1.558 0 CA-C-O 121.536 0.684 . . . . 0.0 109.396 179.033 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.521 ' HD3' ' N ' ' A' ' 10' ' ' ARG . 2.6 mpp_? 42.28 84.08 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.497 -0.752 . . . . 0.0 110.24 -179.71 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.47 ' O ' ' CB ' ' A' ' 12' ' ' ARG . . . 163.52 -49.31 0.31 Allowed Glycine 0 N--CA 1.491 2.343 0 N-CA-C 109.917 -1.273 . . . . 0.0 109.917 179.794 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.47 ' CB ' ' O ' ' A' ' 11' ' ' GLY . 0.2 OUTLIER 169.69 -37.77 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.271 -1.135 . . . . 0.0 109.626 -179.862 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.421 ' C ' ' SG ' ' A' ' 8' ' ' CYS . 10.4 m-85 -64.66 85.9 0.05 OUTLIER 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.593 -0.692 . . . . 0.0 109.239 179.351 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.578 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 7.8 m -109.83 136.53 49.0 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.427 -0.796 . . . . 0.0 108.871 -179.745 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.516 ' O ' ' HA ' ' A' ' 6' ' ' ARG . 18.7 t80 -119.32 147.28 44.49 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 120.831 -1.168 . . . . 0.0 110.53 -179.72 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.431 ' HA ' ' HA ' ' A' ' 6' ' ' ARG . 7.5 mtm180 -109.99 98.47 7.76 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.33 -0.856 . . . . 0.0 110.133 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.558 ' HB2' ' CZ ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.619 0 O-C-N 121.286 -0.884 . . . . 0.0 110.192 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 2.3 t . . . . . 0 N--CA 1.491 1.622 0 CA-C-O 121.207 0.527 . . . . 0.0 110.118 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 1.03 ' O ' HG23 ' A' ' 7' ' ' VAL . 0.1 OUTLIER -178.09 81.37 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.179 -0.951 . . . . 0.0 109.488 179.902 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 15.9 ttm-85 -55.41 107.98 0.38 Allowed 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.345 -0.847 . . . . 0.0 110.373 -179.46 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 1.03 HG23 ' O ' ' A' ' 5' ' ' PHE . 4.5 t -124.16 167.93 17.42 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.229 -0.92 . . . . 0.0 109.987 179.689 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.56 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 14.6 t -153.43 157.85 40.53 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.375 -0.828 . . . . 0.0 110.884 179.716 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.427 ' O ' ' C ' ' A' ' 10' ' ' ARG . 5.5 t80 -86.87 42.12 1.0 Allowed 'General case' 0 C--N 1.3 -1.554 0 C-N-CA 120.029 -0.669 . . . . 0.0 109.415 179.014 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.427 ' C ' ' O ' ' A' ' 9' ' ' TYR . 10.4 ttm180 40.43 81.4 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.641 -0.662 . . . . 0.0 110.458 -179.685 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.41 ' O ' ' CB ' ' A' ' 12' ' ' ARG . . . 160.99 -47.36 0.38 Allowed Glycine 0 N--CA 1.491 2.365 0 C-N-CA 119.537 -1.316 . . . . 0.0 110.108 179.77 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.512 ' O ' ' N ' ' A' ' 14' ' ' CYS . 0.9 OUTLIER 175.18 -39.8 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.143 -1.21 . . . . 0.0 109.71 -179.827 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.441 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 10.9 m-30 -61.36 79.85 0.01 OUTLIER 'General case' 0 C--N 1.298 -1.646 0 C-N-CA 119.897 -0.721 . . . . 0.0 109.382 179.448 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.56 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 6.9 m -110.15 99.41 8.48 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.346 -0.846 . . . . 0.0 109.123 -179.726 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -111.33 135.6 51.64 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.083 -1.011 . . . . 0.0 110.493 -179.377 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.8 mtt180 -72.56 135.24 45.53 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.256 -0.903 . . . . 0.0 110.09 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.491 1.602 0 O-C-N 121.249 -0.907 . . . . 0.0 110.278 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.433 ' O ' ' HB2' ' A' ' 5' ' ' PHE . 75.7 m . . . . . 0 N--CA 1.491 1.611 0 CA-C-O 121.266 0.555 . . . . 0.0 110.403 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.52 ' O ' ' N ' ' A' ' 7' ' ' VAL . 0.9 OUTLIER 176.91 79.75 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.35 -0.844 . . . . 0.0 109.511 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.412 ' HA ' ' HA ' ' A' ' 16' ' ' ARG . 7.9 ttt180 -47.43 90.73 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.526 -0.734 . . . . 0.0 110.507 -179.408 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.52 ' N ' ' O ' ' A' ' 5' ' ' PHE . 3.0 t -70.34 172.42 0.91 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.688 0 O-C-N 121.287 -0.883 . . . . 0.0 109.971 179.695 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.536 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 39.9 m -149.11 140.56 23.32 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.529 -0.732 . . . . 0.0 110.469 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.403 ' CB ' ' HB2' ' A' ' 13' ' ' PHE . 0.7 OUTLIER -91.15 43.3 1.14 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.175 -0.953 . . . . 0.0 109.823 179.572 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.467 ' O ' ' HD2' ' A' ' 10' ' ' ARG . 0.5 OUTLIER 46.87 90.76 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.447 -0.783 . . . . 0.0 110.463 179.945 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.485 ' O ' ' HB2' ' A' ' 12' ' ' ARG . . . 142.23 -50.52 0.71 Allowed Glycine 0 N--CA 1.491 2.308 0 N-CA-C 109.703 -1.359 . . . . 0.0 109.703 179.818 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.533 ' O ' ' N ' ' A' ' 14' ' ' CYS . 0.2 OUTLIER 173.28 -38.7 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.402 -1.058 . . . . 0.0 109.55 179.941 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.403 ' HB2' ' CB ' ' A' ' 9' ' ' TYR . 13.0 m-85 -50.2 89.32 0.0 OUTLIER 'General case' 0 C--N 1.299 -1.61 0 CA-C-O 121.491 0.663 . . . . 0.0 109.676 179.577 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.536 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 95.7 m -117.64 119.47 35.09 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.529 -0.732 . . . . 0.0 109.618 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -115.14 130.37 56.91 Favored 'General case' 0 C--N 1.301 -1.508 0 C-N-CA 119.075 -1.05 . . . . 0.0 110.464 -179.829 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.431 ' CG ' ' O ' ' A' ' 16' ' ' ARG . 3.1 ptt180 -79.41 94.13 5.49 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.283 -0.885 . . . . 0.0 110.121 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.9 mtmt . . . . . 0 N--CA 1.492 1.663 0 O-C-N 121.262 -0.899 . . . . 0.0 110.229 -179.894 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 62.4 m . . . . . 0 N--CA 1.491 1.623 0 CA-C-O 121.23 0.538 . . . . 0.0 110.16 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.496 ' O ' ' N ' ' A' ' 7' ' ' VAL . 0.1 OUTLIER 177.69 78.73 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.271 -0.893 . . . . 0.0 109.742 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.448 ' HA ' ' HA ' ' A' ' 16' ' ' ARG . 14.8 ttp180 -51.29 89.37 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.408 -0.808 . . . . 0.0 110.351 -179.627 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.543 ' O ' ' HA ' ' A' ' 14' ' ' CYS . 16.5 m -72.98 128.82 36.04 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.438 0 O-C-N 121.166 -0.959 . . . . 0.0 110.063 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.599 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 13.5 m -118.57 146.33 44.68 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.476 -0.765 . . . . 0.0 110.375 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.432 ' O ' ' C ' ' A' ' 10' ' ' ARG . 0.3 OUTLIER -95.38 43.21 1.09 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.28 -0.888 . . . . 0.0 109.997 179.912 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.432 ' C ' ' O ' ' A' ' 9' ' ' TYR . 0.0 OUTLIER 41.22 89.17 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.519 -0.738 . . . . 0.0 110.344 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.489 ' O ' ' CB ' ' A' ' 12' ' ' ARG . . . 146.26 -49.21 0.65 Allowed Glycine 0 N--CA 1.49 2.241 0 N-CA-C 109.575 -1.41 . . . . 0.0 109.575 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.489 ' CB ' ' O ' ' A' ' 11' ' ' GLY . 0.0 OUTLIER 169.36 -36.41 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.284 -1.127 . . . . 0.0 109.822 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -62.59 83.03 0.02 OUTLIER 'General case' 0 C--N 1.299 -1.612 0 O-C-N 121.552 -0.717 . . . . 0.0 109.978 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.599 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 49.3 t -130.58 138.56 50.21 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.348 -0.845 . . . . 0.0 109.573 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.431 ' O ' ' HA ' ' A' ' 6' ' ' ARG . 10.5 t80 -132.42 163.92 27.67 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.159 -0.963 . . . . 0.0 110.482 -179.689 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.448 ' HA ' ' HA ' ' A' ' 6' ' ' ARG . 0.0 OUTLIER -99.21 118.13 35.23 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.309 -0.869 . . . . 0.0 110.252 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.603 0 O-C-N 121.253 -0.904 . . . . 0.0 110.182 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.446 ' O ' ' HB2' ' A' ' 5' ' ' PHE . 2.1 t . . . . . 0 N--CA 1.491 1.604 0 CA-C-O 121.236 0.541 . . . . 0.0 110.174 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.819 ' O ' HG23 ' A' ' 7' ' ' VAL . 0.3 OUTLIER -179.97 78.57 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.283 -0.886 . . . . 0.0 109.666 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.435 ' HA ' ' HA ' ' A' ' 16' ' ' ARG . 22.6 ttt180 -55.85 111.42 0.92 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.406 -0.809 . . . . 0.0 110.404 -179.487 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.819 HG23 ' O ' ' A' ' 5' ' ' PHE . 2.5 t -117.96 162.37 16.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 121.266 -0.896 . . . . 0.0 109.898 179.706 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.534 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 81.9 m -118.83 140.69 49.55 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.454 -0.779 . . . . 0.0 110.65 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -84.49 36.25 0.58 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.246 -0.909 . . . . 0.0 110.336 179.297 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 20.4 mtp180 45.32 95.85 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.45 -0.781 . . . . 0.0 111.27 179.445 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.549 ' O ' ' CB ' ' A' ' 12' ' ' ARG . . . 150.78 -57.24 0.45 Allowed Glycine 0 N--CA 1.49 2.268 0 N-CA-C 109.781 -1.328 . . . . 0.0 109.781 179.285 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.549 ' CB ' ' O ' ' A' ' 11' ' ' GLY . 0.1 OUTLIER 163.31 47.41 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.619 -0.93 . . . . 0.0 109.536 -179.799 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -152.58 95.38 2.01 Favored 'General case' 0 C--N 1.297 -1.69 0 O-C-N 121.573 -0.704 . . . . 0.0 109.915 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.539 ' HA ' ' O ' ' A' ' 7' ' ' VAL . 84.9 m -106.51 109.11 20.94 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.31 -0.869 . . . . 0.0 108.91 179.488 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -106.75 144.49 33.33 Favored 'General case' 0 C--N 1.302 -1.498 0 C-N-CA 118.939 -1.104 . . . . 0.0 110.353 -179.34 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.435 ' HA ' ' HA ' ' A' ' 6' ' ' ARG . 11.8 mtm180 -85.63 118.43 25.13 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.246 -0.909 . . . . 0.0 110.272 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.1 mmtt . . . . . 0 N--CA 1.49 1.546 0 O-C-N 121.247 -0.908 . . . . 0.0 110.151 179.906 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.459 ' O ' ' HB2' ' A' ' 5' ' ' PHE . 2.2 t . . . . . 0 N--CA 1.491 1.584 0 CA-C-O 121.248 0.547 . . . . 0.0 110.222 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.783 ' O ' HG13 ' A' ' 7' ' ' VAL . 2.8 t80 -178.94 76.5 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.301 -0.875 . . . . 0.0 109.782 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.513 ' CG ' ' O ' ' A' ' 6' ' ' ARG . 0.1 OUTLIER -44.38 96.33 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.417 -0.802 . . . . 0.0 110.249 -179.674 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.783 HG13 ' O ' ' A' ' 5' ' ' PHE . 24.7 m -90.99 130.64 39.85 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.336 0 O-C-N 121.284 -0.885 . . . . 0.0 110.124 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.496 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 74.1 m -92.18 136.99 32.74 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.184 -0.948 . . . . 0.0 110.692 -179.742 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 9.8 t80 -82.65 39.47 0.62 Allowed 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.26 -0.9 . . . . 0.0 110.338 179.292 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.1 mtt180 40.73 93.6 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.436 -0.79 . . . . 0.0 111.318 179.527 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.554 ' O ' ' CB ' ' A' ' 12' ' ' ARG . . . 153.48 -56.46 0.43 Allowed Glycine 0 N--CA 1.491 2.322 0 N-CA-C 109.879 -1.288 . . . . 0.0 109.879 179.19 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.554 ' CB ' ' O ' ' A' ' 11' ' ' GLY . 0.0 OUTLIER 162.43 48.5 0.0 OUTLIER 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.697 -0.884 . . . . 0.0 109.336 -179.67 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.538 ' CD2' ' O ' ' A' ' 12' ' ' ARG . 34.4 m-85 -153.36 95.31 1.91 Allowed 'General case' 0 C--N 1.296 -1.733 0 O-C-N 121.661 -0.65 . . . . 0.0 109.867 -179.835 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.496 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 81.3 m -107.58 102.19 11.46 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.275 -0.891 . . . . 0.0 109.42 179.812 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.602 ' CE2' ' CG2' ' A' ' 7' ' ' VAL . 2.3 p90 -101.31 147.41 26.34 Favored 'General case' 0 C--N 1.301 -1.528 0 C-N-CA 119.287 -0.965 . . . . 0.0 110.388 -179.397 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.522 ' CG ' ' O ' ' A' ' 16' ' ' ARG . 17.5 ptt180 -95.0 113.52 25.23 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.197 -0.939 . . . . 0.0 110.091 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 52.9 tttt . . . . . 0 N--CA 1.492 1.641 0 O-C-N 121.178 -0.951 . . . . 0.0 110.252 -179.937 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 11.0 t . . . . . 0 N--CA 1.49 1.568 0 CA-C-O 121.307 0.575 . . . . 0.0 110.38 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.46 ' O ' HG22 ' A' ' 7' ' ' VAL . 0.1 OUTLIER 176.06 77.34 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.337 -0.852 . . . . 0.0 109.534 179.94 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 8.3 ttp180 -57.73 94.18 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.458 -0.776 . . . . 0.0 110.365 -179.54 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.46 HG22 ' O ' ' A' ' 5' ' ' PHE . 4.1 m -113.6 130.85 66.92 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.345 0 O-C-N 121.266 -0.896 . . . . 0.0 109.838 179.821 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.542 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 10.1 t -110.62 159.11 17.87 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.082 -1.011 . . . . 0.0 110.985 -179.678 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.43 ' O ' ' C ' ' A' ' 10' ' ' ARG . 4.2 m-85 -86.45 42.31 0.99 Allowed 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.583 -0.698 . . . . 0.0 109.503 179.14 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.43 ' C ' ' O ' ' A' ' 9' ' ' TYR . 6.3 ttp180 40.7 82.0 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.555 -0.716 . . . . 0.0 110.486 -179.759 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.464 ' O ' ' CB ' ' A' ' 12' ' ' ARG . . . 160.6 -47.48 0.39 Allowed Glycine 0 N--CA 1.491 2.342 0 C-N-CA 119.596 -1.288 . . . . 0.0 110.065 179.747 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.464 ' CB ' ' O ' ' A' ' 11' ' ' GLY . 1.8 mtp180 172.09 -37.97 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.136 -1.214 . . . . 0.0 109.842 -179.851 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.424 ' C ' ' SG ' ' A' ' 8' ' ' CYS . 2.8 m-85 -62.12 82.04 0.02 OUTLIER 'General case' 0 C--N 1.298 -1.632 0 O-C-N 121.512 -0.743 . . . . 0.0 109.334 179.43 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.542 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 7.8 m -109.84 106.81 16.55 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.301 -0.874 . . . . 0.0 109.273 -179.704 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 23.6 t80 -110.64 145.33 38.11 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 120.977 -1.077 . . . . 0.0 110.243 -179.547 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.403 ' O ' ' CG ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -101.68 127.68 48.32 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.22 -0.925 . . . . 0.0 110.113 179.918 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.7 tttp . . . . . 0 N--CA 1.491 1.625 0 O-C-N 121.264 -0.898 . . . . 0.0 110.205 -179.952 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.437 ' O ' ' CB ' ' A' ' 5' ' ' PHE . 1.7 t . . . . . 0 N--CA 1.492 1.639 0 CA-C-O 121.264 0.554 . . . . 0.0 110.36 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.659 ' O ' HG13 ' A' ' 7' ' ' VAL . 0.1 OUTLIER 172.44 80.79 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.317 -0.864 . . . . 0.0 109.604 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.528 ' CG ' ' O ' ' A' ' 6' ' ' ARG . 0.1 OUTLIER -41.09 94.16 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.472 -0.767 . . . . 0.0 110.562 -179.485 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.659 HG13 ' O ' ' A' ' 5' ' ' PHE . 23.5 m -82.45 129.94 36.61 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.401 0 O-C-N 121.199 -0.938 . . . . 0.0 110.278 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.614 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 17.0 m -112.03 150.72 30.24 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.433 -0.792 . . . . 0.0 110.487 -179.849 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.419 ' HB2' ' O ' ' A' ' 13' ' ' PHE . 2.3 m-85 -99.51 43.86 1.04 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.268 -0.895 . . . . 0.0 109.977 179.748 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 9' ' ' TYR . 12.0 mtt180 41.91 89.76 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.47 -0.769 . . . . 0.0 110.373 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.491 ' O ' ' CB ' ' A' ' 12' ' ' ARG . . . 144.21 -49.77 0.68 Allowed Glycine 0 N--CA 1.49 2.29 0 N-CA-C 109.518 -1.433 . . . . 0.0 109.518 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.491 ' CB ' ' O ' ' A' ' 11' ' ' GLY . 0.0 OUTLIER 169.83 -36.91 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.262 -1.14 . . . . 0.0 109.749 -180.0 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.419 ' O ' ' HB2' ' A' ' 9' ' ' TYR . 3.1 m-85 -59.96 82.63 0.01 OUTLIER 'General case' 0 C--N 1.299 -1.619 0 O-C-N 121.582 -0.699 . . . . 0.0 110.017 179.793 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.614 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 50.2 t -130.96 136.17 48.31 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.376 -0.828 . . . . 0.0 109.28 179.831 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.498 ' CE2' ' CG2' ' A' ' 7' ' ' VAL . 12.5 p90 -140.99 162.29 35.82 Favored 'General case' 0 C--N 1.3 -1.559 0 C-N-CA 119.124 -1.03 . . . . 0.0 110.62 -179.729 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.447 ' HA ' ' HA ' ' A' ' 6' ' ' ARG . 5.5 ptp180 -77.55 120.25 22.26 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.282 -0.886 . . . . 0.0 110.327 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.544 0 O-C-N 121.272 -0.892 . . . . 0.0 110.125 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.456 ' O ' ' HB2' ' A' ' 5' ' ' PHE . 69.1 m . . . . . 0 N--CA 1.492 1.627 0 CA-C-O 121.211 0.529 . . . . 0.0 110.137 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.52 ' O ' ' N ' ' A' ' 7' ' ' VAL . 3.0 t80 -179.95 79.37 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.227 -0.921 . . . . 0.0 109.66 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.513 ' HA ' ' O ' ' A' ' 15' ' ' TYR . 0.1 OUTLIER -50.41 89.87 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.401 -0.812 . . . . 0.0 110.213 -179.645 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.537 ' O ' ' HA ' ' A' ' 14' ' ' CYS . 16.8 m -74.05 129.16 36.59 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 O-C-N 121.239 -0.913 . . . . 0.0 110.258 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.595 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 15.0 m -117.55 146.38 43.62 Favored 'General case' 0 C--N 1.305 -1.361 0 O-C-N 121.523 -0.735 . . . . 0.0 110.348 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.422 ' O ' ' C ' ' A' ' 10' ' ' ARG . 0.3 OUTLIER -95.29 43.52 1.09 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.232 -0.917 . . . . 0.0 110.114 179.849 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.422 ' C ' ' O ' ' A' ' 9' ' ' TYR . 27.0 mtt-85 41.92 89.83 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.404 -0.81 . . . . 0.0 110.342 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.483 ' O ' ' CB ' ' A' ' 12' ' ' ARG . . . 144.78 -49.7 0.67 Allowed Glycine 0 N--CA 1.49 2.261 0 N-CA-C 109.615 -1.394 . . . . 0.0 109.615 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.483 ' CB ' ' O ' ' A' ' 11' ' ' GLY . 0.0 OUTLIER 169.8 -36.58 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.211 -1.17 . . . . 0.0 109.79 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.401 ' O ' ' HB2' ' A' ' 9' ' ' TYR . 46.6 m-85 -61.31 82.91 0.01 OUTLIER 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.505 -0.747 . . . . 0.0 109.967 179.771 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.595 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 53.9 t -130.68 140.68 50.38 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.396 -0.815 . . . . 0.0 109.501 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.513 ' O ' ' HA ' ' A' ' 6' ' ' ARG . 11.0 t80 -133.65 166.92 21.48 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.154 -0.966 . . . . 0.0 110.43 -179.731 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.473 ' CG ' ' O ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -108.63 94.97 5.34 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.266 -0.896 . . . . 0.0 110.132 179.895 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 42.8 mttt . . . . . 0 N--CA 1.491 1.61 0 O-C-N 121.225 -0.922 . . . . 0.0 110.285 -179.916 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.541 ' O ' ' CG ' ' A' ' 2' ' ' ARG . 0.4 OUTLIER . . . . . 0 N--CA 1.492 1.654 0 CA-C-O 121.031 0.443 . . . . 0.0 110.227 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.541 ' CG ' ' O ' ' A' ' 1' ' ' ARG . 7.6 ptp85 37.81 -161.13 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.696 -0.627 . . . . 0.0 110.916 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.435 ' O ' ' O ' ' A' ' 4' ' ' CYS . 11.4 m0 42.75 65.96 0.85 Allowed 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.241 -0.912 . . . . 0.0 110.344 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.444 ' SG ' ' N ' ' A' ' 18' ' ' CYS . 7.3 t -48.39 176.33 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.386 -0.821 . . . . 0.0 110.037 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.588 ' CD2' HG13 ' A' ' 7' ' ' VAL . 19.3 p90 -172.75 77.22 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.139 -0.976 . . . . 0.0 109.629 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.516 ' HA ' ' O ' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -43.63 100.31 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.468 -0.77 . . . . 0.0 110.286 -179.494 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.588 HG13 ' CD2' ' A' ' 5' ' ' PHE . 19.9 m -78.61 130.03 36.73 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.449 0 O-C-N 121.282 -0.886 . . . . 