data_2mq4_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 2mq4 _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . 0.428 ' O ' ' O ' ' A' ' 9' ' ' VAL . 6.9 mtt180 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.849 0.356 . . . . 73.21 110.869 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.529 ' HA ' ' O ' ' A' ' 9' ' ' VAL . 0.3 OUTLIER -105.94 52.27 0.73 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 72.24 110.952 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.647 ' O ' ' CG2' ' A' ' 9' ' ' VAL . 20.9 p90 -140.04 117.55 11.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 73.42 110.931 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.498 ' N ' ' HA2' ' A' ' 10' ' ' GLY . 0.8 OUTLIER -73.91 38.34 0.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.095 -0.502 . . . . 74.22 110.871 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.481 ' H ' ' C ' ' A' ' 3' ' ' TYR . 7.3 ptm180 -68.71 -46.67 68.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 74.12 110.855 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.481 ' N ' ' CG ' ' A' ' 5' ' ' ARG . 5.6 mmt85 -82.51 -61.8 1.79 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 72.11 110.884 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.783 ' CD2' HG11 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -135.42 -79.04 0.43 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 74.23 110.884 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.783 HG11 ' CD2' ' A' ' 7' ' ' PHE . 1.7 m -131.94 6.45 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 74.34 111.131 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.647 ' CG2' ' O ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -43.82 -4.43 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 75.14 111.161 179.9 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.724 ' H ' ' C ' ' A' ' 8' ' ' VAL . . . -38.93 -25.13 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.782 -0.723 . . . . 44.21 112.483 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.501 ' N ' ' O ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.338 0 CA-C-O 120.758 0.313 . . . . 73.21 110.933 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . 0.446 ' O ' ' O ' ' A' ' 9' ' ' VAL . 5.5 ptp180 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.822 0.344 . . . . 74.12 110.821 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.513 ' HA ' ' O ' ' A' ' 9' ' ' VAL . 1.2 pt? -107.0 50.63 0.76 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 70.33 110.909 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.646 ' O ' ' CG2' ' A' ' 9' ' ' VAL . 18.9 p90 -140.77 118.04 11.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 74.24 110.896 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.494 ' N ' ' HA2' ' A' ' 10' ' ' GLY . 0.2 OUTLIER -73.66 37.8 0.1 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.111 -0.495 . . . . 73.24 110.858 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.489 ' H ' ' C ' ' A' ' 3' ' ' TYR . 6.5 ptm180 -68.31 -46.8 69.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 73.31 110.86 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.483 ' N ' ' CG ' ' A' ' 5' ' ' ARG . 16.8 mmm-85 -82.4 -61.85 1.78 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 74.21 110.857 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.779 ' CD2' HG11 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -135.55 -78.89 0.43 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 72.12 110.868 -179.923 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.779 HG11 ' CD2' ' A' ' 7' ' ' PHE . 1.8 m -132.01 6.5 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 71.0 111.117 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.646 ' CG2' ' O ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -43.93 -4.35 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 64.35 111.096 179.897 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.721 ' H ' ' C ' ' A' ' 8' ' ' VAL . . . -38.74 -25.6 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.757 -0.735 . . . . 74.44 112.427 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.499 ' N ' ' O ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-O 120.826 0.346 . . . . 73.23 110.862 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . 0.429 ' O ' ' O ' ' A' ' 9' ' ' VAL . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.178 0 CA-C-O 120.827 0.346 . . . . 74.1 110.844 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.53 ' HA ' ' O ' ' A' ' 9' ' ' VAL . 0.4 OUTLIER -105.88 52.38 0.73 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.454 . . . . 72.11 110.911 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.645 ' O ' ' CG2' ' A' ' 9' ' ' VAL . 20.9 p90 -140.01 117.53 11.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 74.53 110.923 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.499 ' N ' ' HA2' ' A' ' 10' ' ' GLY . 0.3 OUTLIER -73.9 38.32 0.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 71.43 110.885 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.479 ' CG ' ' N ' ' A' ' 6' ' ' ARG . 6.8 ptm180 -68.7 -46.6 68.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 75.15 110.891 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.479 ' N ' ' CG ' ' A' ' 5' ' ' ARG . 7.3 mmt85 -82.51 -61.8 1.79 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 75.42 110.882 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.784 ' CD2' HG11 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -135.44 -79.08 0.43 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 65.11 110.829 -179.873 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.784 HG11 ' CD2' ' A' ' 7' ' ' PHE . 1.7 m -131.93 6.5 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 74.42 111.155 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.645 ' CG2' ' O ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -43.84 -4.42 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.489 . . . . 73.32 111.113 179.937 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.725 ' H ' ' C ' ' A' ' 8' ' ' VAL . . . -39.14 -24.98 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.736 -0.745 . . . . 72.44 112.434 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.499 ' N ' ' O ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.321 0 CA-C-O 120.81 0.338 . . . . 72.21 110.826 -179.836 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . 0.444 ' O ' ' O ' ' A' ' 9' ' ' VAL . 6.3 ptp180 . . . . . 0 C--O 1.232 0.184 0 CA-C-O 120.785 0.326 . . . . 74.53 110.847 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.509 ' HA ' ' O ' ' A' ' 9' ' ' VAL . 1.2 pt? -106.98 50.6 0.76 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 74.5 110.889 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.647 ' O ' ' CG2' ' A' ' 9' ' ' VAL . 19.0 p90 -140.75 117.98 11.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.456 . . . . 72.3 110.905 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.491 ' N ' ' HA2' ' A' ' 10' ' ' GLY . 1.8 ptt85 -73.69 37.78 0.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 71.13 110.926 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.489 ' H ' ' C ' ' A' ' 3' ' ' TYR . 6.8 ptm180 -68.26 -46.81 69.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 75.13 110.877 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.475 ' N ' ' CG ' ' A' ' 5' ' ' ARG . 3.0 mmt85 -82.38 -61.84 1.78 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 73.33 110.882 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.78 ' CD2' HG11 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -135.54 -78.91 0.43 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 74.04 110.811 -179.895 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.78 HG11 ' CD2' ' A' ' 7' ' ' PHE . 1.8 m -132.04 6.54 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.48 . . . . 74.32 111.096 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.647 ' CG2' ' O ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -43.93 -4.36 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 54.54 111.1 179.895 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.734 ' H ' ' C ' ' A' ' 8' ' ' VAL . . . -38.79 -25.53 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.712 -0.756 . . . . 65.15 112.55 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.495 ' N ' ' O ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-O 120.81 0.338 . . . . 72.12 110.841 -179.836 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . 0.428 ' O ' ' O ' ' A' ' 9' ' ' VAL . 18.9 ptt-85 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.824 0.345 . . . . 74.42 