0.0 110.359 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.539 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 0.1 OUTLIER -99.18 143.82 29.01 Favored 'General case' 0 C--N 1.305 -1.344 0 O-C-N 121.275 -0.891 . . . . 0.0 110.428 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.527 ' HB2' ' CB ' ' A' ' 13' ' ' PHE . 0.1 OUTLIER -90.49 41.8 1.07 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.215 -0.928 . . . . 0.0 109.73 179.46 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 48.74 82.51 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.51 -0.744 . . . . 0.0 110.644 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.503 ' O ' ' CG ' ' A' ' 12' ' ' ARG . . . 147.23 -45.81 0.75 Allowed Glycine 0 N--CA 1.491 2.356 0 N-CA-C 109.756 -1.338 . . . . 0.0 109.756 179.668 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.52 ' O ' ' N ' ' A' ' 14' ' ' CYS . 0.0 OUTLIER 170.84 -38.58 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.289 -1.124 . . . . 0.0 109.548 -179.896 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.527 ' CB ' ' HB2' ' A' ' 9' ' ' TYR . 10.0 m-85 -50.53 90.82 0.0 OUTLIER 'General case' 0 C--N 1.299 -1.62 0 CA-C-O 121.546 0.689 . . . . 0.0 109.406 179.468 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.539 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 0.1 OUTLIER -116.97 112.97 21.72 Favored 'General case' 0 C--N 1.298 -1.646 0 O-C-N 121.566 -0.709 . . . . 0.0 109.436 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.516 ' O ' ' HA ' ' A' ' 6' ' ' ARG . 18.2 t80 -111.44 146.18 37.66 Favored 'General case' 0 N--CA 1.489 1.524 0 C-N-CA 119.236 -0.986 . . . . 0.0 110.406 -179.525 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.44 ' O ' ' HG2' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -101.62 120.03 39.69 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.323 -0.861 . . . . 0.0 110.319 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.424 ' O ' ' N ' ' A' ' 20' ' ' NH2 . 1.7 tptp -107.91 45.14 1.03 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.279 -0.888 . . . . 0.0 110.024 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.444 ' N ' ' SG ' ' A' ' 4' ' ' CYS . 60.1 m -44.63 122.8 3.3 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.295 -0.878 . . . . 0.0 110.211 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.1 mtm180 55.12 22.59 4.66 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.239 -0.913 . . . . 0.0 110.181 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . 0.424 ' N ' ' O ' ' A' ' 17' ' ' LYS . . . . . . . . 0 C--N 1.305 -1.341 0 O-C-N 119.882 -1.762 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.443 ' O ' ' CB ' ' A' ' 2' ' ' ARG . 1.9 ptp180 . . . . . 0 N--CA 1.492 1.645 0 CA-C-O 121.201 0.525 . . . . 0.0 110.22 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.443 ' CB ' ' O ' ' A' ' 1' ' ' ARG . 0.0 OUTLIER 65.7 -148.82 0.22 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.281 -0.887 . . . . 0.0 110.246 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.465 ' O ' ' O ' ' A' ' 4' ' ' CYS . 0.0 OUTLIER 42.04 54.36 4.07 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.36 -0.837 . . . . 0.0 109.994 -179.887 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.495 ' HA ' ' HA ' ' A' ' 18' ' ' CYS . 0.1 OUTLIER 43.78 -170.65 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.08 0 O-C-N 121.706 -0.621 . . . . 0.0 110.318 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.59 ' O ' HG13 ' A' ' 7' ' ' VAL . 0.2 OUTLIER 174.41 78.32 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.186 -0.946 . . . . 0.0 109.739 -179.826 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.521 ' O ' ' CG ' ' A' ' 6' ' ' ARG . 0.0 OUTLIER -47.66 96.47 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.423 -0.798 . . . . 0.0 110.423 -179.6 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.59 HG13 ' O ' ' A' ' 5' ' ' PHE . 25.6 m -82.65 129.75 36.92 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.367 0 O-C-N 121.146 -0.971 . . . . 0.0 110.154 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.534 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 63.7 m -91.49 142.24 27.87 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.261 -0.899 . . . . 0.0 110.424 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.452 ' HB3' ' HB2' ' A' ' 13' ' ' PHE . 1.1 t80 -88.91 43.18 1.13 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.278 -0.888 . . . . 0.0 110.304 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 10.4 ttt-85 50.55 95.42 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.383 -0.823 . . . . 0.0 110.597 179.612 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.439 ' O ' ' HB2' ' A' ' 12' ' ' ARG . . . 135.1 -50.64 0.85 Allowed Glycine 0 N--CA 1.491 2.327 0 N-CA-C 109.717 -1.353 . . . . 0.0 109.717 179.729 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.534 ' O ' ' N ' ' A' ' 14' ' ' CYS . 0.0 OUTLIER 173.86 -37.64 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.314 -1.109 . . . . 0.0 109.736 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.469 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 9.4 m-85 -48.32 89.12 0.0 OUTLIER 'General case' 0 C--N 1.301 -1.523 0 CA-C-O 121.551 0.691 . . . . 0.0 110.037 179.782 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.534 ' N ' ' O ' ' A' ' 12' ' ' ARG . 85.2 m -115.63 99.96 7.7 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.524 -0.735 . . . . 0.0 109.327 179.717 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.51 ' O ' ' HA ' ' A' ' 6' ' ' ARG . 42.2 t80 -113.35 160.83 17.96 Favored 'General case' 0 C--N 1.301 -1.513 0 C-N-CA 119.343 -0.943 . . . . 0.0 110.453 -179.562 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.429 ' HA ' ' HA ' ' A' ' 6' ' ' ARG . 59.7 mtt180 -97.4 84.87 3.52 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.307 -0.871 . . . . 0.0 110.436 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.524 ' HD2' HG21 ' A' ' 7' ' ' VAL . 41.6 mttm -64.81 -42.56 94.89 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.267 -0.895 . . . . 0.0 109.95 179.73 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.495 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 0.1 OUTLIER 62.98 141.64 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.31 -0.869 . . . . 0.0 110.314 179.762 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.419 ' O ' ' O ' ' A' ' 18' ' ' CYS . 14.6 mmt180 -47.0 -94.2 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.253 -0.905 . . . . 0.0 110.211 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.356 0 O-C-N 119.881 -1.762 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 12.6 ptm180 . . . . . 0 N--CA 1.492 1.636 0 CA-C-O 121.265 0.555 . . . . 0.0 110.219 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.457 ' O ' ' C ' ' A' ' 3' ' ' TRP . 3.1 ttt180 -140.15 -70.8 0.39 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.168 -0.957 . . . . 0.0 110.285 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.457 ' C ' ' O ' ' A' ' 2' ' ' ARG . 0.0 OUTLIER 37.39 48.08 0.8 Allowed 'General case' 0 N--CA 1.499 1.996 0 CA-C-O 121.675 0.75 . . . . 0.0 110.349 -179.947 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.43 ' HA ' ' HA ' ' A' ' 18' ' ' CYS . 60.5 m -71.48 -173.65 0.95 Allowed 'General case' 0 C--N 1.296 -1.723 0 O-C-N 121.743 -0.598 . . . . 0.0 110.27 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.648 ' O ' HG23 ' A' ' 7' ' ' VAL . 0.1 OUTLIER -173.79 76.54 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.226 -0.921 . . . . 0.0 109.616 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.2 ttp180 -48.38 114.86 1.04 Allowed 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.458 -0.776 . . . . 0.0 110.342 -179.553 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.648 HG23 ' O ' ' A' ' 5' ' ' PHE . 3.1 t -110.02 171.24 2.87 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.313 -0.867 . . . . 0.0 110.027 179.819 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.512 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 38.7 m -153.07 134.89 14.61 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.503 -0.748 . . . . 0.0 110.423 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.509 ' HB2' ' HB3' ' A' ' 13' ' ' PHE . 1.9 t80 -86.29 43.46 1.06 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.159 -0.963 . . . . 0.0 109.907 179.682 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.41 ' C ' ' O ' ' A' ' 9' ' ' TYR . 9.2 ttt180 42.7 85.53 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.449 -0.782 . . . . 0.0 110.417 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.436 ' O ' ' CB ' ' A' ' 12' ' ' ARG . . . 148.97 -46.7 0.66 Allowed Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.774 -1.33 . . . . 0.0 109.774 179.796 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.518 ' O ' ' N ' ' A' ' 14' ' ' CYS . 0.0 OUTLIER 171.18 -37.61 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.212 -1.169 . . . . 0.0 109.673 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.509 ' HB3' ' HB2' ' A' ' 9' ' ' TYR . 0.2 OUTLIER -53.91 87.61 0.0 OUTLIER 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.597 -0.69 . . . . 0.0 109.649 179.614 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.518 ' N ' ' O ' ' A' ' 12' ' ' ARG . 80.8 m -114.73 101.22 8.87 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.516 -0.74 . . . . 0.0 109.686 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.52 ' O ' ' CG ' ' A' ' 15' ' ' TYR . 3.1 p90 -107.05 126.52 52.44 Favored 'General case' 0 C--N 1.302 -1.461 0 C-N-CA 119.407 -0.917 . . . . 0.0 110.479 -179.678 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.3 mtt85 -73.73 128.45 35.55 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.241 -0.912 . . . . 0.0 110.148 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.7 ttmt -87.1 37.74 0.78 Allowed 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.212 -0.93 . . . . 0.0 110.231 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.43 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 8.9 m -55.93 130.05 42.15 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.237 -0.914 . . . . 0.0 110.232 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.48 ' CD ' ' C ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -112.73 -9.18 13.73 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.282 -0.886 . . . . 0.0 110.245 -179.939 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.347 0 O-C-N 119.831 -1.793 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 6.8 ptp180 . . . . . 0 N--CA 1.492 1.671 0 CA-C-O 121.185 0.517 . . . . 0.0 110.17 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.437 ' O ' ' N ' ' A' ' 4' ' ' CYS . 1.1 ttt180 -112.5 10.97 19.71 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.255 -0.903 . . . . 0.0 110.167 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.466 ' O ' ' O ' ' A' ' 4' ' ' CYS . 4.9 m-90 -69.62 62.36 0.17 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.265 -0.897 . . . . 0.0 110.241 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.466 ' O ' ' O ' ' A' ' 3' ' ' TRP . 0.8 OUTLIER 42.85 -166.75 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.087 0 O-C-N 121.454 -0.779 . . . . 0.0 110.041 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.522 ' O ' ' N ' ' A' ' 7' ' ' VAL . 0.1 OUTLIER -179.7 80.57 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.325 -0.859 . . . . 0.0 109.625 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.446 ' HA ' ' HA ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -50.69 88.69 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.454 -0.779 . . . . 0.0 110.383 -179.563 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.549 ' O ' ' HA ' ' A' ' 14' ' ' CYS . 12.5 m -67.07 128.67 30.7 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.392 0 O-C-N 121.149 -0.969 . . . . 0.0 109.986 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.602 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 14.4 m -116.84 147.29 42.27 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.535 -0.728 . . . . 0.0 110.541 -179.582 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.459 ' HB2' ' O ' ' A' ' 13' ' ' PHE . 0.4 OUTLIER -95.43 43.22 1.09 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.253 -0.904 . . . . 0.0 109.967 179.688 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.415 ' C ' ' O ' ' A' ' 9' ' ' TYR . 18.4 mtm180 42.42 90.35 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.41 -0.807 . . . . 0.0 110.22 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.459 ' O ' ' CB ' ' A' ' 12' ' ' ARG . . . 144.06 -49.99 0.68 Allowed Glycine 0 N--CA 1.491 2.3 0 N-CA-C 109.576 -1.41 . . . . 0.0 109.576 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.467 ' O ' ' N ' ' A' ' 14' ' ' CYS . 0.0 OUTLIER 169.91 -36.95 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.228 -1.16 . . . . 0.0 109.742 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.459 ' O ' ' HB2' ' A' ' 9' ' ' TYR . 0.7 OUTLIER -60.2 83.2 0.01 OUTLIER 'General case' 0 C--N 1.298 -1.646 0 O-C-N 121.62 -0.675 . . . . 0.0 109.823 179.695 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.602 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 52.7 t -130.89 137.8 49.51 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.403 -0.811 . . . . 0.0 109.613 -179.837 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 47.5 t80 -135.15 162.58 32.12 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.14 -0.975 . . . . 0.0 110.466 -179.682 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.446 ' HA ' ' HA ' ' A' ' 6' ' ' ARG . 4.3 mtm180 -90.3 82.04 6.01 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.283 -0.885 . . . . 0.0 110.242 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.541 ' CD ' HG21 ' A' ' 7' ' ' VAL . 13.5 mtpt -76.36 -40.24 51.69 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.209 -0.932 . . . . 0.0 110.219 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.439 ' HB2' ' O ' ' A' ' 17' ' ' LYS . 34.5 m 59.15 176.91 0.08 Allowed 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.19 -0.944 . . . . 0.0 110.16 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.9 39.97 1.25 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.238 -0.914 . . . . 0.0 110.294 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.316 0 O-C-N 119.84 -1.788 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 20.5 mmt180 . . . . . 0 N--CA 1.492 1.637 0 CA-C-O 121.236 0.541 . . . . 0.0 110.13 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 32.2 mtp180 -134.71 109.67 8.75 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.225 -0.922 . . . . 0.0 110.362 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 5.0 m0 -109.13 57.77 0.61 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.336 -0.852 . . . . 0.0 110.072 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.408 ' O ' ' HB2' ' A' ' 5' ' ' PHE . 79.4 m -46.38 169.65 0.01 OUTLIER 'General case' 0 C--N 1.299 -1.616 0 O-C-N 121.552 -0.718 . . . . 0.0 110.217 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.523 ' O ' ' N ' ' A' ' 7' ' ' VAL . 0.1 OUTLIER 176.12 79.63 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.315 -0.866 . . . . 0.0 109.557 -179.899 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.469 ' HA ' ' O ' ' A' ' 15' ' ' TYR . 2.9 ttt-85 -43.75 93.19 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.426 -0.796 . . . . 0.0 110.476 -179.504 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.546 ' O ' ' HA ' ' A' ' 14' ' ' CYS . 16.0 m -72.2 129.52 35.58 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.399 0 O-C-N 121.266 -0.896 . . . . 0.0 109.933 179.758 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.607 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 34.4 m -112.07 146.88 37.16 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.463 -0.773 . . . . 0.0 110.607 -179.74 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.47 ' N ' ' O ' ' A' ' 13' ' ' PHE . 2.3 t80 -93.95 41.07 1.08 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.3 -0.875 . . . . 0.0 109.887 179.762 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.9 ttm-85 44.45 91.32 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.416 -0.803 . . . . 0.0 110.215 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.431 ' O ' ' HB2' ' A' ' 12' ' ' ARG . . . 140.17 -50.81 0.75 Allowed Glycine 0 N--CA 1.49 2.266 0 N-CA-C 109.577 -1.409 . . . . 0.0 109.577 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.484 ' O ' ' N ' ' A' ' 14' ' ' CYS . 0.3 OUTLIER 173.59 -38.52 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.286 -1.126 . . . . 0.0 109.846 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.47 ' O ' ' N ' ' A' ' 9' ' ' TYR . 4.6 m-85 -58.43 83.61 0.01 OUTLIER 'General case' 0 C--N 1.299 -1.619 0 O-C-N 121.632 -0.667 . . . . 0.0 110.075 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.607 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 47.6 t -130.29 140.08 50.69 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.373 -0.83 . . . . 0.0 109.38 179.8 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.469 ' O ' ' HA ' ' A' ' 6' ' ' ARG . 43.1 t80 -138.96 162.7 34.24 Favored 'General case' 0 C--N 1.301 -1.52 0 C-N-CA 119.245 -0.982 . . . . 0.0 110.646 -179.592 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.439 ' HA ' ' HA ' ' A' ' 6' ' ' ARG . 2.7 ptt180 -98.42 128.05 44.63 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.33 -0.856 . . . . 0.0 110.091 179.816 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -123.45 65.91 1.01 Allowed 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.266 -0.896 . . . . 0.0 110.371 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.438 ' O ' ' CB ' ' A' ' 19' ' ' ARG . 22.8 m -57.15 120.71 8.53 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.198 -0.939 . . . . 0.0 110.235 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.438 ' CB ' ' O ' ' A' ' 18' ' ' CYS . 0.0 OUTLIER 65.23 101.9 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.233 -0.917 . . . . 0.0 110.207 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.346 0 O-C-N 119.912 -1.743 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.607 0 CA-C-O 121.223 0.535 . . . . 0.0 110.161 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.91 117.3 6.79 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.276 -0.89 . . . . 0.0 110.219 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 2.3 m95 -84.08 55.58 3.37 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.252 -0.905 . . . . 0.0 110.112 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.496 ' HA ' ' CB ' ' A' ' 18' ' ' CYS . 49.0 t -72.03 156.22 39.46 Favored 'General case' 0 C--N 1.299 -1.624 0 O-C-N 121.535 -0.728 . . . . 0.0 110.203 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.583 ' O ' HG13 ' A' ' 7' ' ' VAL . 0.2 OUTLIER 173.52 80.44 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.132 -0.98 . . . . 0.0 109.767 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.466 ' HA ' ' HA ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -43.35 97.63 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.422 -0.799 . . . . 0.0 110.396 -179.563 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.583 HG13 ' O ' ' A' ' 5' ' ' PHE . 25.7 m -82.83 129.0 38.18 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.389 0 O-C-N 121.338 -0.851 . . . . 0.0 110.16 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.626 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 18.2 m -110.89 154.53 23.92 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.469 -0.769 . . . . 0.0 110.502 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.48 ' HB2' ' O ' ' A' ' 13' ' ' PHE . 0.2 OUTLIER -103.64 43.86 1.06 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.257 -0.902 . . . . 0.0 109.881 179.633 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' A' ' 9' ' ' TYR . 0.4 OUTLIER 42.35 88.2 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.449 -0.782 . . . . 0.0 110.368 -179.92 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.505 ' O ' ' CB ' ' A' ' 12' ' ' ARG . . . 144.97 -48.7 0.7 Allowed Glycine 0 N--CA 1.489 2.224 0 N-CA-C 109.612 -1.395 . . . . 0.0 109.612 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.505 ' CB ' ' O ' ' A' ' 11' ' ' GLY . 0.0 OUTLIER 168.74 -36.23 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.237 -1.155 . . . . 0.0 109.776 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.48 ' O ' ' HB2' ' A' ' 9' ' ' TYR . 34.3 m-85 -59.43 81.14 0.01 OUTLIER 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.636 -0.665 . . . . 0.0 110.117 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.626 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 42.5 t -129.7 138.36 51.11 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.234 -0.916 . . . . 0.0 109.275 179.635 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.464 ' CD1' ' N ' ' A' ' 16' ' ' ARG . 47.4 t80 -137.23 158.8 43.62 Favored 'General case' 0 C--N 1.3 -1.554 0 C-N-CA 119.219 -0.992 . . . . 0.0 110.72 -179.346 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.466 ' HA ' ' HA ' ' A' ' 6' ' ' ARG . 2.6 ptt180 -96.89 69.92 2.43 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.319 -0.863 . . . . 0.0 109.872 179.616 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -72.43 55.5 0.34 Allowed 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.366 -0.834 . . . . 0.0 110.094 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.496 ' CB ' ' HA ' ' A' ' 4' ' ' CYS . 15.9 m -80.87 160.48 24.74 Favored 'General case' 0 C--N 1.305 -1.335 0 O-C-N 121.258 -0.901 . . . . 0.0 110.399 -179.74 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 18' ' ' CYS . 1.3 mmm180 43.93 87.18 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.336 -0.852 . . . . 0.0 110.238 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.33 0 O-C-N 119.843 -1.786 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 39.0 mtp180 . . . . . 0 N--CA 1.491 1.581 0 CA-C-O 121.358 0.599 . . . . 0.0 110.137 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 52.0 mtp180 -122.61 16.83 10.38 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.381 -0.824 . . . . 0.0 110.162 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 11.8 m0 -76.2 73.99 3.02 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.251 -0.906 . . . . 0.0 110.293 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 5.5 t -80.11 177.92 8.61 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.415 -0.803 . . . . 0.0 110.074 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.402 ' O ' HG13 ' A' ' 7' ' ' VAL . 0.1 OUTLIER -178.88 77.51 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.241 -0.912 . . . . 0.0 109.678 179.927 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -58.93 92.13 0.02 OUTLIER 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.458 -0.777 . . . . 0.0 110.258 -179.655 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.444 ' H ' HG22 ' A' ' 7' ' ' VAL . 14.2 m -103.35 130.3 53.86 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.346 0 O-C-N 121.284 -0.885 . . . . 0.0 109.99 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.54 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 6.1 t -110.55 156.88 20.3 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 121.167 -0.958 . . . . 0.0 110.966 -179.808 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -86.72 42.07 0.99 Allowed 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.541 -0.724 . . . . 0.0 109.53 179.117 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.7 ttt85 43.13 84.24 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.529 -0.732 . . . . 0.0 110.559 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.474 ' O ' ' CB ' ' A' ' 12' ' ' ARG . . . 161.48 -48.95 0.36 Allowed Glycine 0 N--CA 1.491 2.347 0 N-CA-C 109.871 -1.292 . . . . 0.0 109.871 179.649 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.474 ' CB ' ' O ' ' A' ' 11' ' ' GLY . 2.4 mtt180 169.59 -37.49 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.202 -1.175 . . . . 0.0 109.626 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.425 ' C ' ' SG ' ' A' ' 8' ' ' CYS . 2.3 m-85 -63.02 83.55 0.02 OUTLIER 'General case' 0 C--N 1.298 -1.642 0 O-C-N 121.588 -0.695 . . . . 0.0 109.254 179.364 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.54 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 10.3 m -108.46 111.75 23.8 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.446 -0.784 . . . . 0.0 109.161 -179.704 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.42 ' CZ ' ' O ' ' A' ' 16' ' ' ARG . 27.5 t80 -107.96 154.04 22.2 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 120.907 -1.12 . . . . 0.0 110.13 -179.569 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.42 ' O ' ' CZ ' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -105.23 131.35 52.81 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.204 -0.935 . . . . 0.0 110.147 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.15 23.04 4.58 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.21 -0.931 . . . . 0.0 110.257 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.5 m -45.56 112.12 0.42 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.255 -0.903 . . . . 0.0 110.195 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.45 147.77 52.82 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.267 -0.896 . . . . 0.0 110.253 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.363 0 O-C-N 119.811 -1.806 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.457 ' O ' ' CB ' ' A' ' 2' ' ' ARG . 7.3 ptm180 . . . . . 0 N--CA 1.492 1.635 0 CA-C-O 121.194 0.521 . . . . 0.0 110.179 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.457 ' CB ' ' O ' ' A' ' 1' ' ' ARG . 1.7 ttm180 66.27 -69.09 0.12 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.297 -0.877 . . . . 0.0 110.351 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.456 ' N ' ' O ' ' A' ' 1' ' ' ARG . 0.6 OUTLIER 39.21 47.06 1.34 Allowed 'General case' 0 N--CA 1.498 1.941 0 CA-C-O 121.824 0.821 . . . . 0.0 110.09 -179.799 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.428 ' O ' ' O ' ' A' ' 3' ' ' TRP . 57.7 m -52.55 -173.14 0.0 OUTLIER 'General case' 0 C--N 1.297 -1.703 0 O-C-N 121.79 -0.569 . . . . 0.0 110.321 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.547 ' HB2' ' CG ' ' A' ' 17' ' ' LYS . 0.2 OUTLIER 179.04 78.6 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.296 -0.877 . . . . 0.0 109.586 179.948 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.508 ' O ' ' CG ' ' A' ' 6' ' ' ARG . 0.0 OUTLIER -41.73 94.56 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.5 -0.75 . . . . 0.0 110.497 -179.552 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.498 ' N ' ' O ' ' A' ' 5' ' ' PHE . 2.7 t -77.13 170.26 1.55 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 O-C-N 121.264 -0.897 . . . . 0.0 109.945 179.76 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.524 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 34.8 m -154.28 134.76 13.44 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.393 -0.817 . . . . 0.0 110.519 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.46 ' HB2' ' HB3' ' A' ' 13' ' ' PHE . 1.6 t80 -86.66 42.95 1.04 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.151 -0.968 . . . . 0.0 109.889 179.527 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.443 ' O ' ' HG2' ' A' ' 10' ' ' ARG . 14.1 ttp180 42.27 83.21 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.446 -0.784 . . . . 0.0 110.469 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.465 ' O ' ' CB ' ' A' ' 12' ' ' ARG . . . 151.82 -45.94 0.61 Allowed Glycine 0 N--CA 1.491 2.317 0 N-CA-C 109.751 -1.34 . . . . 0.0 109.751 179.716 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.516 ' O ' ' N ' ' A' ' 14' ' ' CYS . 0.0 OUTLIER 171.1 -38.05 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.222 -1.163 . . . . 0.0 109.555 -179.864 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.46 ' HB3' ' HB2' ' A' ' 9' ' ' TYR . 0.4 OUTLIER -54.3 87.77 0.01 OUTLIER 'General case' 0 C--N 1.299 -1.609 0 CA-C-O 121.48 0.657 . . . . 0.0 109.627 179.523 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.524 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 69.5 m -115.26 102.36 9.8 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 121.531 -0.731 . . . . 0.0 109.689 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.571 ' CG ' ' O ' ' A' ' 15' ' ' TYR . 2.4 p90 -109.0 121.85 46.02 Favored 'General case' 0 C--N 1.301 -1.505 0 C-N-CA 119.39 -0.924 . . . . 0.0 110.33 -179.708 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -58.61 125.24 22.57 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.21 -0.931 . . . . 0.0 110.21 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.547 ' CG ' ' HB2' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -88.6 27.45 1.29 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.273 -0.892 . . . . 0.0 110.236 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.426 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 19.5 m -43.35 97.49 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.261 -0.899 . . . . 0.0 110.195 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 17' ' ' LYS . 4.3 mmm180 42.11 77.23 0.06 Allowed 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.35 -0.844 . . . . 0.0 110.271 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.367 0 O-C-N 119.9 -1.75 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.494 ' HG3' ' N ' ' A' ' 2' ' ' ARG . 22.8 tpt180 . . . . . 0 N--CA 1.492 1.63 0 CA-C-O 121.289 0.566 . . . . 0.0 110.22 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.494 ' N ' ' HG3' ' A' ' 1' ' ' ARG . 4.6 mtt180 -66.33 111.66 3.62 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.194 -0.941 . . . . 0.0 110.178 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -118.68 56.85 0.88 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.228 -0.92 . . . . 0.0 110.199 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.5 t -76.61 156.79 32.44 Favored 'General case' 0 C--N 1.298 -1.637 0 O-C-N 121.53 -0.731 . . . . 0.0 110.064 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.635 ' CD2' ' CG2' ' A' ' 7' ' ' VAL . 6.1 p90 -174.73 78.37 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.186 -0.946 . . . . 0.0 109.558 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.516 ' HA ' ' O ' ' A' ' 15' ' ' TYR . 3.8 ttt180 -52.01 97.65 0.02 OUTLIER 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.569 -0.707 . . . . 0.0 110.658 -179.339 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.635 ' CG2' ' CD2' ' A' ' 5' ' ' PHE . 2.5 t -87.76 164.91 2.2 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 121.278 -0.889 . . . . 0.0 109.718 179.517 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.578 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 5.4 t -151.63 154.42 36.36 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.235 -0.916 . . . . 0.0 111.098 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.4 ' C ' ' HD3' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -86.15 42.69 1.0 Allowed 'General case' 0 N--CA 1.49 1.558 0 CA-C-O 121.536 0.684 . . . . 0.0 109.396 179.033 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.521 ' HD3' ' N ' ' A' ' 10' ' ' ARG . 2.6 mpp_? 42.28 84.08 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.497 -0.752 . . . . 0.0 110.24 -179.71 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.47 ' O ' ' CB ' ' A' ' 12' ' ' ARG . . . 163.52 -49.31 0.31 Allowed Glycine 0 N--CA 1.491 2.343 0 N-CA-C 109.917 -1.273 . . . . 0.0 109.917 179.794 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.47 ' CB ' ' O ' ' A' ' 11' ' ' GLY . 0.2 OUTLIER 169.69 -37.77 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.271 -1.135 . . . . 0.0 109.626 -179.862 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.421 ' C ' ' SG ' ' A' ' 8' ' ' CYS . 10.4 m-85 -64.66 85.9 0.05 OUTLIER 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.593 -0.692 . . . . 0.0 109.239 179.351 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.578 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 7.8 m -109.83 136.53 49.0 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.427 -0.796 . . . . 0.0 108.871 -179.745 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.516 ' O ' ' HA ' ' A' ' 6' ' ' ARG . 18.7 t80 -119.32 147.28 44.49 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 120.831 -1.168 . . . . 0.0 110.53 -179.72 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.431 ' HA ' ' HA ' ' A' ' 6' ' ' ARG . 7.5 mtm180 -109.99 98.47 7.76 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.33 -0.856 . . . . 0.0 110.133 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.558 ' HB2' ' CZ ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -86.13 48.6 1.64 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.286 -0.884 . . . . 0.0 110.192 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -48.38 141.16 6.92 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.306 -0.871 . . . . 0.0 110.186 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.47 ' NH2' ' HG3' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -121.51 173.86 7.13 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.279 -0.888 . . . . 0.0 110.214 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.339 0 O-C-N 119.83 -1.794 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.603 0 CA-C-O 121.284 0.564 . . . . 0.0 110.217 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -140.26 21.96 2.4 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.185 -0.947 . . . . 0.0 110.21 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.44 ' O ' ' O ' ' A' ' 4' ' ' CYS . 7.8 m0 -95.32 73.82 3.32 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.225 -0.922 . . . . 0.0 110.184 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.44 ' O ' ' O ' ' A' ' 3' ' ' TRP . 2.3 t -53.33 -171.74 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.313 -0.867 . . . . 0.0 110.118 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 1.03 ' O ' HG23 ' A' ' 7' ' ' VAL . 0.1 OUTLIER -178.09 81.37 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.179 -0.951 . . . . 0.0 109.488 179.902 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 15.9 ttm-85 -55.41 107.98 0.38 Allowed 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.345 -0.847 . . . . 0.0 110.373 -179.46 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 1.03 HG23 ' O ' ' A' ' 5' ' ' PHE . 4.5 t -124.16 167.93 17.42 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.229 -0.92 . . . . 0.0 109.987 179.689 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.56 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 14.6 t -153.43 157.85 40.53 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.375 -0.828 . . . . 0.0 110.884 179.716 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.427 ' O ' ' C ' ' A' ' 10' ' ' ARG . 5.5 t80 -86.87 42.12 1.0 Allowed 'General case' 0 C--N 1.3 -1.554 0 C-N-CA 120.029 -0.669 . . . . 0.0 109.415 179.014 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.427 ' C ' ' O ' ' A' ' 9' ' ' TYR . 10.4 ttm180 40.43 81.4 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.641 -0.662 . . . . 0.0 110.458 -179.685 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.41 ' O ' ' CB ' ' A' ' 12' ' ' ARG . . . 160.99 -47.36 0.38 Allowed Glycine 0 N--CA 1.491 2.365 0 C-N-CA 119.537 -1.316 . . . . 0.0 110.108 179.77 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.512 ' O ' ' N ' ' A' ' 14' ' ' CYS . 0.9 OUTLIER 175.18 -39.8 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.143 -1.21 . . . . 0.0 109.71 -179.827 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.441 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 10.9 m-30 -61.36 79.85 0.01 OUTLIER 'General case' 0 C--N 1.298 -1.646 0 C-N-CA 119.897 -0.721 . . . . 0.0 109.382 179.448 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.56 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 6.9 m -110.15 99.41 8.48 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.346 -0.846 . . . . 0.0 109.123 -179.726 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -111.33 135.6 51.64 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.083 -1.011 . . . . 0.0 110.493 -179.377 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.8 mtt180 -72.56 135.24 45.53 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.256 -0.903 . . . . 0.0 110.09 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -87.48 34.17 0.7 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.249 -0.907 . . . . 0.0 110.278 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.1 m -55.21 124.86 18.34 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.242 -0.911 . . . . 0.0 110.163 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -171.18 173.74 4.85 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.215 -0.928 . . . . 0.0 110.234 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.339 0 O-C-N 119.84 -1.787 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 10.9 ptm180 . . . . . 0 N--CA 1.492 1.633 0 CA-C-O 121.231 0.539 . . . . 0.0 110.198 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 16.0 mtt180 -144.63 19.22 1.67 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.218 -0.926 . . . . 0.0 110.242 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 1.7 m95 -76.51 58.96 1.41 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.253 -0.904 . . . . 0.0 110.121 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.433 ' O ' ' HB2' ' A' ' 5' ' ' PHE . 75.7 m -58.43 -169.92 0.01 OUTLIER 'General case' 0 C--N 1.299 -1.627 0 O-C-N 121.552 -0.717 . . . . 0.0 110.403 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.52 ' O ' ' N ' ' A' ' 7' ' ' VAL . 0.9 OUTLIER 176.91 79.75 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.35 -0.844 . . . . 0.0 109.511 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.412 ' HA ' ' HA ' ' A' ' 16' ' ' ARG . 7.9 ttt180 -47.43 90.73 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.526 -0.734 . . . . 0.0 110.507 -179.408 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.52 ' N ' ' O ' ' A' ' 5' ' ' PHE . 3.0 t -70.34 172.42 0.91 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.688 0 O-C-N 121.287 -0.883 . . . . 0.0 109.971 179.695 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.536 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 39.9 m -149.11 140.56 23.32 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.529 -0.732 . . . . 0.0 110.469 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.403 ' CB ' ' HB2' ' A' ' 13' ' ' PHE . 0.7 OUTLIER -91.15 43.3 1.14 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.175 -0.953 . . . . 0.0 109.823 179.572 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.467 ' O ' ' HD2' ' A' ' 10' ' ' ARG . 0.5 OUTLIER 46.87 90.76 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.447 -0.783 . . . . 0.0 110.463 179.945 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.485 ' O ' ' HB2' ' A' ' 12' ' ' ARG . . . 142.23 -50.52 0.71 Allowed Glycine 0 N--CA 1.491 2.308 0 N-CA-C 109.703 -1.359 . . . . 0.0 109.703 179.818 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.533 ' O ' ' N ' ' A' ' 14' ' ' CYS . 0.2 OUTLIER 173.28 -38.7 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.402 -1.058 . . . . 0.0 109.55 179.941 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.403 ' HB2' ' CB ' ' A' ' 9' ' ' TYR . 13.0 m-85 -50.2 89.32 0.0 OUTLIER 'General case' 0 C--N 1.299 -1.61 0 CA-C-O 121.491 0.663 . . . . 0.0 109.676 179.577 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.536 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 95.7 m -117.64 119.47 35.09 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.529 -0.732 . . . . 0.0 109.618 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -115.14 130.37 56.91 Favored 'General case' 0 C--N 1.301 -1.508 0 C-N-CA 119.075 -1.05 . . . . 0.0 110.464 -179.829 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.431 ' CG ' ' O ' ' A' ' 16' ' ' ARG . 3.1 ptt180 -79.41 94.13 5.49 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.283 -0.885 . . . . 0.0 110.121 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.9 mtmt -81.0 62.21 4.89 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.262 -0.899 . . . . 0.0 110.229 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.407 ' O ' ' C ' ' A' ' 19' ' ' ARG . 1.3 m -57.56 134.08 55.82 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.211 -0.931 . . . . 0.0 110.268 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 18' ' ' CYS . 0.0 OUTLIER 42.98 79.67 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.284 -0.885 . . . . 0.0 110.198 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.341 0 O-C-N 119.865 -1.772 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 5.3 tpt180 . . . . . 0 N--CA 1.491 1.617 0 CA-C-O 121.285 0.564 . . . . 0.0 110.176 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 74.7 mtt-85 -106.66 113.57 27.15 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.215 -0.928 . . . . 0.0 110.237 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 2.0 m0 -81.46 56.24 2.87 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.233 -0.917 . . . . 0.0 110.114 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.421 ' HA ' ' HA ' ' A' ' 18' ' ' CYS . 62.4 m -51.89 175.49 0.02 OUTLIER 'General case' 0 C--N 1.299 -1.63 0 O-C-N 121.61 -0.681 . . . . 0.0 110.16 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.496 ' O ' ' N ' ' A' ' 7' ' ' VAL . 0.1 OUTLIER 177.69 78.73 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.271 -0.893 . . . . 0.0 109.742 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.448 ' HA ' ' HA ' ' A' ' 16' ' ' ARG . 14.8 ttp180 -51.29 89.37 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.408 -0.808 . . . . 0.0 110.351 -179.627 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.543 ' O ' ' HA ' ' A' ' 14' ' ' CYS . 16.5 m -72.98 128.82 36.04 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.438 0 O-C-N 121.166 -0.959 . . . . 0.0 110.063 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.599 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 13.5 m -118.57 146.33 44.68 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.476 -0.765 . . . . 0.0 110.375 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.432 ' O ' ' C ' ' A' ' 10' ' ' ARG . 0.3 OUTLIER -95.38 43.21 1.09 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.28 -0.888 . . . . 0.0 109.997 179.912 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.432 ' C ' ' O ' ' A' ' 9' ' ' TYR . 0.0 OUTLIER 41.22 89.17 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.519 -0.738 . . . . 0.0 110.344 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.489 ' O ' ' CB ' ' A' ' 12' ' ' ARG . . . 146.26 -49.21 0.65 Allowed Glycine 0 N--CA 1.49 2.241 0 N-CA-C 109.575 -1.41 . . . . 0.0 109.575 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.489 ' CB ' ' O ' ' A' ' 11' ' ' GLY . 0.0 OUTLIER 169.36 -36.41 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.284 -1.127 . . . . 0.0 109.822 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -62.59 83.03 0.02 OUTLIER 'General case' 0 C--N 1.299 -1.612 0 O-C-N 121.552 -0.717 . . . . 0.0 109.978 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.599 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 49.3 t -130.58 138.56 50.21 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.348 -0.845 . . . . 0.0 109.573 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.431 ' O ' ' HA ' ' A' ' 6' ' ' ARG . 10.5 t80 -132.42 163.92 27.67 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.159 -0.963 . . . . 0.0 110.482 -179.689 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.476 ' HD3' ' SG ' ' A' ' 18' ' ' CYS . 0.0 OUTLIER -99.21 118.13 35.23 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.309 -0.869 . . . . 0.0 110.252 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.41 32.82 1.15 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.253 -0.904 . . . . 0.0 110.182 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.476 ' SG ' ' HD3' ' A' ' 16' ' ' ARG . 1.8 m -47.45 129.95 13.43 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.266 -0.896 . . . . 0.0 110.257 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.89 145.55 54.48 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.295 -0.878 . . . . 0.0 110.204 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.337 0 O-C-N 119.862 -1.774 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 11.8 mmt85 . . . . . 0 N--CA 1.492 1.657 0 CA-C-O 121.213 0.53 . . . . 0.0 110.19 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 5.1 ttm105 -135.62 12.53 3.45 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.261 -0.899 . . . . 0.0 110.293 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 4.8 m-90 -70.73 73.95 0.57 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.213 -0.929 . . . . 0.0 110.258 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.446 ' O ' ' HB2' ' A' ' 5' ' ' PHE . 2.1 t -76.71 -177.46 4.29 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.347 -0.846 . . . . 0.0 110.174 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.819 ' O ' HG23 ' A' ' 7' ' ' VAL . 0.3 OUTLIER -179.97 78.57 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.283 -0.886 . . . . 0.0 109.666 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.435 ' HA ' ' HA ' ' A' ' 16' ' ' ARG . 22.6 ttt180 -55.85 111.42 0.92 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.406 -0.809 . . . . 0.0 110.404 -179.487 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.819 HG23 ' O ' ' A' ' 5' ' ' PHE . 2.5 t -117.96 162.37 16.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 121.266 -0.896 . . . . 0.0 109.898 179.706 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.534 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 81.9 m -118.83 140.69 49.55 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.454 -0.779 . . . . 0.0 110.65 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -84.49 36.25 0.58 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.246 -0.909 . . . . 0.0 110.336 179.297 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 20.4 mtp180 45.32 95.85 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.45 -0.781 . . . . 0.0 111.27 179.445 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.549 ' O ' ' CB ' ' A' ' 12' ' ' ARG . . . 150.78 -57.24 0.45 Allowed Glycine 0 N--CA 1.49 2.268 0 N-CA-C 109.781 -1.328 . . . . 0.0 109.781 179.285 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.549 ' CB ' ' O ' ' A' ' 11' ' ' GLY . 0.1 OUTLIER 163.31 47.41 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.619 -0.93 . . . . 0.0 109.536 -179.799 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -152.58 95.38 2.01 Favored 'General case' 0 C--N 1.297 -1.69 0 O-C-N 121.573 -0.704 . . . . 0.0 109.915 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.539 ' HA ' ' O ' ' A' ' 7' ' ' VAL . 84.9 m -106.51 109.11 20.94 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.31 -0.869 . . . . 0.0 108.91 179.488 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -106.75 144.49 33.33 Favored 'General case' 0 C--N 1.302 -1.498 0 C-N-CA 118.939 -1.104 . . . . 0.0 110.353 -179.34 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.435 ' HA ' ' HA ' ' A' ' 6' ' ' ARG . 11.8 mtm180 -85.63 118.43 25.13 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.246 -0.909 . . . . 0.0 110.272 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.45 ' O ' ' O ' ' A' ' 18' ' ' CYS . 6.1 mmtt -62.42 -68.45 0.33 Allowed 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.247 -0.908 . . . . 0.0 110.151 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.45 ' O ' ' O ' ' A' ' 17' ' ' LYS . 1.3 m 54.8 108.12 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.307 -0.87 . . . . 0.0 110.219 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -49.35 -54.03 19.24 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.277 -0.889 . . . . 0.0 110.252 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.359 0 O-C-N 119.905 -1.747 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.45 ' O ' ' HB2' ' A' ' 2' ' ' ARG . 4.1 ptm180 . . . . . 0 N--CA 1.492 1.628 0 CA-C-O 121.255 0.55 . . . . 0.0 110.237 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.45 ' HB2' ' O ' ' A' ' 1' ' ' ARG . 0.1 OUTLIER 56.25 16.88 2.53 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.248 -0.907 . . . . 0.0 110.278 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 43.8 m0 -78.28 74.25 4.82 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.225 -0.922 . . . . 0.0 110.175 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.459 ' O ' ' HB2' ' A' ' 5' ' ' PHE . 2.2 t -64.65 -177.83 0.35 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.417 -0.802 . . . . 0.0 110.222 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.783 ' O ' HG13 ' A' ' 7' ' ' VAL . 2.8 t80 -178.94 76.5 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.301 -0.875 . . . . 0.0 109.782 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.513 ' O ' ' CG ' ' A' ' 6' ' ' ARG . 0.1 OUTLIER -44.38 96.33 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.417 -0.802 . . . . 0.0 110.249 -179.674 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.783 HG13 ' O ' ' A' ' 5' ' ' PHE . 24.7 m -90.99 130.64 39.85 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.336 0 O-C-N 121.284 -0.885 . . . . 0.0 110.124 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.496 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 74.1 m -92.18 136.99 32.74 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.184 -0.948 . . . . 0.0 110.692 -179.742 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 9.8 t80 -82.65 39.47 0.62 Allowed 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.26 -0.9 . . . . 0.0 110.338 179.292 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.1 mtt180 40.73 93.6 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.436 -0.79 . . . . 0.0 111.318 179.527 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.554 ' O ' ' CB ' ' A' ' 12' ' ' ARG . . . 153.48 -56.46 0.43 Allowed Glycine 0 N--CA 1.491 2.322 0 N-CA-C 109.879 -1.288 . . . . 0.0 109.879 179.19 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.554 ' CB ' ' O ' ' A' ' 11' ' ' GLY . 0.0 OUTLIER 162.43 48.5 0.0 OUTLIER 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.697 -0.884 . . . . 0.0 109.336 -179.67 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.538 ' CD2' ' O ' ' A' ' 12' ' ' ARG . 34.4 m-85 -153.36 95.31 1.91 Allowed 'General case' 0 C--N 1.296 -1.733 0 O-C-N 121.661 -0.65 . . . . 0.0 109.867 -179.835 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.496 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 81.3 m -107.58 102.19 11.46 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.275 -0.891 . . . . 0.0 109.42 179.812 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.602 ' CE2' ' CG2' ' A' ' 7' ' ' VAL . 2.3 p90 -101.31 147.41 26.34 Favored 'General case' 0 C--N 1.301 -1.528 0 C-N-CA 119.287 -0.965 . . . . 0.0 110.388 -179.397 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.522 ' CG ' ' O ' ' A' ' 16' ' ' ARG . 17.5 ptt180 -95.0 113.52 25.23 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.197 -0.939 . . . . 0.0 110.091 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.46 ' O ' ' HB2' ' A' ' 18' ' ' CYS . 52.9 tttt -70.93 -50.15 37.8 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.178 -0.951 . . . . 0.0 110.252 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.46 ' HB2' ' O ' ' A' ' 17' ' ' LYS . 4.4 m 56.97 108.2 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.226 -0.921 . . . . 0.0 110.214 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.451 ' O ' ' O ' ' A' ' 18' ' ' CYS . 0.1 OUTLIER 49.49 -179.22 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.24 -0.912 . . . . 0.0 110.208 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.362 0 O-C-N 119.838 -1.789 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 29.1 mmt180 . . . . . 0 N--CA 1.491 1.618 0 CA-C-O 121.189 0.519 . . . . 0.0 110.224 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 25.9 mtt-85 -114.57 111.8 21.92 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.259 -0.901 . . . . 0.0 110.37 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 42.5 m0 -91.22 57.2 3.34 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.251 -0.905 . . . . 0.0 109.922 179.76 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.486 ' CB ' ' HA ' ' A' ' 18' ' ' CYS . 11.0 t -98.22 168.42 10.25 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 121.49 -0.756 . . . . 0.0 110.38 -179.839 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.46 ' O ' HG22 ' A' ' 7' ' ' VAL . 0.1 OUTLIER 176.06 77.34 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.337 -0.852 . . . . 0.0 109.534 179.94 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 8.3 ttp180 -57.73 94.18 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.458 -0.776 . . . . 0.0 110.365 -179.54 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.46 HG22 ' O ' ' A' ' 5' ' ' PHE . 4.1 m -113.6 130.85 66.92 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.345 0 O-C-N 121.266 -0.896 . . . . 0.0 109.838 179.821 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.542 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 10.1 t -110.62 159.11 17.87 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.082 -1.011 . . . . 0.0 110.985 -179.678 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.43 ' O ' ' C ' ' A' ' 10' ' ' ARG . 4.2 m-85 -86.45 42.31 0.99 Allowed 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.583 -0.698 . . . . 0.0 109.503 179.14 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.43 ' C ' ' O ' ' A' ' 9' ' ' TYR . 6.3 ttp180 40.7 82.0 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.555 -0.716 . . . . 0.0 110.486 -179.759 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.464 ' O ' ' CB ' ' A' ' 12' ' ' ARG . . . 160.6 -47.48 0.39 Allowed Glycine 0 N--CA 1.491 2.342 0 C-N-CA 119.596 -1.288 . . . . 0.0 110.065 179.747 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.464 ' CB ' ' O ' ' A' ' 11' ' ' GLY . 1.8 mtp180 172.09 -37.97 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.136 -1.214 . . . . 0.0 109.842 -179.851 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.424 ' C ' ' SG ' ' A' ' 8' ' ' CYS . 2.8 m-85 -62.12 82.04 0.02 OUTLIER 'General case' 0 C--N 1.298 -1.632 0 O-C-N 121.512 -0.743 . . . . 0.0 109.334 179.43 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.542 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 7.8 m -109.84 106.81 16.55 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.301 -0.874 . . . . 0.0 109.273 -179.704 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 23.6 t80 -110.64 145.33 38.11 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 120.977 -1.077 . . . . 0.0 110.243 -179.547 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.403 ' O ' ' CG ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -101.68 127.68 48.32 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.22 -0.925 . . . . 0.0 110.113 179.918 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.409 ' O ' ' N ' ' A' ' 20' ' ' NH2 . 7.7 tttp -88.16 19.98 3.43 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.264 -0.898 . . . . 0.0 110.205 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.486 ' HA ' ' CB ' ' A' ' 4' ' ' CYS . 0.8 OUTLIER -45.14 120.95 2.62 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.278 -0.889 . . . . 0.0 110.16 179.939 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.441 ' HB2' ' O ' ' A' ' 18' ' ' CYS . 12.2 mtm-85 55.64 23.32 6.04 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.255 -0.903 . . . . 0.0 110.198 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . 0.409 ' N ' ' O ' ' A' ' 17' ' ' LYS . . . . . . . . 0 C--N 1.306 -1.318 0 O-C-N 119.848 -1.782 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.461 ' HG2' ' NH2' ' A' ' 1' ' ' ARG . 3.2 tpt180 . . . . . 0 N--CA 1.492 1.648 0 CA-C-O 121.225 0.536 . . . . 0.0 110.228 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 20.2 ptt180 -160.29 113.81 2.13 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.251 -0.905 . . . . 0.0 110.337 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 2.9 m0 -116.25 57.04 0.77 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.297 -0.877 . . . . 0.0 109.989 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.437 ' O ' ' CB ' ' A' ' 5' ' ' PHE . 1.7 t -66.82 -177.34 0.59 Allowed 'General case' 0 C--N 1.298 -1.644 0 O-C-N 121.597 -0.689 . . . . 0.0 110.36 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.659 ' O ' HG13 ' A' ' 7' ' ' VAL . 0.1 OUTLIER 172.44 80.79 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.317 -0.864 . . . . 0.0 109.604 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.528 ' O ' ' CG ' ' A' ' 6' ' ' ARG . 0.1 OUTLIER -41.09 94.16 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.472 -0.767 . . . . 0.0 110.562 -179.485 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.659 HG13 ' O ' ' A' ' 5' ' ' PHE . 23.5 m -82.45 129.94 36.61 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.401 0 O-C-N 121.199 -0.938 . . . . 0.0 110.278 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.614 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 17.0 m -112.03 150.72 30.24 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.433 -0.792 . . . . 0.0 110.487 -179.849 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.419 ' HB2' ' O ' ' A' ' 13' ' ' PHE . 2.3 m-85 -99.51 43.86 1.04 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.268 -0.895 . . . . 0.0 109.977 179.748 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 9' ' ' TYR . 12.0 mtt180 41.91 89.76 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.47 -0.769 . . . . 0.0 110.373 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.491 ' O ' ' CB ' ' A' ' 12' ' ' ARG . . . 144.21 -49.77 0.68 Allowed Glycine 0 N--CA 1.49 2.29 0 N-CA-C 109.518 -1.433 . . . . 0.0 109.518 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.491 ' CB ' ' O ' ' A' ' 11' ' ' GLY . 0.0 OUTLIER 169.83 -36.91 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.262 -1.14 . . . . 0.0 109.749 -180.0 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.419 ' O ' ' HB2' ' A' ' 9' ' ' TYR . 3.1 m-85 -59.96 82.63 0.01 OUTLIER 'General case' 0 C--N 1.299 -1.619 0 O-C-N 121.582 -0.699 . . . . 0.0 110.017 179.793 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.614 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 50.2 t -130.96 136.17 48.31 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.376 -0.828 . . . . 0.0 109.28 179.831 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.498 ' CE2' ' CG2' ' A' ' 7' ' ' VAL . 12.5 p90 -140.99 162.29 35.82 Favored 'General case' 0 C--N 1.3 -1.559 0 C-N-CA 119.124 -1.03 . . . . 0.0 110.62 -179.729 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.447 ' HA ' ' HA ' ' A' ' 6' ' ' ARG . 5.5 ptp180 -77.55 120.25 22.26 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.282 -0.886 . . . . 0.0 110.327 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.16 39.98 1.03 Allowed 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.272 -0.892 . . . . 0.0 110.125 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.411 ' O ' ' C ' ' A' ' 19' ' ' ARG . 1.7 m -51.78 136.12 28.32 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.272 -0.892 . . . . 0.0 110.265 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.463 ' C ' ' CD ' ' A' ' 19' ' ' ARG . 0.3 OUTLIER -42.33 161.39 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.287 -0.883 . . . . 0.0 110.286 179.94 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.369 0 O-C-N 119.886 -1.759 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 9.4 ptp85 . . . . . 0 N--CA 1.491 1.606 0 CA-C-O 121.302 0.572 . . . . 0.0 110.266 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.451 ' CG ' ' O ' ' A' ' 2' ' ' ARG . 0.0 OUTLIER -78.02 115.99 18.17 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.206 -0.934 . . . . 0.0 110.233 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.463 ' O ' ' O ' ' A' ' 4' ' ' CYS . 4.6 m95 -102.49 56.17 0.78 Allowed 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.249 -0.907 . . . . 0.0 110.095 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.463 ' O ' ' O ' ' A' ' 3' ' ' TRP . 69.1 m -47.65 176.96 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.57 -0.706 . . . . 0.0 110.137 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.52 ' O ' ' N ' ' A' ' 7' ' ' VAL . 3.0 t80 -179.95 79.37 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.227 -0.921 . . . . 0.0 109.66 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.513 ' HA ' ' O ' ' A' ' 15' ' ' TYR . 0.1 OUTLIER -50.41 89.87 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.401 -0.812 . . . . 0.0 110.213 -179.645 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.537 ' O ' ' HA ' ' A' ' 14' ' ' CYS . 16.8 m -74.05 129.16 36.59 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 O-C-N 121.239 -0.913 . . . . 0.0 110.258 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.595 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 15.0 m -117.55 146.38 43.62 Favored 'General case' 0 C--N 1.305 -1.361 0 O-C-N 121.523 -0.735 . . . . 0.0 110.348 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.422 ' O ' ' C ' ' A' ' 10' ' ' ARG . 0.3 OUTLIER -95.29 43.52 1.09 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.232 -0.917 . . . . 0.0 110.114 179.849 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.422 ' C ' ' O ' ' A' ' 9' ' ' TYR . 27.0 mtt-85 41.92 89.83 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.404 -0.81 . . . . 0.0 110.342 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.483 ' O ' ' CB ' ' A' ' 12' ' ' ARG . . . 144.78 -49.7 0.67 Allowed Glycine 0 N--CA 1.49 2.261 0 N-CA-C 109.615 -1.394 . . . . 0.0 109.615 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.483 ' CB ' ' O ' ' A' ' 11' ' ' GLY . 0.0 OUTLIER 169.8 -36.58 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.211 -1.17 . . . . 0.0 109.79 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.401 ' O ' ' HB2' ' A' ' 9' ' ' TYR . 46.6 m-85 -61.31 82.91 0.01 OUTLIER 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.505 -0.747 . . . . 0.0 109.967 179.771 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.595 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 53.9 t -130.68 140.68 50.38 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.396 -0.815 . . . . 0.0 109.501 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.513 ' O ' ' HA ' ' A' ' 6' ' ' ARG . 11.0 t80 -133.65 166.92 21.48 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.154 -0.966 . . . . 0.0 110.43 -179.731 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.473 ' CG ' ' O ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -108.63 94.97 5.34 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.266 -0.896 . . . . 0.0 110.132 179.895 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 42.8 mttt -79.6 50.03 1.09 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.225 -0.922 . . . . 0.0 110.285 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.41 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 1.3 m -50.97 143.65 9.93 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.249 -0.907 . . . . 0.0 110.173 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 15.6 ttt85 -124.08 2.34 8.61 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.245 -0.909 . . . . 0.0 110.26 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.368 0 O-C-N 119.907 -1.746 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 7.3 t . . . . . 0 N--CA 1.491 1.61 0 CA-C-O 121.179 0.514 . . . . 0.0 110.037 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.588 ' CD2' HG13 ' A' ' 7' ' ' VAL . 19.3 p90 -172.75 77.22 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.139 -0.976 . . . . 0.0 109.629 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.516 ' HA ' ' O ' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -43.63 100.31 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.468 -0.77 . . . . 0.0 110.286 -179.494 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.588 HG13 ' CD2' ' A' ' 5' ' ' PHE . 19.9 m -78.61 130.03 36.73 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.449 0 O-C-N 121.282 -0.886 . . . . 0.0 110.359 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.539 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 0.1 OUTLIER -99.18 143.82 29.01 Favored 'General case' 0 C--N 1.305 -1.344 0 O-C-N 121.275 -0.891 . . . . 0.0 110.428 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.527 ' HB2' ' CB ' ' A' ' 13' ' ' PHE . 0.1 OUTLIER -90.49 41.8 1.07 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.215 -0.928 . . . . 0.0 109.73 179.46 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 48.74 82.51 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.51 -0.744 . . . . 0.0 110.644 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.503 ' O ' ' CG ' ' A' ' 12' ' ' ARG . . . 147.23 -45.81 0.75 Allowed Glycine 0 N--CA 1.491 2.356 0 N-CA-C 109.756 -1.338 . . . . 0.0 109.756 179.668 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.52 ' O ' ' N ' ' A' ' 14' ' ' CYS . 0.0 OUTLIER 170.84 -38.58 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.289 -1.124 . . . . 0.0 109.548 -179.896 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.527 ' CB ' ' HB2' ' A' ' 9' ' ' TYR . 10.0 m-85 -50.53 90.82 0.0 OUTLIER 'General case' 0 C--N 1.299 -1.62 0 CA-C-O 121.546 0.689 . . . . 0.0 109.406 179.468 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.539 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 0.1 OUTLIER -116.97 112.97 21.72 Favored 'General case' 0 C--N 1.298 -1.646 0 O-C-N 121.566 -0.709 . . . . 0.0 109.436 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.516 ' O ' ' HA ' ' A' ' 6' ' ' ARG . 18.2 t80 -111.44 146.18 37.66 Favored 'General case' 0 N--CA 1.489 1.524 0 C-N-CA 119.236 -0.986 . . . . 0.0 110.406 -179.525 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.44 ' O ' ' HG2' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -101.62 120.03 39.69 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.323 -0.861 . . . . 0.0 110.319 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.7 tptp . . . . . 0 N--CA 1.491 1.615 0 O-C-N 121.279 -0.888 . . . . 0.0 110.024 179.816 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.437 ' O ' ' HB2' ' A' ' 5' ' ' PHE . 0.1 OUTLIER . . . . . 0 N--CA 1.501 2.08 0 CA-C-O 121.301 0.572 . . . . 0.0 110.318 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.59 ' O ' HG13 ' A' ' 7' ' ' VAL . 0.2 OUTLIER 174.41 78.32 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.186 -0.946 . . . . 0.0 109.739 -179.826 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.521 ' CG ' ' O ' ' A' ' 6' ' ' ARG . 0.0 OUTLIER -47.66 96.47 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.423 -0.798 . . . . 0.0 110.423 -179.6 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.59 HG13 ' O ' ' A' ' 5' ' ' PHE . 25.6 m -82.65 129.75 36.92 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.367 0 O-C-N 121.146 -0.971 . . . . 0.0 110.154 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.534 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 63.7 m -91.49 142.24 27.87 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.261 -0.899 . . . . 0.0 110.424 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.452 ' HB3' ' HB2' ' A' ' 13' ' ' PHE . 1.1 t80 -88.91 43.18 1.13 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.278 -0.888 . . . . 0.0 110.304 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 10.4 ttt-85 50.55 95.42 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.383 -0.823 . . . . 0.0 110.597 179.612 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.439 ' O ' ' HB2' ' A' ' 12' ' ' ARG . . . 135.1 -50.64 0.85 Allowed Glycine 0 N--CA 1.491 2.327 0 N-CA-C 109.717 -1.353 . . . . 0.0 109.717 179.729 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.534 ' O ' ' N ' ' A' ' 14' ' ' CYS . 0.0 OUTLIER 173.86 -37.64 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.314 -1.109 . . . . 0.0 109.736 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.469 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 9.4 m-85 -48.32 89.12 0.0 OUTLIER 'General case' 0 C--N 1.301 -1.523 0 CA-C-O 121.551 0.691 . . . . 0.0 110.037 179.782 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.534 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 85.2 m -115.63 99.96 7.7 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.524 -0.735 . . . . 0.0 109.327 179.717 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.51 ' O ' ' HA ' ' A' ' 6' ' ' ARG . 42.2 t80 -113.35 160.83 17.96 Favored 'General case' 0 C--N 1.301 -1.513 0 C-N-CA 119.343 -0.943 . . . . 0.0 110.453 -179.562 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.429 ' HA ' ' HA ' ' A' ' 6' ' ' ARG . 59.7 mtt180 -97.4 84.87 3.52 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.307 -0.871 . . . . 0.0 110.436 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.524 ' HD2' HG21 ' A' ' 7' ' ' VAL . 41.6 mttm . . . . . 0 N--CA 1.492 1.631 0 O-C-N 121.267 -0.895 . . . . 0.0 109.95 179.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 60.5 m . . . . . 0 N--CA 1.492 1.637 0 CA-C-O 121.263 0.554 . . . . 0.0 110.27 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.648 ' O ' HG23 ' A' ' 7' ' ' VAL . 0.1 OUTLIER -173.79 76.54 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.226 -0.921 . . . . 0.0 109.616 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.2 ttp180 -48.38 114.86 1.04 Allowed 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.458 -0.776 . . . . 0.0 110.342 -179.553 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.648 HG23 ' O ' ' A' ' 5' ' ' PHE . 3.1 t -110.02 171.24 2.87 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.313 -0.867 . . . . 0.0 110.027 179.819 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.512 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 38.7 m -153.07 134.89 14.61 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.503 -0.748 . . . . 0.0 110.423 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.509 ' HB2' ' HB3' ' A' ' 13' ' ' PHE . 1.9 t80 -86.29 43.46 1.06 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.159 -0.963 . . . . 0.0 109.907 179.682 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.41 ' C ' ' O ' ' A' ' 9' ' ' TYR . 9.2 ttt180 42.7 85.53 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.449 -0.782 . . . . 0.0 110.417 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.436 ' O ' ' CB ' ' A' ' 12' ' ' ARG . . . 148.97 -46.7 0.66 Allowed Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.774 -1.33 . . . . 0.0 109.774 179.796 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.518 ' O ' ' N ' ' A' ' 14' ' ' CYS . 0.0 OUTLIER 171.18 -37.61 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.212 -1.169 . . . . 0.0 109.673 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.509 ' HB3' ' HB2' ' A' ' 9' ' ' TYR . 0.2 OUTLIER -53.91 87.61 0.0 OUTLIER 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.597 -0.69 . . . . 0.0 109.649 179.614 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.518 ' N ' ' O ' ' A' ' 12' ' ' ARG . 80.8 m -114.73 101.22 8.87 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.516 -0.74 . . . . 0.0 109.686 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.52 ' O ' ' CG ' ' A' ' 15' ' ' TYR . 3.1 p90 -107.05 126.52 52.44 Favored 'General case' 0 C--N 1.302 -1.461 0 C-N-CA 119.407 -0.917 . . . . 0.0 110.479 -179.678 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.3 mtt85 -73.73 128.45 35.55 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.241 -0.912 . . . . 0.0 110.148 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.7 ttmt . . . . . 0 N--CA 1.492 1.663 0 O-C-N 121.212 -0.93 . . . . 0.0 110.231 -179.944 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.501 2.087 0 CA-C-O 121.301 0.572 . . . . 0.0 110.041 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.522 ' O ' ' N ' ' A' ' 7' ' ' VAL . 0.1 OUTLIER -179.7 80.57 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.325 -0.859 . . . . 0.0 109.625 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.446 ' HA ' ' HA ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -50.69 88.69 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.454 -0.779 . . . . 0.0 110.383 -179.563 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.549 ' O ' ' HA ' ' A' ' 14' ' ' CYS . 12.5 m -67.07 128.67 30.7 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.392 0 O-C-N 121.149 -0.969 . . . . 0.0 109.986 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.602 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 14.4 m -116.84 147.29 42.27 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.535 -0.728 . . . . 0.0 110.541 -179.582 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.459 ' HB2' ' O ' ' A' ' 13' ' ' PHE . 0.4 OUTLIER -95.43 43.22 1.09 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.253 -0.904 . . . . 0.0 109.967 179.688 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.415 ' C ' ' O ' ' A' ' 9' ' ' TYR . 18.4 mtm180 42.42 90.35 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.41 -0.807 . . . . 0.0 110.22 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.459 ' O ' ' CB ' ' A' ' 12' ' ' ARG . . . 144.06 -49.99 0.68 Allowed Glycine 0 N--CA 1.491 2.3 0 N-CA-C 109.576 -1.41 . . . . 0.0 109.576 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.467 ' O ' ' N ' ' A' ' 14' ' ' CYS . 0.0 OUTLIER 169.91 -36.95 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.228 -1.16 . . . . 0.0 109.742 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.459 ' O ' ' HB2' ' A' ' 9' ' ' TYR . 0.7 OUTLIER -60.2 83.2 0.01 OUTLIER 'General case' 0 C--N 1.298 -1.646 0 O-C-N 121.62 -0.675 . . . . 0.0 109.823 179.695 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.602 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 52.7 t -130.89 137.8 49.51 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.403 -0.811 . . . . 0.0 109.613 -179.837 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 47.5 t80 -135.15 162.58 32.12 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.14 -0.975 . . . . 0.0 110.466 -179.682 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.446 ' HA ' ' HA ' ' A' ' 6' ' ' ARG . 4.3 mtm180 -90.3 82.04 6.01 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.283 -0.885 . . . . 0.0 110.242 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.541 ' CD ' HG21 ' A' ' 7' ' ' VAL . 13.5 mtpt . . . . . 0 N--CA 1.492 1.631 0 O-C-N 121.209 -0.932 . . . . 0.0 110.219 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.408 ' O ' ' HB2' ' A' ' 5' ' ' PHE . 79.4 m . . . . . 0 N--CA 1.491 1.605 0 CA-C-O 121.252 0.548 . . . . 0.0 110.217 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.523 ' O ' ' N ' ' A' ' 7' ' ' VAL . 0.1 OUTLIER 176.12 79.63 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.315 -0.866 . . . . 0.0 109.557 -179.899 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.469 ' HA ' ' O ' ' A' ' 15' ' ' TYR . 2.9 ttt-85 -43.75 93.19 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.426 -0.796 . . . . 0.0 110.476 -179.504 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.546 ' O ' ' HA ' ' A' ' 14' ' ' CYS . 16.0 m -72.2 129.52 35.58 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.399 0 O-C-N 121.266 -0.896 . . . . 0.0 109.933 179.758 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.607 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 34.4 m -112.07 146.88 37.16 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.463 -0.773 . . . . 0.0 110.607 -179.74 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.47 ' N ' ' O ' ' A' ' 13' ' ' PHE . 2.3 t80 -93.95 41.07 1.08 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.3 -0.875 . . . . 0.0 109.887 179.762 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.9 ttm-85 44.45 91.32 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.416 -0.803 . . . . 0.0 110.215 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.431 ' O ' ' HB2' ' A' ' 12' ' ' ARG . . . 140.17 -50.81 0.75 Allowed Glycine 0 N--CA 1.49 2.266 0 N-CA-C 109.577 -1.409 . . . . 0.0 109.577 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.484 ' O ' ' N ' ' A' ' 14' ' ' CYS . 0.3 OUTLIER 173.59 -38.52 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.286 -1.126 . . . . 0.0 109.846 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.47 ' O ' ' N ' ' A' ' 9' ' ' TYR . 4.6 m-85 -58.43 83.61 0.01 OUTLIER 'General case' 0 C--N 1.299 -1.619 0 O-C-N 121.632 -0.667 . . . . 0.0 110.075 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.607 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 47.6 t -130.29 140.08 50.69 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.373 -0.83 . . . . 0.0 109.38 179.8 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.469 ' O ' ' HA ' ' A' ' 6' ' ' ARG . 43.1 t80 -138.96 162.7 34.24 Favored 'General case' 0 C--N 1.301 -1.52 0 C-N-CA 119.245 -0.982 . . . . 0.0 110.646 -179.592 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.439 ' HA ' ' HA ' ' A' ' 6' ' ' ARG . 2.7 ptt180 -98.42 128.05 44.63 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.33 -0.856 . . . . 0.0 110.091 179.816 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.493 1.683 0 O-C-N 121.266 -0.896 . . . . 0.0 110.371 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.473 ' O ' ' CD2' ' A' ' 5' ' ' PHE . 49.0 t . . . . . 0 N--CA 1.491 1.585 0 CA-C-O 121.145 0.498 . . . . 0.0 110.203 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.583 ' O ' HG13 ' A' ' 7' ' ' VAL . 0.2 OUTLIER 173.52 80.44 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.132 -0.98 . . . . 0.0 109.767 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.466 ' HA ' ' HA ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -43.35 97.63 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.422 -0.799 . . . . 0.0 110.396 -179.563 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.583 HG13 ' O ' ' A' ' 5' ' ' PHE . 25.7 m -82.83 129.0 38.18 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.389 0 O-C-N 121.338 -0.851 . . . . 0.0 110.16 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.626 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 18.2 m -110.89 154.53 23.92 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.469 -0.769 . . . . 0.0 110.502 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.48 ' HB2' ' O ' ' A' ' 13' ' ' PHE . 0.2 OUTLIER -103.64 43.86 1.06 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.257 -0.902 . . . . 0.0 109.881 179.633 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' A' ' 9' ' ' TYR . 0.4 OUTLIER 42.35 88.2 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.449 -0.782 . . . . 0.0 110.368 -179.92 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.505 ' O ' ' CB ' ' A' ' 12' ' ' ARG . . . 144.97 -48.7 0.7 Allowed Glycine 0 N--CA 1.489 2.224 0 N-CA-C 109.612 -1.395 . . . . 0.0 109.612 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.505 ' CB ' ' O ' ' A' ' 11' ' ' GLY . 0.0 OUTLIER 168.74 -36.23 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.237 -1.155 . . . . 0.0 109.776 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.48 ' O ' ' HB2' ' A' ' 9' ' ' TYR . 34.3 m-85 -59.43 81.14 0.01 OUTLIER 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.636 -0.665 . . . . 0.0 110.117 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.626 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 42.5 t -129.7 138.36 51.11 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.234 -0.916 . . . . 0.0 109.275 179.635 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.464 ' CD1' ' N ' ' A' ' 16' ' ' ARG . 47.4 t80 -137.23 158.8 43.62 Favored 'General case' 0 C--N 1.3 -1.554 0 C-N-CA 119.219 -0.992 . . . . 0.0 110.72 -179.346 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.466 ' HA ' ' HA ' ' A' ' 6' ' ' ARG . 2.6 ptt180 -96.89 69.92 2.43 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.319 -0.863 . . . . 0.0 109.872 179.616 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.492 1.631 0 O-C-N 121.366 -0.834 . . . . 0.0 110.094 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 5.5 t . . . . . 0 N--CA 1.492 1.655 0 CA-C-O 121.218 0.532 . . . . 0.0 110.074 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.402 ' O ' HG13 ' A' ' 7' ' ' VAL . 0.1 OUTLIER -178.88 77.51 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.241 -0.912 . . . . 0.0 109.678 179.927 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -58.93 92.13 0.02 OUTLIER 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.458 -0.777 . . . . 0.0 110.258 -179.655 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.444 ' H ' HG22 ' A' ' 7' ' ' VAL . 14.2 m -103.35 130.3 53.86 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.346 0 O-C-N 121.284 -0.885 . . . . 0.0 109.99 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.54 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 6.1 t -110.55 156.88 20.3 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 121.167 -0.958 . . . . 0.0 110.966 -179.808 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -86.72 42.07 0.99 Allowed 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.541 -0.724 . . . . 0.0 109.53 179.117 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.7 ttt85 43.13 84.24 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.529 -0.732 . . . . 0.0 110.559 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.474 ' O ' ' CB ' ' A' ' 12' ' ' ARG . . . 161.48 -48.95 0.36 Allowed Glycine 0 N--CA 1.491 2.347 0 N-CA-C 109.871 -1.292 . . . . 0.0 109.871 179.649 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.474 ' CB ' ' O ' ' A' ' 11' ' ' GLY . 2.4 mtt180 169.59 -37.49 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.202 -1.175 . . . . 0.0 109.626 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.425 ' C ' ' SG ' ' A' ' 8' ' ' CYS . 2.3 m-85 -63.02 83.55 0.02 OUTLIER 'General case' 0 C--N 1.298 -1.642 0 O-C-N 121.588 -0.695 . . . . 0.0 109.254 179.364 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.54 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 10.3 m -108.46 111.75 23.8 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.446 -0.784 . . . . 0.0 109.161 -179.704 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.42 ' CZ ' ' O ' ' A' ' 16' ' ' ARG . 27.5 t80 -107.96 154.04 22.2 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 120.907 -1.12 . . . . 0.0 110.13 -179.569 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.42 ' O ' ' CZ ' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -105.23 131.35 52.81 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.204 -0.935 . . . . 0.0 110.147 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.595 0 O-C-N 121.21 -0.931 . . . . 0.0 110.257 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.419 ' O ' ' CG ' ' A' ' 5' ' ' PHE . 57.7 m . . . . . 0 N--CA 1.492 1.626 0 CA-C-O 121.272 0.558 . . . . 0.0 110.321 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.547 ' HB2' ' CG ' ' A' ' 17' ' ' LYS . 0.2 OUTLIER 179.04 78.6 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.296 -0.877 . . . . 0.0 109.586 179.948 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.508 ' CG ' ' O ' ' A' ' 6' ' ' ARG . 0.0 OUTLIER -41.73 94.56 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.5 -0.75 . . . . 0.0 110.497 -179.552 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.498 ' N ' ' O ' ' A' ' 5' ' ' PHE . 2.7 t -77.13 170.26 1.55 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 O-C-N 121.264 -0.897 . . . . 0.0 109.945 179.76 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.524 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 34.8 m -154.28 134.76 13.44 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.393 -0.817 . . . . 0.0 110.519 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.46 ' HB2' ' HB3' ' A' ' 13' ' ' PHE . 1.6 t80 -86.66 42.95 1.04 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.151 -0.968 . . . . 0.0 109.889 179.527 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.443 ' O ' ' HG2' ' A' ' 10' ' ' ARG . 14.1 ttp180 42.27 83.21 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.446 -0.784 . . . . 0.0 110.469 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.465 ' O ' ' CB ' ' A' ' 12' ' ' ARG . . . 151.82 -45.94 0.61 Allowed Glycine 0 N--CA 1.491 2.317 0 N-CA-C 109.751 -1.34 . . . . 0.0 109.751 179.716 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.516 ' O ' ' N ' ' A' ' 14' ' ' CYS . 0.0 OUTLIER 171.1 -38.05 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.222 -1.163 . . . . 0.0 109.555 -179.864 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.46 ' HB3' ' HB2' ' A' ' 9' ' ' TYR . 0.4 OUTLIER -54.3 87.77 0.01 OUTLIER 'General case' 0 C--N 1.299 -1.609 0 CA-C-O 121.48 0.657 . . . . 0.0 109.627 179.523 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.524 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 69.5 m -115.26 102.36 9.8 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 121.531 -0.731 . . . . 0.0 109.689 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.571 ' CG ' ' O ' ' A' ' 15' ' ' TYR . 2.4 p90 -109.0 121.85 46.02 Favored 'General case' 0 C--N 1.301 -1.505 0 C-N-CA 119.39 -0.924 . . . . 0.0 110.33 -179.708 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -58.61 125.24 22.57 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.21 -0.931 . . . . 0.0 110.21 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.547 ' CG ' ' HB2' ' A' ' 5' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.621 0 O-C-N 121.273 -0.892 . . . . 0.0 110.236 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.5 t . . . . . 0 N--CA 1.491 1.607 0 CA-C-O 121.217 0.532 . . . . 0.0 110.064 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.635 ' CD2' ' CG2' ' A' ' 7' ' ' VAL . 6.1 p90 -174.73 78.37 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.186 -0.946 . . . . 0.0 109.558 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.516 ' HA ' ' O ' ' A' ' 15' ' ' TYR . 3.8 ttt180 -52.01 97.65 0.02 OUTLIER 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.569 -0.707 . . . . 0.0 110.658 -179.339 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.635 ' CG2' ' CD2' ' A' ' 5' ' ' PHE . 2.5 t -87.76 164.91 2.2 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 121.278 -0.889 . . . . 0.0 109.718 179.517 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.578 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 5.4 t -151.63 154.42 36.36 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.235 -0.916 . . . . 0.0 111.098 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.4 ' C ' ' HD3' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -86.15 42.69 1.0 Allowed 'General case' 0 N--CA 1.49 1.558 0 CA-C-O 121.536 0.684 . . . . 0.0 109.396 179.033 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.521 ' HD3' ' N ' ' A' ' 10' ' ' ARG . 2.6 mpp_? 42.28 84.08 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.497 -0.752 . . . . 0.0 110.24 -179.71 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.47 ' O ' ' CB ' ' A' ' 12' ' ' ARG . . . 163.52 -49.31 0.31 Allowed Glycine 0 N--CA 1.491 2.343 0 N-CA-C 109.917 -1.273 . . . . 0.0 109.917 179.794 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.47 ' CB ' ' O ' ' A' ' 11' ' ' GLY . 0.2 OUTLIER 169.69 -37.77 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.271 -1.135 . . . . 0.0 109.626 -179.862 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.421 ' C ' ' SG ' ' A' ' 8' ' ' CYS . 10.4 m-85 -64.66 85.9 0.05 OUTLIER 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.593 -0.692 . . . . 0.0 109.239 179.351 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.578 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 7.8 m -109.83 136.53 49.0 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.427 -0.796 . . . . 0.0 108.871 -179.745 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.516 ' O ' ' HA ' ' A' ' 6' ' ' ARG . 18.7 t80 -119.32 147.28 44.49 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 120.831 -1.168 . . . . 0.0 110.53 -179.72 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.431 ' HA ' ' HA ' ' A' ' 6' ' ' ARG . 7.5 mtm180 -109.99 98.47 7.76 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.33 -0.856 . . . . 0.0 110.133 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.558 ' HB2' ' CZ ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.619 0 O-C-N 121.286 -0.884 . . . . 0.0 110.192 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 2.3 t . . . . . 0 N--CA 1.491 1.622 0 CA-C-O 121.207 0.527 . . . . 0.0 110.118 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 1.03 ' O ' HG23 ' A' ' 7' ' ' VAL . 0.1 OUTLIER -178.09 81.37 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.179 -0.951 . . . . 0.0 109.488 179.902 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 15.9 ttm-85 -55.41 107.98 0.38 Allowed 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.345 -0.847 . . . . 0.0 110.373 -179.46 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 1.03 HG23 ' O ' ' A' ' 5' ' ' PHE . 4.5 t -124.16 167.93 17.42 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.229 -0.92 . . . . 0.0 109.987 179.689 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.56 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 14.6 t -153.43 157.85 40.53 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.375 -0.828 . . . . 0.0 110.884 179.716 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.427 ' O ' ' C ' ' A' ' 10' ' ' ARG . 5.5 t80 -86.87 42.12 1.0 Allowed 'General case' 0 C--N 1.3 -1.554 0 C-N-CA 120.029 -0.669 . . . . 0.0 109.415 179.014 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.427 ' C ' ' O ' ' A' ' 9' ' ' TYR . 10.4 ttm180 40.43 81.4 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.641 -0.662 . . . . 0.0 110.458 -179.685 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.41 ' O ' ' CB ' ' A' ' 12' ' ' ARG . . . 160.99 -47.36 0.38 Allowed Glycine 0 N--CA 1.491 2.365 0 C-N-CA 119.537 -1.316 . . . . 0.0 110.108 179.77 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.512 ' O ' ' N ' ' A' ' 14' ' ' CYS . 0.9 OUTLIER 175.18 -39.8 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.143 -1.21 . . . . 0.0 109.71 -179.827 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.441 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 10.9 m-30 -61.36 79.85 0.01 OUTLIER 'General case' 0 C--N 1.298 -1.646 0 C-N-CA 119.897 -0.721 . . . . 0.0 109.382 179.448 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.56 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 6.9 m -110.15 99.41 8.48 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.346 -0.846 . . . . 0.0 109.123 -179.726 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -111.33 135.6 51.64 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.083 -1.011 . . . . 0.0 110.493 -179.377 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.8 mtt180 -72.56 135.24 45.53 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.256 -0.903 . . . . 0.0 110.09 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.491 1.602 0 O-C-N 121.249 -0.907 . . . . 0.0 110.278 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.433 ' O ' ' HB2' ' A' ' 5' ' ' PHE . 75.7 m . . . . . 0 N--CA 1.491 1.611 0 CA-C-O 121.266 0.555 . . . . 0.0 110.403 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.52 ' O ' ' N ' ' A' ' 7' ' ' VAL . 0.9 OUTLIER 176.91 79.75 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.35 -0.844 . . . . 0.0 109.511 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.412 ' HA ' ' HA ' ' A' ' 16' ' ' ARG . 7.9 ttt180 -47.43 90.73 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.526 -0.734 . . . . 0.0 110.507 -179.408 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.52 ' N ' ' O ' ' A' ' 5' ' ' PHE . 3.0 t -70.34 172.42 0.91 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.688 0 O-C-N 121.287 -0.883 . . . . 0.0 109.971 179.695 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.536 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 39.9 m -149.11 140.56 23.32 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.529 -0.732 . . . . 0.0 110.469 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.403 ' CB ' ' HB2' ' A' ' 13' ' ' PHE . 0.7 OUTLIER -91.15 43.3 1.14 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.175 -0.953 . . . . 0.0 109.823 179.572 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.467 ' O ' ' HD2' ' A' ' 10' ' ' ARG . 0.5 OUTLIER 46.87 90.76 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.447 -0.783 . . . . 0.0 110.463 179.945 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.485 ' O ' ' HB2' ' A' ' 12' ' ' ARG . . . 142.23 -50.52 0.71 Allowed Glycine 0 N--CA 1.491 2.308 0 N-CA-C 109.703 -1.359 . . . . 0.0 109.703 179.818 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.533 ' O ' ' N ' ' A' ' 14' ' ' CYS . 0.2 OUTLIER 173.28 -38.7 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.402 -1.058 . . . . 0.0 109.55 179.941 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.403 ' HB2' ' CB ' ' A' ' 9' ' ' TYR . 13.0 m-85 -50.2 89.32 0.0 OUTLIER 'General case' 0 C--N 1.299 -1.61 0 CA-C-O 121.491 0.663 . . . . 0.0 109.676 179.577 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.536 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 95.7 m -117.64 119.47 35.09 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.529 -0.732 . . . . 0.0 109.618 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -115.14 130.37 56.91 Favored 'General case' 0 C--N 1.301 -1.508 0 C-N-CA 119.075 -1.05 . . . . 0.0 110.464 -179.829 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.431 ' CG ' ' O ' ' A' ' 16' ' ' ARG . 3.1 ptt180 -79.41 94.13 5.49 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.283 -0.885 . . . . 0.0 110.121 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.9 mtmt . . . . . 0 N--CA 1.492 1.663 0 O-C-N 121.262 -0.899 . . . . 0.0 110.229 -179.894 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 62.4 m . . . . . 0 N--CA 1.491 1.623 0 CA-C-O 121.23 0.538 . . . . 0.0 110.16 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.496 ' O ' ' N ' ' A' ' 7' ' ' VAL . 0.1 OUTLIER 177.69 78.73 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.271 -0.893 . . . . 0.0 109.742 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.448 ' HA ' ' HA ' ' A' ' 16' ' ' ARG . 14.8 ttp180 -51.29 89.37 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.408 -0.808 . . . . 0.0 110.351 -179.627 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.543 ' O ' ' HA ' ' A' ' 14' ' ' CYS . 16.5 m -72.98 128.82 36.04 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.438 0 O-C-N 121.166 -0.959 . . . . 0.0 110.063 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.599 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 13.5 m -118.57 146.33 44.68 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.476 -0.765 . . . . 0.0 110.375 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.432 ' O ' ' C ' ' A' ' 10' ' ' ARG . 0.3 OUTLIER -95.38 43.21 1.09 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.28 -0.888 . . . . 0.0 109.997 179.912 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.432 ' C ' ' O ' ' A' ' 9' ' ' TYR . 0.0 OUTLIER 41.22 89.17 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.519 -0.738 . . . . 0.0 110.344 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.489 ' O ' ' CB ' ' A' ' 12' ' ' ARG . . . 146.26 -49.21 0.65 Allowed Glycine 0 N--CA 1.49 2.241 0 N-CA-C 109.575 -1.41 . . . . 0.0 109.575 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.489 ' CB ' ' O ' ' A' ' 11' ' ' GLY . 0.0 OUTLIER 169.36 -36.41 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.284 -1.127 . . . . 0.0 109.822 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -62.59 83.03 0.02 OUTLIER 'General case' 0 C--N 1.299 -1.612 0 O-C-N 121.552 -0.717 . . . . 0.0 109.978 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.599 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 49.3 t -130.58 138.56 50.21 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.348 -0.845 . . . . 0.0 109.573 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.431 ' O ' ' HA ' ' A' ' 6' ' ' ARG . 10.5 t80 -132.42 163.92 27.67 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.159 -0.963 . . . . 0.0 110.482 -179.689 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.448 ' HA ' ' HA ' ' A' ' 6' ' ' ARG . 0.0 OUTLIER -99.21 118.13 35.23 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.309 -0.869 . . . . 0.0 110.252 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.603 0 O-C-N 121.253 -0.904 . . . . 0.0 110.182 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.446 ' O ' ' HB2' ' A' ' 5' ' ' PHE . 2.1 t . . . . . 0 N--CA 1.491 1.604 0 CA-C-O 121.236 0.541 . . . . 0.0 110.174 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.819 ' O ' HG23 ' A' ' 7' ' ' VAL . 0.3 OUTLIER -179.97 78.57 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.283 -0.886 . . . . 0.0 109.666 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.435 ' HA ' ' HA ' ' A' ' 16' ' ' ARG . 22.6 ttt180 -55.85 111.42 0.92 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.406 -0.809 . . . . 0.0 110.404 -179.487 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.819 HG23 ' O ' ' A' ' 5' ' ' PHE . 2.5 t -117.96 162.37 16.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 121.266 -0.896 . . . . 0.0 109.898 179.706 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.534 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 81.9 m -118.83 140.69 49.55 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.454 -0.779 . . . . 0.0 110.65 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -84.49 36.25 0.58 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.246 -0.909 . . . . 0.0 110.336 179.297 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 20.4 mtp180 45.32 95.85 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.45 -0.781 . . . . 0.0 111.27 179.445 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.549 ' O ' ' CB ' ' A' ' 12' ' ' ARG . . . 150.78 -57.24 0.45 Allowed Glycine 0 N--CA 1.49 2.268 0 N-CA-C 109.781 -1.328 . . . . 0.0 109.781 179.285 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.549 ' CB ' ' O ' ' A' ' 11' ' ' GLY . 0.1 OUTLIER 163.31 47.41 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.619 -0.93 . . . . 0.0 109.536 -179.799 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -152.58 95.38 2.01 Favored 'General case' 0 C--N 1.297 -1.69 0 O-C-N 121.573 -0.704 . . . . 0.0 109.915 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.539 ' HA ' ' O ' ' A' ' 7' ' ' VAL . 84.9 m -106.51 109.11 20.94 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.31 -0.869 . . . . 0.0 108.91 179.488 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -106.75 144.49 33.33 Favored 'General case' 0 C--N 1.302 -1.498 0 C-N-CA 118.939 -1.104 . . . . 0.0 110.353 -179.34 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.435 ' HA ' ' HA ' ' A' ' 6' ' ' ARG . 11.8 mtm180 -85.63 118.43 25.13 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.246 -0.909 . . . . 0.0 110.272 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.1 mmtt . . . . . 0 N--CA 1.49 1.546 0 O-C-N 121.247 -0.908 . . . . 0.0 110.151 179.906 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.459 ' O ' ' HB2' ' A' ' 5' ' ' PHE . 2.2 t . . . . . 0 N--CA 1.491 1.584 0 CA-C-O 121.248 0.547 . . . . 0.0 110.222 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.783 ' O ' HG13 ' A' ' 7' ' ' VAL . 2.8 t80 -178.94 76.5 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.301 -0.875 . . . . 0.0 109.782 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.513 ' CG ' ' O ' ' A' ' 6' ' ' ARG . 0.1 OUTLIER -44.38 96.33 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.417 -0.802 . . . . 0.0 110.249 -179.674 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.783 HG13 ' O ' ' A' ' 5' ' ' PHE . 24.7 m -90.99 130.64 39.85 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.336 0 O-C-N 121.284 -0.885 . . . . 0.0 110.124 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.496 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 74.1 m -92.18 136.99 32.74 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.184 -0.948 . . . . 0.0 110.692 -179.742 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 9.8 t80 -82.65 39.47 0.62 Allowed 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.26 -0.9 . . . . 0.0 110.338 179.292 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.1 mtt180 40.73 93.6 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.436 -0.79 . . . . 0.0 111.318 179.527 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.554 ' O ' ' CB ' ' A' ' 12' ' ' ARG . . . 153.48 -56.46 0.43 Allowed Glycine 0 N--CA 1.491 2.322 0 N-CA-C 109.879 -1.288 . . . . 0.0 109.879 179.19 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.554 ' CB ' ' O ' ' A' ' 11' ' ' GLY . 0.0 OUTLIER 162.43 48.5 0.0 OUTLIER 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.697 -0.884 . . . . 0.0 109.336 -179.67 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.538 ' CD2' ' O ' ' A' ' 12' ' ' ARG . 34.4 m-85 -153.36 95.31 1.91 Allowed 'General case' 0 C--N 1.296 -1.733 0 O-C-N 121.661 -0.65 . . . . 0.0 109.867 -179.835 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.496 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 81.3 m -107.58 102.19 11.46 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.275 -0.891 . . . . 0.0 109.42 179.812 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.602 ' CE2' ' CG2' ' A' ' 7' ' ' VAL . 2.3 p90 -101.31 147.41 26.34 Favored 'General case' 0 C--N 1.301 -1.528 0 C-N-CA 119.287 -0.965 . . . . 0.0 110.388 -179.397 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.522 ' CG ' ' O ' ' A' ' 16' ' ' ARG . 17.5 ptt180 -95.0 113.52 25.23 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.197 -0.939 . . . . 0.0 110.091 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 52.9 tttt . . . . . 0 N--CA 1.492 1.641 0 O-C-N 121.178 -0.951 . . . . 0.0 110.252 -179.937 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 11.0 t . . . . . 0 N--CA 1.49 1.568 0 CA-C-O 121.307 0.575 . . . . 0.0 110.38 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.46 ' O ' HG22 ' A' ' 7' ' ' VAL . 0.1 OUTLIER 176.06 77.34 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.337 -0.852 . . . . 0.0 109.534 179.94 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 8.3 ttp180 -57.73 94.18 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.458 -0.776 . . . . 0.0 110.365 -179.54 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.46 HG22 ' O ' ' A' ' 5' ' ' PHE . 4.1 m -113.6 130.85 66.92 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.345 0 O-C-N 121.266 -0.896 . . . . 0.0 109.838 179.821 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.542 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 10.1 t -110.62 159.11 17.87 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.082 -1.011 . . . . 0.0 110.985 -179.678 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.43 ' O ' ' C ' ' A' ' 10' ' ' ARG . 4.2 m-85 -86.45 42.31 0.99 Allowed 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.583 -0.698 . . . . 0.0 109.503 179.14 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.43 ' C ' ' O ' ' A' ' 9' ' ' TYR . 6.3 ttp180 40.7 82.0 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.555 -0.716 . . . . 0.0 110.486 -179.759 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.464 ' O ' ' CB ' ' A' ' 12' ' ' ARG . . . 160.6 -47.48 0.39 Allowed Glycine 0 N--CA 1.491 2.342 0 C-N-CA 119.596 -1.288 . . . . 0.0 110.065 179.747 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.464 ' CB ' ' O ' ' A' ' 11' ' ' GLY . 1.8 mtp180 172.09 -37.97 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.136 -1.214 . . . . 0.0 109.842 -179.851 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.424 ' C ' ' SG ' ' A' ' 8' ' ' CYS . 2.8 m-85 -62.12 82.04 0.02 OUTLIER 'General case' 0 C--N 1.298 -1.632 0 O-C-N 121.512 -0.743 . . . . 0.0 109.334 179.43 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.542 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 7.8 m -109.84 106.81 16.55 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.301 -0.874 . . . . 0.0 109.273 -179.704 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 23.6 t80 -110.64 145.33 38.11 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 120.977 -1.077 . . . . 0.0 110.243 -179.547 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.403 ' O ' ' CG ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -101.68 127.68 48.32 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.22 -0.925 . . . . 0.0 110.113 179.918 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.7 tttp . . . . . 0 N--CA 1.491 1.625 0 O-C-N 121.264 -0.898 . . . . 0.0 110.205 -179.952 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.437 ' O ' ' CB ' ' A' ' 5' ' ' PHE . 1.7 t . . . . . 0 N--CA 1.492 1.639 0 CA-C-O 121.264 0.554 . . . . 0.0 110.36 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.659 ' O ' HG13 ' A' ' 7' ' ' VAL . 0.1 OUTLIER 172.44 80.79 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.317 -0.864 . . . . 0.0 109.604 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.528 ' CG ' ' O ' ' A' ' 6' ' ' ARG . 0.1 OUTLIER -41.09 94.16 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.472 -0.767 . . . . 0.0 110.562 -179.485 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.659 HG13 ' O ' ' A' ' 5' ' ' PHE . 23.5 m -82.45 129.94 36.61 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.401 0 O-C-N 121.199 -0.938 . . . . 0.0 110.278 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.614 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 17.0 m -112.03 150.72 30.24 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.433 -0.792 . . . . 0.0 110.487 -179.849 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.419 ' HB2' ' O ' ' A' ' 13' ' ' PHE . 2.3 m-85 -99.51 43.86 1.04 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.268 -0.895 . . . . 0.0 109.977 179.748 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 9' ' ' TYR . 12.0 mtt180 41.91 89.76 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.47 -0.769 . . . . 0.0 110.373 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.491 ' O ' ' CB ' ' A' ' 12' ' ' ARG . . . 144.21 -49.77 0.68 Allowed Glycine 0 N--CA 1.49 2.29 0 N-CA-C 109.518 -1.433 . . . . 0.0 109.518 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.491 ' CB ' ' O ' ' A' ' 11' ' ' GLY . 0.0 OUTLIER 169.83 -36.91 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.262 -1.14 . . . . 0.0 109.749 -180.0 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.419 ' O ' ' HB2' ' A' ' 9' ' ' TYR . 3.1 m-85 -59.96 82.63 0.01 OUTLIER 'General case' 0 C--N 1.299 -1.619 0 O-C-N 121.582 -0.699 . . . . 0.0 110.017 179.793 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.614 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 50.2 t -130.96 136.17 48.31 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.376 -0.828 . . . . 0.0 109.28 179.831 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.498 ' CE2' ' CG2' ' A' ' 7' ' ' VAL . 12.5 p90 -140.99 162.29 35.82 Favored 'General case' 0 C--N 1.3 -1.559 0 C-N-CA 119.124 -1.03 . . . . 0.0 110.62 -179.729 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.447 ' HA ' ' HA ' ' A' ' 6' ' ' ARG . 5.5 ptp180 -77.55 120.25 22.26 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.282 -0.886 . . . . 0.0 110.327 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.544 0 O-C-N 121.272 -0.892 . . . . 0.0 110.125 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.456 ' O ' ' HB2' ' A' ' 5' ' ' PHE . 69.1 m . . . . . 0 N--CA 1.492 1.627 0 CA-C-O 121.211 0.529 . . . . 0.0 110.137 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.52 ' O ' ' N ' ' A' ' 7' ' ' VAL . 3.0 t80 -179.95 79.37 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.227 -0.921 . . . . 0.0 109.66 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.513 ' HA ' ' O ' ' A' ' 15' ' ' TYR . 0.1 OUTLIER -50.41 89.87 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.401 -0.812 . . . . 0.0 110.213 -179.645 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.537 ' O ' ' HA ' ' A' ' 14' ' ' CYS . 16.8 m -74.05 129.16 36.59 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 O-C-N 121.239 -0.913 . . . . 0.0 110.258 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.595 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 15.0 m -117.55 146.38 43.62 Favored 'General case' 0 C--N 1.305 -1.361 0 O-C-N 121.523 -0.735 . . . . 0.0 110.348 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.422 ' O ' ' C ' ' A' ' 10' ' ' ARG . 0.3 OUTLIER -95.29 43.52 1.09 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.232 -0.917 . . . . 0.0 110.114 179.849 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.422 ' C ' ' O ' ' A' ' 9' ' ' TYR . 27.0 mtt-85 41.92 89.83 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.404 -0.81 . . . . 0.0 110.342 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.483 ' O ' ' CB ' ' A' ' 12' ' ' ARG . . . 144.78 -49.7 0.67 Allowed Glycine 0 N--CA 1.49 2.261 0 N-CA-C 109.615 -1.394 . . . . 0.0 109.615 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.483 ' CB ' ' O ' ' A' ' 11' ' ' GLY . 0.0 OUTLIER 169.8 -36.58 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.211 -1.17 . . . . 0.0 109.79 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.401 ' O ' ' HB2' ' A' ' 9' ' ' TYR . 46.6 m-85 -61.31 82.91 0.01 OUTLIER 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.505 -0.747 . . . . 0.0 109.967 179.771 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.595 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 53.9 t -130.68 140.68 50.38 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.396 -0.815 . . . . 0.0 109.501 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.513 ' O ' ' HA ' ' A' ' 6' ' ' ARG . 11.0 t80 -133.65 166.92 21.48 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.154 -0.966 . . . . 0.0 110.43 -179.731 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.473 ' CG ' ' O ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -108.63 94.97 5.34 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.266 -0.896 . . . . 0.0 110.132 179.895 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 42.8 mttt . . . . . 0 N--CA 1.491 1.61 0 O-C-N 121.225 -0.922 . . . . 0.0 110.285 -179.916 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.541 ' O ' ' CG ' ' A' ' 2' ' ' ARG . 0.4 OUTLIER . . . . . 0 N--CA 1.492 1.654 0 CA-C-O 121.031 0.443 . . . . 0.0 110.227 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.541 ' CG ' ' O ' ' A' ' 1' ' ' ARG . 7.6 ptp85 37.81 -161.13 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.696 -0.627 . . . . 0.0 110.916 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.435 ' O ' ' O ' ' A' ' 4' ' ' CYS . 11.4 m0 42.75 65.96 0.85 Allowed 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.241 -0.912 . . . . 0.0 110.344 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.444 ' SG ' ' N ' ' A' ' 18' ' ' CYS . 7.3 t -48.39 176.33 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.386 -0.821 . . . . 0.0 110.037 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.588 ' CD2' HG13 ' A' ' 7' ' ' VAL . 19.3 p90 -172.75 77.22 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.139 -0.976 . . . . 0.0 109.629 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.516 ' HA ' ' O ' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -43.63 100.31 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.468 -0.77 . . . . 0.0 110.286 -179.494 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.588 HG13 ' CD2' ' A' ' 5' ' ' PHE . 19.9 m -78.61 130.03 36.73 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.449 0 O-C-N 121.282 -0.886 . . . . 0.0 110.359 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.539 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 0.1 OUTLIER -99.18 143.82 29.01 Favored 'General case' 0 C--N 1.305 -1.344 0 O-C-N 121.275 -0.891 . . . . 0.0 110.428 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.527 ' HB2' ' CB ' ' A' ' 13' ' ' PHE . 0.1 OUTLIER -90.49 41.8 1.07 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.215 -0.928 . . . . 0.0 109.73 179.46 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 48.74 82.51 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.51 -0.744 . . . . 0.0 110.644 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.503 ' O ' ' CG ' ' A' ' 12' ' ' ARG . . . 147.23 -45.81 0.75 Allowed Glycine 0 N--CA 1.491 2.356 0 N-CA-C 109.756 -1.338 . . . . 0.0 109.756 179.668 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.52 ' O ' ' N ' ' A' ' 14' ' ' CYS . 0.0 OUTLIER 170.84 -38.58 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.289 -1.124 . . . . 0.0 109.548 -179.896 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.527 ' CB ' ' HB2' ' A' ' 9' ' ' TYR . 10.0 m-85 -50.53 90.82 0.0 OUTLIER 'General case' 0 C--N 1.299 -1.62 0 CA-C-O 121.546 0.689 . . . . 0.0 109.406 179.468 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.539 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 0.1 OUTLIER -116.97 112.97 21.72 Favored 'General case' 0 C--N 1.298 -1.646 0 O-C-N 121.566 -0.709 . . . . 0.0 109.436 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.516 ' O ' ' HA ' ' A' ' 6' ' ' ARG . 18.2 t80 -111.44 146.18 37.66 Favored 'General case' 0 N--CA 1.489 1.524 0 C-N-CA 119.236 -0.986 . . . . 0.0 110.406 -179.525 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.44 ' O ' ' HG2' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -101.62 120.03 39.69 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.323 -0.861 . . . . 0.0 110.319 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.424 ' O ' ' N ' ' A' ' 20' ' ' NH2 . 1.7 tptp -107.91 45.14 1.03 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.279 -0.888 . . . . 0.0 110.024 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.444 ' N ' ' SG ' ' A' ' 4' ' ' CYS . 60.1 m -44.63 122.8 3.3 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.295 -0.878 . . . . 0.0 110.211 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.1 mtm180 55.12 22.59 4.66 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.239 -0.913 . . . . 0.0 110.181 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . 0.424 ' N ' ' O ' ' A' ' 17' ' ' LYS . . . . . . . . 0 C--N 1.305 -1.341 0 O-C-N 119.882 -1.762 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.443 ' O ' ' CB ' ' A' ' 2' ' ' ARG . 1.9 ptp180 . . . . . 0 N--CA 1.492 1.645 0 CA-C-O 121.201 0.525 . . . . 0.0 110.22 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.443 ' CB ' ' O ' ' A' ' 1' ' ' ARG . 0.0 OUTLIER 65.7 -148.82 0.22 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.281 -0.887 . . . . 0.0 110.246 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.465 ' O ' ' O ' ' A' ' 4' ' ' CYS . 0.0 OUTLIER 42.04 54.36 4.07 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.36 -0.837 . . . . 0.0 109.994 -179.887 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.495 ' HA ' ' HA ' ' A' ' 18' ' ' CYS . 0.1 OUTLIER 43.78 -170.65 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.08 0 O-C-N 121.706 -0.621 . . . . 0.0 110.318 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.59 ' O ' HG13 ' A' ' 7' ' ' VAL . 0.2 OUTLIER 174.41 78.32 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.186 -0.946 . . . . 0.0 109.739 -179.826 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.521 ' O ' ' CG ' ' A' ' 6' ' ' ARG . 0.0 OUTLIER -47.66 96.47 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.423 -0.798 . . . . 0.0 110.423 -179.6 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.59 HG13 ' O ' ' A' ' 5' ' ' PHE . 25.6 m -82.65 129.75 36.92 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.367 0 O-C-N 121.146 -0.971 . . . . 0.0 110.154 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.534 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 63.7 m -91.49 142.24 27.87 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.261 -0.899 . . . . 0.0 110.424 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.452 ' HB3' ' HB2' ' A' ' 13' ' ' PHE . 1.1 t80 -88.91 43.18 1.13 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.278 -0.888 . . . . 0.0 110.304 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 10.4 ttt-85 50.55 95.42 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.383 -0.823 . . . . 0.0 110.597 179.612 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.439 ' O ' ' HB2' ' A' ' 12' ' ' ARG . . . 135.1 -50.64 0.85 Allowed Glycine 0 N--CA 1.491 2.327 0 N-CA-C 109.717 -1.353 . . . . 0.0 109.717 179.729 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.534 ' O ' ' N ' ' A' ' 14' ' ' CYS . 0.0 OUTLIER 173.86 -37.64 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.314 -1.109 . . . . 0.0 109.736 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.469 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 9.4 m-85 -48.32 89.12 0.0 OUTLIER 'General case' 0 C--N 1.301 -1.523 0 CA-C-O 121.551 0.691 . . . . 0.0 110.037 179.782 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.534 ' N ' ' O ' ' A' ' 12' ' ' ARG . 85.2 m -115.63 99.96 7.7 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.524 -0.735 . . . . 0.0 109.327 179.717 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.51 ' O ' ' HA ' ' A' ' 6' ' ' ARG . 42.2 t80 -113.35 160.83 17.96 Favored 'General case' 0 C--N 1.301 -1.513 0 C-N-CA 119.343 -0.943 . . . . 0.0 110.453 -179.562 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.429 ' HA ' ' HA ' ' A' ' 6' ' ' ARG . 59.7 mtt180 -97.4 84.87 3.52 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.307 -0.871 . . . . 0.0 110.436 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.524 ' HD2' HG21 ' A' ' 7' ' ' VAL . 41.6 mttm -64.81 -42.56 94.89 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.267 -0.895 . . . . 0.0 109.95 179.73 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.495 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 0.1 OUTLIER 62.98 141.64 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.31 -0.869 . . . . 0.0 110.314 179.762 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.419 ' O ' ' O ' ' A' ' 18' ' ' CYS . 14.6 mmt180 -47.0 -94.2 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.253 -0.905 . . . . 0.0 110.211 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.356 0 O-C-N 119.881 -1.762 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 12.6 ptm180 . . . . . 0 N--CA 1.492 1.636 0 CA-C-O 121.265 0.555 . . . . 0.0 110.219 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.457 ' O ' ' C ' ' A' ' 3' ' ' TRP . 3.1 ttt180 -140.15 -70.8 0.39 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.168 -0.957 . . . . 0.0 110.285 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.457 ' C ' ' O ' ' A' ' 2' ' ' ARG . 0.0 OUTLIER 37.39 48.08 0.8 Allowed 'General case' 0 N--CA 1.499 1.996 0 CA-C-O 121.675 0.75 . . . . 0.0 110.349 -179.947 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.43 ' HA ' ' HA ' ' A' ' 18' ' ' CYS . 60.5 m -71.48 -173.65 0.95 Allowed 'General case' 0 C--N 1.296 -1.723 0 O-C-N 121.743 -0.598 . . . . 0.0 110.27 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.648 ' O ' HG23 ' A' ' 7' ' ' VAL . 0.1 OUTLIER -173.79 76.54 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.226 -0.921 . . . . 0.0 109.616 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.2 ttp180 -48.38 114.86 1.04 Allowed 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.458 -0.776 . . . . 0.0 110.342 -179.553 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.648 HG23 ' O ' ' A' ' 5' ' ' PHE . 3.1 t -110.02 171.24 2.87 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.313 -0.867 . . . . 0.0 110.027 179.819 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.512 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 38.7 m -153.07 134.89 14.61 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.503 -0.748 . . . . 0.0 110.423 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.509 ' HB2' ' HB3' ' A' ' 13' ' ' PHE . 1.9 t80 -86.29 43.46 1.06 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.159 -0.963 . . . . 0.0 109.907 179.682 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.41 ' C ' ' O ' ' A' ' 9' ' ' TYR . 9.2 ttt180 42.7 85.53 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.449 -0.782 . . . . 0.0 110.417 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.436 ' O ' ' CB ' ' A' ' 12' ' ' ARG . . . 148.97 -46.7 0.66 Allowed Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.774 -1.33 . . . . 0.0 109.774 179.796 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.518 ' O ' ' N ' ' A' ' 14' ' ' CYS . 0.0 OUTLIER 171.18 -37.61 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.212 -1.169 . . . . 0.0 109.673 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.509 ' HB3' ' HB2' ' A' ' 9' ' ' TYR . 0.2 OUTLIER -53.91 87.61 0.0 OUTLIER 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.597 -0.69 . . . . 0.0 109.649 179.614 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.518 ' N ' ' O ' ' A' ' 12' ' ' ARG . 80.8 m -114.73 101.22 8.87 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.516 -0.74 . . . . 0.0 109.686 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.52 ' O ' ' CG ' ' A' ' 15' ' ' TYR . 3.1 p90 -107.05 126.52 52.44 Favored 'General case' 0 C--N 1.302 -1.461 0 C-N-CA 119.407 -0.917 . . . . 0.0 110.479 -179.678 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.3 mtt85 -73.73 128.45 35.55 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.241 -0.912 . . . . 0.0 110.148 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.7 ttmt -87.1 37.74 0.78 Allowed 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.212 -0.93 . . . . 0.0 110.231 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.43 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 8.9 m -55.93 130.05 42.15 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.237 -0.914 . . . . 0.0 110.232 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.48 ' CD ' ' C ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -112.73 -9.18 13.73 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.282 -0.886 . . . . 0.0 110.245 -179.939 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.347 0 O-C-N 119.831 -1.793 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 6.8 ptp180 . . . . . 0 N--CA 1.492 1.671 0 CA-C-O 121.185 0.517 . . . . 0.0 110.17 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.437 ' O ' ' N ' ' A' ' 4' ' ' CYS . 1.1 ttt180 -112.5 10.97 19.71 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.255 -0.903 . . . . 0.0 110.167 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.466 ' O ' ' O ' ' A' ' 4' ' ' CYS . 4.9 m-90 -69.62 62.36 0.17 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.265 -0.897 . . . . 0.0 110.241 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.466 ' O ' ' O ' ' A' ' 3' ' ' TRP . 0.8 OUTLIER 42.85 -166.75 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.087 0 O-C-N 121.454 -0.779 . . . . 0.0 110.041 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.522 ' O ' ' N ' ' A' ' 7' ' ' VAL . 0.1 OUTLIER -179.7 80.57 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.325 -0.859 . . . . 0.0 109.625 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.446 ' HA ' ' HA ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -50.69 88.69 0.0 OUTLIER 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.454 -0.779 . . . . 0.0 110.383 -179.563 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.549 ' O ' ' HA ' ' A' ' 14' ' ' CYS . 12.5 m -67.07 128.67 30.7 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.392 0 O-C-N 121.149 -0.969 . . . . 0.0 109.986 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.602 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 14.4 m -116.84 147.29 42.27 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.535 -0.728 . . . . 0.0 110.541 -179.582 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.459 ' HB2' ' O ' ' A' ' 13' ' ' PHE . 0.4 OUTLIER -95.43 43.22 1.09 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.253 -0.904 . . . . 0.0 109.967 179.688 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.415 ' C ' ' O ' ' A' ' 9' ' ' TYR . 18.4 mtm180 42.42 90.35 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.41 -0.807 . . . . 0.0 110.22 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.459 ' O ' ' CB ' ' A' ' 12' ' ' ARG . . . 144.06 -49.99 0.68 Allowed Glycine 0 N--CA 1.491 2.3 0 N-CA-C 109.576 -1.41 . . . . 0.0 109.576 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.467 ' O ' ' N ' ' A' ' 14' ' ' CYS . 0.0 OUTLIER 169.91 -36.95 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.228 -1.16 . . . . 0.0 109.742 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.459 ' O ' ' HB2' ' A' ' 9' ' ' TYR . 0.7 OUTLIER -60.2 83.2 0.01 OUTLIER 'General case' 0 C--N 1.298 -1.646 0 O-C-N 121.62 -0.675 . . . . 0.0 109.823 179.695 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.602 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 52.7 t -130.89 137.8 49.51 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.403 -0.811 . . . . 0.0 109.613 -179.837 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 47.5 t80 -135.15 162.58 32.12 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.14 -0.975 . . . . 0.0 110.466 -179.682 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.446 ' HA ' ' HA ' ' A' ' 6' ' ' ARG . 4.3 mtm180 -90.3 82.04 6.01 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.283 -0.885 . . . . 0.0 110.242 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.541 ' CD ' HG21 ' A' ' 7' ' ' VAL . 13.5 mtpt -76.36 -40.24 51.69 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.209 -0.932 . . . . 0.0 110.219 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.439 ' HB2' ' O ' ' A' ' 17' ' ' LYS . 34.5 m 59.15 176.91 0.08 Allowed 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.19 -0.944 . . . . 0.0 110.16 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.9 39.97 1.25 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.238 -0.914 . . . . 0.0 110.294 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.316 0 O-C-N 119.84 -1.788 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 20.5 mmt180 . . . . . 0 N--CA 1.492 1.637 0 CA-C-O 121.236 0.541 . . . . 0.0 110.13 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 32.2 mtp180 -134.71 109.67 8.75 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.225 -0.922 . . . . 0.0 110.362 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 5.0 m0 -109.13 57.77 0.61 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.336 -0.852 . . . . 0.0 110.072 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.408 ' O ' ' HB2' ' A' ' 5' ' ' PHE . 79.4 m -46.38 169.65 0.01 OUTLIER 'General case' 0 C--N 1.299 -1.616 0 O-C-N 121.552 -0.718 . . . . 0.0 110.217 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.523 ' O ' ' N ' ' A' ' 7' ' ' VAL . 0.1 OUTLIER 176.12 79.63 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.315 -0.866 . . . . 0.0 109.557 -179.899 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.469 ' HA ' ' O ' ' A' ' 15' ' ' TYR . 2.9 ttt-85 -43.75 93.19 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.426 -0.796 . . . . 0.0 110.476 -179.504 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.546 ' O ' ' HA ' ' A' ' 14' ' ' CYS . 16.0 m -72.2 129.52 35.58 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.399 0 O-C-N 121.266 -0.896 . . . . 0.0 109.933 179.758 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.607 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 34.4 m -112.07 146.88 37.16 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.463 -0.773 . . . . 0.0 110.607 -179.74 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.47 ' N ' ' O ' ' A' ' 13' ' ' PHE . 2.3 t80 -93.95 41.07 1.08 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.3 -0.875 . . . . 0.0 109.887 179.762 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.9 ttm-85 44.45 91.32 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.416 -0.803 . . . . 0.0 110.215 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.431 ' O ' ' HB2' ' A' ' 12' ' ' ARG . . . 140.17 -50.81 0.75 Allowed Glycine 0 N--CA 1.49 2.266 0 N-CA-C 109.577 -1.409 . . . . 0.0 109.577 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.484 ' O ' ' N ' ' A' ' 14' ' ' CYS . 0.3 OUTLIER 173.59 -38.52 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.286 -1.126 . . . . 0.0 109.846 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.47 ' O ' ' N ' ' A' ' 9' ' ' TYR . 4.6 m-85 -58.43 83.61 0.01 OUTLIER 'General case' 0 C--N 1.299 -1.619 0 O-C-N 121.632 -0.667 . . . . 0.0 110.075 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.607 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 47.6 t -130.29 140.08 50.69 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.373 -0.83 . . . . 0.0 109.38 179.8 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.469 ' O ' ' HA ' ' A' ' 6' ' ' ARG . 43.1 t80 -138.96 162.7 34.24 Favored 'General case' 0 C--N 1.301 -1.52 0 C-N-CA 119.245 -0.982 . . . . 0.0 110.646 -179.592 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.439 ' HA ' ' HA ' ' A' ' 6' ' ' ARG . 2.7 ptt180 -98.42 128.05 44.63 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.33 -0.856 . . . . 0.0 110.091 179.816 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -123.45 65.91 1.01 Allowed 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.266 -0.896 . . . . 0.0 110.371 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.438 ' O ' ' CB ' ' A' ' 19' ' ' ARG . 22.8 m -57.15 120.71 8.53 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.198 -0.939 . . . . 0.0 110.235 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.438 ' CB ' ' O ' ' A' ' 18' ' ' CYS . 0.0 OUTLIER 65.23 101.9 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.233 -0.917 . . . . 0.0 110.207 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.346 0 O-C-N 119.912 -1.743 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.607 0 CA-C-O 121.223 0.535 . . . . 0.0 110.161 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.91 117.3 6.79 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.276 -0.89 . . . . 0.0 110.219 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 2.3 m95 -84.08 55.58 3.37 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.252 -0.905 . . . . 0.0 110.112 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.496 ' HA ' ' CB ' ' A' ' 18' ' ' CYS . 49.0 t -72.03 156.22 39.46 Favored 'General case' 0 C--N 1.299 -1.624 0 O-C-N 121.535 -0.728 . . . . 0.0 110.203 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.583 ' O ' HG13 ' A' ' 7' ' ' VAL . 0.2 OUTLIER 173.52 80.44 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.132 -0.98 . . . . 0.0 109.767 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.466 ' HA ' ' HA ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -43.35 97.63 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.422 -0.799 . . . . 0.0 110.396 -179.563 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.583 HG13 ' O ' ' A' ' 5' ' ' PHE . 25.7 m -82.83 129.0 38.18 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.389 0 O-C-N 121.338 -0.851 . . . . 0.0 110.16 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.626 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 18.2 m -110.89 154.53 23.92 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.469 -0.769 . . . . 0.0 110.502 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.48 ' HB2' ' O ' ' A' ' 13' ' ' PHE . 0.2 OUTLIER -103.64 43.86 1.06 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.257 -0.902 . . . . 0.0 109.881 179.633 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' A' ' 9' ' ' TYR . 0.4 OUTLIER 42.35 88.2 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.449 -0.782 . . . . 0.0 110.368 -179.92 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.505 ' O ' ' CB ' ' A' ' 12' ' ' ARG . . . 144.97 -48.7 0.7 Allowed Glycine 0 N--CA 1.489 2.224 0 N-CA-C 109.612 -1.395 . . . . 0.0 109.612 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.505 ' CB ' ' O ' ' A' ' 11' ' ' GLY . 0.0 OUTLIER 168.74 -36.23 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.237 -1.155 . . . . 0.0 109.776 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.48 ' O ' ' HB2' ' A' ' 9' ' ' TYR . 34.3 m-85 -59.43 81.14 0.01 OUTLIER 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.636 -0.665 . . . . 0.0 110.117 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.626 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 42.5 t -129.7 138.36 51.11 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.234 -0.916 . . . . 0.0 109.275 179.635 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.464 ' CD1' ' N ' ' A' ' 16' ' ' ARG . 47.4 t80 -137.23 158.8 43.62 Favored 'General case' 0 C--N 1.3 -1.554 0 C-N-CA 119.219 -0.992 . . . . 0.0 110.72 -179.346 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.466 ' HA ' ' HA ' ' A' ' 6' ' ' ARG . 2.6 ptt180 -96.89 69.92 2.43 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.319 -0.863 . . . . 0.0 109.872 179.616 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -72.43 55.5 0.34 Allowed 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.366 -0.834 . . . . 0.0 110.094 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.496 ' CB ' ' HA ' ' A' ' 4' ' ' CYS . 15.9 m -80.87 160.48 24.74 Favored 'General case' 0 C--N 1.305 -1.335 0 O-C-N 121.258 -0.901 . . . . 0.0 110.399 -179.74 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 18' ' ' CYS . 1.3 mmm180 43.93 87.18 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.336 -0.852 . . . . 0.0 110.238 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.33 0 O-C-N 119.843 -1.786 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 39.0 mtp180 . . . . . 0 N--CA 1.491 1.581 0 CA-C-O 121.358 0.599 . . . . 0.0 110.137 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 52.0 mtp180 -122.61 16.83 10.38 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.381 -0.824 . . . . 0.0 110.162 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 11.8 m0 -76.2 73.99 3.02 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.251 -0.906 . . . . 0.0 110.293 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 5.5 t -80.11 177.92 8.61 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.415 -0.803 . . . . 0.0 110.074 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.402 ' O ' HG13 ' A' ' 7' ' ' VAL . 0.1 OUTLIER -178.88 77.51 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.241 -0.912 . . . . 0.0 109.678 179.927 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -58.93 92.13 0.02 OUTLIER 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.458 -0.777 . . . . 0.0 110.258 -179.655 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.444 ' H ' HG22 ' A' ' 7' ' ' VAL . 14.2 m -103.35 130.3 53.86 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.346 0 O-C-N 121.284 -0.885 . . . . 0.0 109.99 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.54 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 6.1 t -110.55 156.88 20.3 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 121.167 -0.958 . . . . 0.0 110.966 -179.808 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -86.72 42.07 0.99 Allowed 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.541 -0.724 . . . . 0.0 109.53 179.117 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.7 ttt85 43.13 84.24 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.529 -0.732 . . . . 0.0 110.559 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.474 ' O ' ' CB ' ' A' ' 12' ' ' ARG . . . 161.48 -48.95 0.36 Allowed Glycine 0 N--CA 1.491 2.347 0 N-CA-C 109.871 -1.292 . . . . 0.0 109.871 179.649 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.474 ' CB ' ' O ' ' A' ' 11' ' ' GLY . 2.4 mtt180 169.59 -37.49 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.202 -1.175 . . . . 0.0 109.626 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.425 ' C ' ' SG ' ' A' ' 8' ' ' CYS . 2.3 m-85 -63.02 83.55 0.02 OUTLIER 'General case' 0 C--N 1.298 -1.642 0 O-C-N 121.588 -0.695 . . . . 0.0 109.254 179.364 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.54 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 10.3 m -108.46 111.75 23.8 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.446 -0.784 . . . . 0.0 109.161 -179.704 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.42 ' CZ ' ' O ' ' A' ' 16' ' ' ARG . 27.5 t80 -107.96 154.04 22.2 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 120.907 -1.12 . . . . 0.0 110.13 -179.569 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.42 ' O ' ' CZ ' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -105.23 131.35 52.81 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.204 -0.935 . . . . 0.0 110.147 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.15 23.04 4.58 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.21 -0.931 . . . . 0.0 110.257 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.5 m -45.56 112.12 0.42 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.255 -0.903 . . . . 0.0 110.195 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.45 147.77 52.82 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.267 -0.896 . . . . 0.0 110.253 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.363 0 O-C-N 119.811 -1.806 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.457 ' O ' ' CB ' ' A' ' 2' ' ' ARG . 7.3 ptm180 . . . . . 0 N--CA 1.492 1.635 0 CA-C-O 121.194 0.521 . . . . 0.0 110.179 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.457 ' CB ' ' O ' ' A' ' 1' ' ' ARG . 1.7 ttm180 66.27 -69.09 0.12 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.297 -0.877 . . . . 0.0 110.351 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.456 ' N ' ' O ' ' A' ' 1' ' ' ARG . 0.6 OUTLIER 39.21 47.06 1.34 Allowed 'General case' 0 N--CA 1.498 1.941 0 CA-C-O 121.824 0.821 . . . . 0.0 110.09 -179.799 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.428 ' O ' ' O ' ' A' ' 3' ' ' TRP . 57.7 m -52.55 -173.14 0.0 OUTLIER 'General case' 0 C--N 1.297 -1.703 0 O-C-N 121.79 -0.569 . . . . 0.0 110.321 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.547 ' HB2' ' CG ' ' A' ' 17' ' ' LYS . 0.2 OUTLIER 179.04 78.6 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.296 -0.877 . . . . 0.0 109.586 179.948 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.508 ' O ' ' CG ' ' A' ' 6' ' ' ARG . 0.0 OUTLIER -41.73 94.56 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.5 -0.75 . . . . 0.0 110.497 -179.552 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.498 ' N ' ' O ' ' A' ' 5' ' ' PHE . 2.7 t -77.13 170.26 1.55 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 O-C-N 121.264 -0.897 . . . . 0.0 109.945 179.76 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.524 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 34.8 m -154.28 134.76 13.44 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.393 -0.817 . . . . 0.0 110.519 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.46 ' HB2' ' HB3' ' A' ' 13' ' ' PHE . 1.6 t80 -86.66 42.95 1.04 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.151 -0.968 . . . . 0.0 109.889 179.527 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.443 ' O ' ' HG2' ' A' ' 10' ' ' ARG . 14.1 ttp180 42.27 83.21 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.446 -0.784 . . . . 0.0 110.469 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.465 ' O ' ' CB ' ' A' ' 12' ' ' ARG . . . 151.82 -45.94 0.61 Allowed Glycine 0 N--CA 1.491 2.317 0 N-CA-C 109.751 -1.34 . . . . 0.0 109.751 179.716 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.516 ' O ' ' N ' ' A' ' 14' ' ' CYS . 0.0 OUTLIER 171.1 -38.05 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.222 -1.163 . . . . 0.0 109.555 -179.864 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.46 ' HB3' ' HB2' ' A' ' 9' ' ' TYR . 0.4 OUTLIER -54.3 87.77 0.01 OUTLIER 'General case' 0 C--N 1.299 -1.609 0 CA-C-O 121.48 0.657 . . . . 0.0 109.627 179.523 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.524 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 69.5 m -115.26 102.36 9.8 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 121.531 -0.731 . . . . 0.0 109.689 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.571 ' CG ' ' O ' ' A' ' 15' ' ' TYR . 2.4 p90 -109.0 121.85 46.02 Favored 'General case' 0 C--N 1.301 -1.505 0 C-N-CA 119.39 -0.924 . . . . 0.0 110.33 -179.708 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -58.61 125.24 22.57 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.21 -0.931 . . . . 0.0 110.21 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.547 ' CG ' ' HB2' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -88.6 27.45 1.29 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.273 -0.892 . . . . 0.0 110.236 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.426 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 19.5 m -43.35 97.49 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.261 -0.899 . . . . 0.0 110.195 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 17' ' ' LYS . 4.3 mmm180 42.11 77.23 0.06 Allowed 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.35 -0.844 . . . . 0.0 110.271 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.367 0 O-C-N 119.9 -1.75 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.494 ' HG3' ' N ' ' A' ' 2' ' ' ARG . 22.8 tpt180 . . . . . 0 N--CA 1.492 1.63 0 CA-C-O 121.289 0.566 . . . . 0.0 110.22 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.494 ' N ' ' HG3' ' A' ' 1' ' ' ARG . 4.6 mtt180 -66.33 111.66 3.62 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.194 -0.941 . . . . 0.0 110.178 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -118.68 56.85 0.88 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.228 -0.92 . . . . 0.0 110.199 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.5 t -76.61 156.79 32.44 Favored 'General case' 0 C--N 1.298 -1.637 0 O-C-N 121.53 -0.731 . . . . 0.0 110.064 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.635 ' CD2' ' CG2' ' A' ' 7' ' ' VAL . 6.1 p90 -174.73 78.37 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.186 -0.946 . . . . 0.0 109.558 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.516 ' HA ' ' O ' ' A' ' 15' ' ' TYR . 3.8 ttt180 -52.01 97.65 0.02 OUTLIER 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.569 -0.707 . . . . 0.0 110.658 -179.339 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.635 ' CG2' ' CD2' ' A' ' 5' ' ' PHE . 2.5 t -87.76 164.91 2.2 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 121.278 -0.889 . . . . 0.0 109.718 179.517 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.578 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 5.4 t -151.63 154.42 36.36 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.235 -0.916 . . . . 0.0 111.098 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.4 ' C ' ' HD3' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -86.15 42.69 1.0 Allowed 'General case' 0 N--CA 1.49 1.558 0 CA-C-O 121.536 0.684 . . . . 0.0 109.396 179.033 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.521 ' HD3' ' N ' ' A' ' 10' ' ' ARG . 2.6 mpp_? 42.28 84.08 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.497 -0.752 . . . . 0.0 110.24 -179.71 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.47 ' O ' ' CB ' ' A' ' 12' ' ' ARG . . . 163.52 -49.31 0.31 Allowed Glycine 0 N--CA 1.491 2.343 0 N-CA-C 109.917 -1.273 . . . . 0.0 109.917 179.794 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.47 ' CB ' ' O ' ' A' ' 11' ' ' GLY . 0.2 OUTLIER 169.69 -37.77 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.271 -1.135 . . . . 0.0 109.626 -179.862 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.421 ' C ' ' SG ' ' A' ' 8' ' ' CYS . 10.4 m-85 -64.66 85.9 0.05 OUTLIER 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.593 -0.692 . . . . 0.0 109.239 179.351 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.578 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 7.8 m -109.83 136.53 49.0 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.427 -0.796 . . . . 0.0 108.871 -179.745 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.516 ' O ' ' HA ' ' A' ' 6' ' ' ARG . 18.7 t80 -119.32 147.28 44.49 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 120.831 -1.168 . . . . 0.0 110.53 -179.72 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.431 ' HA ' ' HA ' ' A' ' 6' ' ' ARG . 7.5 mtm180 -109.99 98.47 7.76 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.33 -0.856 . . . . 0.0 110.133 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.558 ' HB2' ' CZ ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -86.13 48.6 1.64 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.286 -0.884 . . . . 0.0 110.192 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -48.38 141.16 6.92 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.306 -0.871 . . . . 0.0 110.186 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.47 ' NH2' ' HG3' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -121.51 173.86 7.13 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.279 -0.888 . . . . 0.0 110.214 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.339 0 O-C-N 119.83 -1.794 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.603 0 CA-C-O 121.284 0.564 . . . . 0.0 110.217 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -140.26 21.96 2.4 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.185 -0.947 . . . . 0.0 110.21 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.44 ' O ' ' O ' ' A' ' 4' ' ' CYS . 7.8 m0 -95.32 73.82 3.32 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.225 -0.922 . . . . 0.0 110.184 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.44 ' O ' ' O ' ' A' ' 3' ' ' TRP . 2.3 t -53.33 -171.74 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.313 -0.867 . . . . 0.0 110.118 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 1.03 ' O ' HG23 ' A' ' 7' ' ' VAL . 0.1 OUTLIER -178.09 81.37 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.179 -0.951 . . . . 0.0 109.488 179.902 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 15.9 ttm-85 -55.41 107.98 0.38 Allowed 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.345 -0.847 . . . . 0.0 110.373 -179.46 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 1.03 HG23 ' O ' ' A' ' 5' ' ' PHE . 4.5 t -124.16 167.93 17.42 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.229 -0.92 . . . . 0.0 109.987 179.689 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.56 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 14.6 t -153.43 157.85 40.53 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.375 -0.828 . . . . 0.0 110.884 179.716 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.427 ' O ' ' C ' ' A' ' 10' ' ' ARG . 5.5 t80 -86.87 42.12 1.0 Allowed 'General case' 0 C--N 1.3 -1.554 0 C-N-CA 120.029 -0.669 . . . . 0.0 109.415 179.014 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.427 ' C ' ' O ' ' A' ' 9' ' ' TYR . 10.4 ttm180 40.43 81.4 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.641 -0.662 . . . . 0.0 110.458 -179.685 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.41 ' O ' ' CB ' ' A' ' 12' ' ' ARG . . . 160.99 -47.36 0.38 Allowed Glycine 0 N--CA 1.491 2.365 0 C-N-CA 119.537 -1.316 . . . . 0.0 110.108 179.77 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.512 ' O ' ' N ' ' A' ' 14' ' ' CYS . 0.9 OUTLIER 175.18 -39.8 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.143 -1.21 . . . . 0.0 109.71 -179.827 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.441 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 10.9 m-30 -61.36 79.85 0.01 OUTLIER 'General case' 0 C--N 1.298 -1.646 0 C-N-CA 119.897 -0.721 . . . . 0.0 109.382 179.448 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.56 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 6.9 m -110.15 99.41 8.48 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.346 -0.846 . . . . 0.0 109.123 -179.726 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -111.33 135.6 51.64 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.083 -1.011 . . . . 0.0 110.493 -179.377 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.8 mtt180 -72.56 135.24 45.53 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.256 -0.903 . . . . 0.0 110.09 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -87.48 34.17 0.7 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.249 -0.907 . . . . 0.0 110.278 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.1 m -55.21 124.86 18.34 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.242 -0.911 . . . . 0.0 110.163 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -171.18 173.74 4.85 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.215 -0.928 . . . . 0.0 110.234 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.339 0 O-C-N 119.84 -1.787 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 10.9 ptm180 . . . . . 0 N--CA 1.492 1.633 0 CA-C-O 121.231 0.539 . . . . 0.0 110.198 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 16.0 mtt180 -144.63 19.22 1.67 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.218 -0.926 . . . . 0.0 110.242 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 1.7 m95 -76.51 58.96 1.41 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.253 -0.904 . . . . 0.0 110.121 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.433 ' O ' ' HB2' ' A' ' 5' ' ' PHE . 75.7 m -58.43 -169.92 0.01 OUTLIER 'General case' 0 C--N 1.299 -1.627 0 O-C-N 121.552 -0.717 . . . . 0.0 110.403 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.52 ' O ' ' N ' ' A' ' 7' ' ' VAL . 0.9 OUTLIER 176.91 79.75 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.35 -0.844 . . . . 0.0 109.511 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.412 ' HA ' ' HA ' ' A' ' 16' ' ' ARG . 7.9 ttt180 -47.43 90.73 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.526 -0.734 . . . . 0.0 110.507 -179.408 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.52 ' N ' ' O ' ' A' ' 5' ' ' PHE . 3.0 t -70.34 172.42 0.91 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.688 0 O-C-N 121.287 -0.883 . . . . 0.0 109.971 179.695 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.536 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 39.9 m -149.11 140.56 23.32 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.529 -0.732 . . . . 0.0 110.469 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.403 ' CB ' ' HB2' ' A' ' 13' ' ' PHE . 0.7 OUTLIER -91.15 43.3 1.14 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.175 -0.953 . . . . 0.0 109.823 179.572 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.467 ' O ' ' HD2' ' A' ' 10' ' ' ARG . 0.5 OUTLIER 46.87 90.76 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.447 -0.783 . . . . 0.0 110.463 179.945 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.485 ' O ' ' HB2' ' A' ' 12' ' ' ARG . . . 142.23 -50.52 0.71 Allowed Glycine 0 N--CA 1.491 2.308 0 N-CA-C 109.703 -1.359 . . . . 0.0 109.703 179.818 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.533 ' O ' ' N ' ' A' ' 14' ' ' CYS . 0.2 OUTLIER 173.28 -38.7 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.402 -1.058 . . . . 0.0 109.55 179.941 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.403 ' HB2' ' CB ' ' A' ' 9' ' ' TYR . 13.0 m-85 -50.2 89.32 0.0 OUTLIER 'General case' 0 C--N 1.299 -1.61 0 CA-C-O 121.491 0.663 . . . . 0.0 109.676 179.577 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.536 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 95.7 m -117.64 119.47 35.09 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.529 -0.732 . . . . 0.0 109.618 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -115.14 130.37 56.91 Favored 'General case' 0 C--N 1.301 -1.508 0 C-N-CA 119.075 -1.05 . . . . 0.0 110.464 -179.829 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.431 ' CG ' ' O ' ' A' ' 16' ' ' ARG . 3.1 ptt180 -79.41 94.13 5.49 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.283 -0.885 . . . . 0.0 110.121 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.9 mtmt -81.0 62.21 4.89 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.262 -0.899 . . . . 0.0 110.229 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.407 ' O ' ' C ' ' A' ' 19' ' ' ARG . 1.3 m -57.56 134.08 55.82 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.211 -0.931 . . . . 0.0 110.268 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 18' ' ' CYS . 0.0 OUTLIER 42.98 79.67 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.284 -0.885 . . . . 0.0 110.198 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.341 0 O-C-N 119.865 -1.772 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 5.3 tpt180 . . . . . 0 N--CA 1.491 1.617 0 CA-C-O 121.285 0.564 . . . . 0.0 110.176 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 74.7 mtt-85 -106.66 113.57 27.15 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.215 -0.928 . . . . 0.0 110.237 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 2.0 m0 -81.46 56.24 2.87 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.233 -0.917 . . . . 0.0 110.114 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.421 ' HA ' ' HA ' ' A' ' 18' ' ' CYS . 62.4 m -51.89 175.49 0.02 OUTLIER 'General case' 0 C--N 1.299 -1.63 0 O-C-N 121.61 -0.681 . . . . 0.0 110.16 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.496 ' O ' ' N ' ' A' ' 7' ' ' VAL . 0.1 OUTLIER 177.69 78.73 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.271 -0.893 . . . . 0.0 109.742 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.448 ' HA ' ' HA ' ' A' ' 16' ' ' ARG . 14.8 ttp180 -51.29 89.37 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.408 -0.808 . . . . 0.0 110.351 -179.627 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.543 ' O ' ' HA ' ' A' ' 14' ' ' CYS . 16.5 m -72.98 128.82 36.04 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.438 0 O-C-N 121.166 -0.959 . . . . 0.0 110.063 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.599 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 13.5 m -118.57 146.33 44.68 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.476 -0.765 . . . . 0.0 110.375 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.432 ' O ' ' C ' ' A' ' 10' ' ' ARG . 0.3 OUTLIER -95.38 43.21 1.09 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.28 -0.888 . . . . 0.0 109.997 179.912 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.432 ' C ' ' O ' ' A' ' 9' ' ' TYR . 0.0 OUTLIER 41.22 89.17 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.519 -0.738 . . . . 0.0 110.344 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.489 ' O ' ' CB ' ' A' ' 12' ' ' ARG . . . 146.26 -49.21 0.65 Allowed Glycine 0 N--CA 1.49 2.241 0 N-CA-C 109.575 -1.41 . . . . 0.0 109.575 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.489 ' CB ' ' O ' ' A' ' 11' ' ' GLY . 0.0 OUTLIER 169.36 -36.41 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.284 -1.127 . . . . 0.0 109.822 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -62.59 83.03 0.02 OUTLIER 'General case' 0 C--N 1.299 -1.612 0 O-C-N 121.552 -0.717 . . . . 0.0 109.978 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.599 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 49.3 t -130.58 138.56 50.21 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.348 -0.845 . . . . 0.0 109.573 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.431 ' O ' ' HA ' ' A' ' 6' ' ' ARG . 10.5 t80 -132.42 163.92 27.67 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.159 -0.963 . . . . 0.0 110.482 -179.689 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.476 ' HD3' ' SG ' ' A' ' 18' ' ' CYS . 0.0 OUTLIER -99.21 118.13 35.23 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.309 -0.869 . . . . 0.0 110.252 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.41 32.82 1.15 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.253 -0.904 . . . . 0.0 110.182 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.476 ' SG ' ' HD3' ' A' ' 16' ' ' ARG . 1.8 m -47.45 129.95 13.43 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.266 -0.896 . . . . 0.0 110.257 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.89 145.55 54.48 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.295 -0.878 . . . . 0.0 110.204 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.337 0 O-C-N 119.862 -1.774 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 11.8 mmt85 . . . . . 0 N--CA 1.492 1.657 0 CA-C-O 121.213 0.53 . . . . 0.0 110.19 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 5.1 ttm105 -135.62 12.53 3.45 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.261 -0.899 . . . . 0.0 110.293 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 4.8 m-90 -70.73 73.95 0.57 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.213 -0.929 . . . . 0.0 110.258 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.446 ' O ' ' HB2' ' A' ' 5' ' ' PHE . 2.1 t -76.71 -177.46 4.29 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.347 -0.846 . . . . 0.0 110.174 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.819 ' O ' HG23 ' A' ' 7' ' ' VAL . 0.3 OUTLIER -179.97 78.57 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.283 -0.886 . . . . 0.0 109.666 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.435 ' HA ' ' HA ' ' A' ' 16' ' ' ARG . 22.6 ttt180 -55.85 111.42 0.92 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.406 -0.809 . . . . 0.0 110.404 -179.487 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.819 HG23 ' O ' ' A' ' 5' ' ' PHE . 2.5 t -117.96 162.37 16.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 121.266 -0.896 . . . . 0.0 109.898 179.706 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.534 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 81.9 m -118.83 140.69 49.55 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.454 -0.779 . . . . 0.0 110.65 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -84.49 36.25 0.58 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.246 -0.909 . . . . 0.0 110.336 179.297 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 20.4 mtp180 45.32 95.85 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.45 -0.781 . . . . 0.0 111.27 179.445 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.549 ' O ' ' CB ' ' A' ' 12' ' ' ARG . . . 150.78 -57.24 0.45 Allowed Glycine 0 N--CA 1.49 2.268 0 N-CA-C 109.781 -1.328 . . . . 0.0 109.781 179.285 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.549 ' CB ' ' O ' ' A' ' 11' ' ' GLY . 0.1 OUTLIER 163.31 47.41 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.619 -0.93 . . . . 0.0 109.536 -179.799 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -152.58 95.38 2.01 Favored 'General case' 0 C--N 1.297 -1.69 0 O-C-N 121.573 -0.704 . . . . 0.0 109.915 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.539 ' HA ' ' O ' ' A' ' 7' ' ' VAL . 84.9 m -106.51 109.11 20.94 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.31 -0.869 . . . . 0.0 108.91 179.488 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -106.75 144.49 33.33 Favored 'General case' 0 C--N 1.302 -1.498 0 C-N-CA 118.939 -1.104 . . . . 0.0 110.353 -179.34 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.435 ' HA ' ' HA ' ' A' ' 6' ' ' ARG . 11.8 mtm180 -85.63 118.43 25.13 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.246 -0.909 . . . . 0.0 110.272 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.45 ' O ' ' O ' ' A' ' 18' ' ' CYS . 6.1 mmtt -62.42 -68.45 0.33 Allowed 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.247 -0.908 . . . . 0.0 110.151 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.45 ' O ' ' O ' ' A' ' 17' ' ' LYS . 1.3 m 54.8 108.12 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.307 -0.87 . . . . 0.0 110.219 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -49.35 -54.03 19.24 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.277 -0.889 . . . . 0.0 110.252 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.359 0 O-C-N 119.905 -1.747 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.45 ' O ' ' HB2' ' A' ' 2' ' ' ARG . 4.1 ptm180 . . . . . 0 N--CA 1.492 1.628 0 CA-C-O 121.255 0.55 . . . . 0.0 110.237 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.45 ' HB2' ' O ' ' A' ' 1' ' ' ARG . 0.1 OUTLIER 56.25 16.88 2.53 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.248 -0.907 . . . . 0.0 110.278 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 43.8 m0 -78.28 74.25 4.82 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.225 -0.922 . . . . 0.0 110.175 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.459 ' O ' ' HB2' ' A' ' 5' ' ' PHE . 2.2 t -64.65 -177.83 0.35 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.417 -0.802 . . . . 0.0 110.222 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.783 ' O ' HG13 ' A' ' 7' ' ' VAL . 2.8 t80 -178.94 76.5 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.301 -0.875 . . . . 0.0 109.782 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.513 ' O ' ' CG ' ' A' ' 6' ' ' ARG . 0.1 OUTLIER -44.38 96.33 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.417 -0.802 . . . . 0.0 110.249 -179.674 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.783 HG13 ' O ' ' A' ' 5' ' ' PHE . 24.7 m -90.99 130.64 39.85 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.336 0 O-C-N 121.284 -0.885 . . . . 0.0 110.124 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.496 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 74.1 m -92.18 136.99 32.74 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.184 -0.948 . . . . 0.0 110.692 -179.742 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 9.8 t80 -82.65 39.47 0.62 Allowed 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.26 -0.9 . . . . 0.0 110.338 179.292 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.1 mtt180 40.73 93.6 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.436 -0.79 . . . . 0.0 111.318 179.527 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.554 ' O ' ' CB ' ' A' ' 12' ' ' ARG . . . 153.48 -56.46 0.43 Allowed Glycine 0 N--CA 1.491 2.322 0 N-CA-C 109.879 -1.288 . . . . 0.0 109.879 179.19 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.554 ' CB ' ' O ' ' A' ' 11' ' ' GLY . 0.0 OUTLIER 162.43 48.5 0.0 OUTLIER 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.697 -0.884 . . . . 0.0 109.336 -179.67 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.538 ' CD2' ' O ' ' A' ' 12' ' ' ARG . 34.4 m-85 -153.36 95.31 1.91 Allowed 'General case' 0 C--N 1.296 -1.733 0 O-C-N 121.661 -0.65 . . . . 0.0 109.867 -179.835 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.496 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 81.3 m -107.58 102.19 11.46 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.275 -0.891 . . . . 0.0 109.42 179.812 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.602 ' CE2' ' CG2' ' A' ' 7' ' ' VAL . 2.3 p90 -101.31 147.41 26.34 Favored 'General case' 0 C--N 1.301 -1.528 0 C-N-CA 119.287 -0.965 . . . . 0.0 110.388 -179.397 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.522 ' CG ' ' O ' ' A' ' 16' ' ' ARG . 17.5 ptt180 -95.0 113.52 25.23 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.197 -0.939 . . . . 0.0 110.091 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.46 ' O ' ' HB2' ' A' ' 18' ' ' CYS . 52.9 tttt -70.93 -50.15 37.8 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.178 -0.951 . . . . 0.0 110.252 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.46 ' HB2' ' O ' ' A' ' 17' ' ' LYS . 4.4 m 56.97 108.2 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.226 -0.921 . . . . 0.0 110.214 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.451 ' O ' ' O ' ' A' ' 18' ' ' CYS . 0.1 OUTLIER 49.49 -179.22 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.24 -0.912 . . . . 0.0 110.208 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.362 0 O-C-N 119.838 -1.789 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 29.1 mmt180 . . . . . 0 N--CA 1.491 1.618 0 CA-C-O 121.189 0.519 . . . . 0.0 110.224 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 25.9 mtt-85 -114.57 111.8 21.92 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.259 -0.901 . . . . 0.0 110.37 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 42.5 m0 -91.22 57.2 3.34 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.251 -0.905 . . . . 0.0 109.922 179.76 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.486 ' CB ' ' HA ' ' A' ' 18' ' ' CYS . 11.0 t -98.22 168.42 10.25 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 121.49 -0.756 . . . . 0.0 110.38 -179.839 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.46 ' O ' HG22 ' A' ' 7' ' ' VAL . 0.1 OUTLIER 176.06 77.34 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.337 -0.852 . . . . 0.0 109.534 179.94 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 8.3 ttp180 -57.73 94.18 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.458 -0.776 . . . . 0.0 110.365 -179.54 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.46 HG22 ' O ' ' A' ' 5' ' ' PHE . 4.1 m -113.6 130.85 66.92 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.345 0 O-C-N 121.266 -0.896 . . . . 0.0 109.838 179.821 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.542 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 10.1 t -110.62 159.11 17.87 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.082 -1.011 . . . . 0.0 110.985 -179.678 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.43 ' O ' ' C ' ' A' ' 10' ' ' ARG . 4.2 m-85 -86.45 42.31 0.99 Allowed 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.583 -0.698 . . . . 0.0 109.503 179.14 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.43 ' C ' ' O ' ' A' ' 9' ' ' TYR . 6.3 ttp180 40.7 82.0 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.555 -0.716 . . . . 0.0 110.486 -179.759 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.464 ' O ' ' CB ' ' A' ' 12' ' ' ARG . . . 160.6 -47.48 0.39 Allowed Glycine 0 N--CA 1.491 2.342 0 C-N-CA 119.596 -1.288 . . . . 0.0 110.065 179.747 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.464 ' CB ' ' O ' ' A' ' 11' ' ' GLY . 1.8 mtp180 172.09 -37.97 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.136 -1.214 . . . . 0.0 109.842 -179.851 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.424 ' C ' ' SG ' ' A' ' 8' ' ' CYS . 2.8 m-85 -62.12 82.04 0.02 OUTLIER 'General case' 0 C--N 1.298 -1.632 0 O-C-N 121.512 -0.743 . . . . 0.0 109.334 179.43 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.542 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 7.8 m -109.84 106.81 16.55 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.301 -0.874 . . . . 0.0 109.273 -179.704 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 23.6 t80 -110.64 145.33 38.11 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 120.977 -1.077 . . . . 0.0 110.243 -179.547 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.403 ' O ' ' CG ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -101.68 127.68 48.32 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.22 -0.925 . . . . 0.0 110.113 179.918 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.409 ' O ' ' N ' ' A' ' 20' ' ' NH2 . 7.7 tttp -88.16 19.98 3.43 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.264 -0.898 . . . . 0.0 110.205 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.486 ' HA ' ' CB ' ' A' ' 4' ' ' CYS . 0.8 OUTLIER -45.14 120.95 2.62 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.278 -0.889 . . . . 0.0 110.16 179.939 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.441 ' HB2' ' O ' ' A' ' 18' ' ' CYS . 12.2 mtm-85 55.64 23.32 6.04 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.255 -0.903 . . . . 0.0 110.198 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . 0.409 ' N ' ' O ' ' A' ' 17' ' ' LYS . . . . . . . . 0 C--N 1.306 -1.318 0 O-C-N 119.848 -1.782 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.461 ' HG2' ' NH2' ' A' ' 1' ' ' ARG . 3.2 tpt180 . . . . . 0 N--CA 1.492 1.648 0 CA-C-O 121.225 0.536 . . . . 0.0 110.228 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 20.2 ptt180 -160.29 113.81 2.13 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.251 -0.905 . . . . 0.0 110.337 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 2.9 m0 -116.25 57.04 0.77 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.297 -0.877 . . . . 0.0 109.989 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.437 ' O ' ' CB ' ' A' ' 5' ' ' PHE . 1.7 t -66.82 -177.34 0.59 Allowed 'General case' 0 C--N 1.298 -1.644 0 O-C-N 121.597 -0.689 . . . . 0.0 110.36 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.659 ' O ' HG13 ' A' ' 7' ' ' VAL . 0.1 OUTLIER 172.44 80.79 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.317 -0.864 . . . . 0.0 109.604 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.528 ' O ' ' CG ' ' A' ' 6' ' ' ARG . 0.1 OUTLIER -41.09 94.16 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.472 -0.767 . . . . 0.0 110.562 -179.485 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.659 HG13 ' O ' ' A' ' 5' ' ' PHE . 23.5 m -82.45 129.94 36.61 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.401 0 O-C-N 121.199 -0.938 . . . . 0.0 110.278 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.614 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 17.0 m -112.03 150.72 30.24 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.433 -0.792 . . . . 0.0 110.487 -179.849 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.419 ' HB2' ' O ' ' A' ' 13' ' ' PHE . 2.3 m-85 -99.51 43.86 1.04 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.268 -0.895 . . . . 0.0 109.977 179.748 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 9' ' ' TYR . 12.0 mtt180 41.91 89.76 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.47 -0.769 . . . . 0.0 110.373 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.491 ' O ' ' CB ' ' A' ' 12' ' ' ARG . . . 144.21 -49.77 0.68 Allowed Glycine 0 N--CA 1.49 2.29 0 N-CA-C 109.518 -1.433 . . . . 0.0 109.518 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.491 ' CB ' ' O ' ' A' ' 11' ' ' GLY . 0.0 OUTLIER 169.83 -36.91 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.262 -1.14 . . . . 0.0 109.749 -180.0 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.419 ' O ' ' HB2' ' A' ' 9' ' ' TYR . 3.1 m-85 -59.96 82.63 0.01 OUTLIER 'General case' 0 C--N 1.299 -1.619 0 O-C-N 121.582 -0.699 . . . . 0.0 110.017 179.793 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.614 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 50.2 t -130.96 136.17 48.31 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.376 -0.828 . . . . 0.0 109.28 179.831 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.498 ' CE2' ' CG2' ' A' ' 7' ' ' VAL . 12.5 p90 -140.99 162.29 35.82 Favored 'General case' 0 C--N 1.3 -1.559 0 C-N-CA 119.124 -1.03 . . . . 0.0 110.62 -179.729 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.447 ' HA ' ' HA ' ' A' ' 6' ' ' ARG . 5.5 ptp180 -77.55 120.25 22.26 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.282 -0.886 . . . . 0.0 110.327 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.16 39.98 1.03 Allowed 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.272 -0.892 . . . . 0.0 110.125 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.411 ' O ' ' C ' ' A' ' 19' ' ' ARG . 1.7 m -51.78 136.12 28.32 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.272 -0.892 . . . . 0.0 110.265 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.463 ' C ' ' CD ' ' A' ' 19' ' ' ARG . 0.3 OUTLIER -42.33 161.39 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.287 -0.883 . . . . 0.0 110.286 179.94 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.369 0 O-C-N 119.886 -1.759 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 9.4 ptp85 . . . . . 0 N--CA 1.491 1.606 0 CA-C-O 121.302 0.572 . . . . 0.0 110.266 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.451 ' CG ' ' O ' ' A' ' 2' ' ' ARG . 0.0 OUTLIER -78.02 115.99 18.17 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.206 -0.934 . . . . 0.0 110.233 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.463 ' O ' ' O ' ' A' ' 4' ' ' CYS . 4.6 m95 -102.49 56.17 0.78 Allowed 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.249 -0.907 . . . . 0.0 110.095 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.463 ' O ' ' O ' ' A' ' 3' ' ' TRP . 69.1 m -47.65 176.96 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.57 -0.706 . . . . 0.0 110.137 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.52 ' O ' ' N ' ' A' ' 7' ' ' VAL . 3.0 t80 -179.95 79.37 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.227 -0.921 . . . . 0.0 109.66 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.513 ' HA ' ' O ' ' A' ' 15' ' ' TYR . 0.1 OUTLIER -50.41 89.87 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.401 -0.812 . . . . 0.0 110.213 -179.645 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.537 ' O ' ' HA ' ' A' ' 14' ' ' CYS . 16.8 m -74.05 129.16 36.59 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 O-C-N 121.239 -0.913 . . . . 0.0 110.258 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.595 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 15.0 m -117.55 146.38 43.62 Favored 'General case' 0 C--N 1.305 -1.361 0 O-C-N 121.523 -0.735 . . . . 0.0 110.348 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.422 ' O ' ' C ' ' A' ' 10' ' ' ARG . 0.3 OUTLIER -95.29 43.52 1.09 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.232 -0.917 . . . . 0.0 110.114 179.849 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.422 ' C ' ' O ' ' A' ' 9' ' ' TYR . 27.0 mtt-85 41.92 89.83 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.404 -0.81 . . . . 0.0 110.342 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.483 ' O ' ' CB ' ' A' ' 12' ' ' ARG . . . 144.78 -49.7 0.67 Allowed Glycine 0 N--CA 1.49 2.261 0 N-CA-C 109.615 -1.394 . . . . 0.0 109.615 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.483 ' CB ' ' O ' ' A' ' 11' ' ' GLY . 0.0 OUTLIER 169.8 -36.58 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.211 -1.17 . . . . 0.0 109.79 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.401 ' O ' ' HB2' ' A' ' 9' ' ' TYR . 46.6 m-85 -61.31 82.91 0.01 OUTLIER 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.505 -0.747 . . . . 0.0 109.967 179.771 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.595 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 53.9 t -130.68 140.68 50.38 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.396 -0.815 . . . . 0.0 109.501 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.513 ' O ' ' HA ' ' A' ' 6' ' ' ARG . 11.0 t80 -133.65 166.92 21.48 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.154 -0.966 . . . . 0.0 110.43 -179.731 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.473 ' CG ' ' O ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -108.63 94.97 5.34 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.266 -0.896 . . . . 0.0 110.132 179.895 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 42.8 mttt -79.6 50.03 1.09 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.225 -0.922 . . . . 0.0 110.285 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.41 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 1.3 m -50.97 143.65 9.93 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.249 -0.907 . . . . 0.0 110.173 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 15.6 ttt85 -124.08 2.34 8.61 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.245 -0.909 . . . . 0.0 110.26 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.368 0 O-C-N 119.907 -1.746 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_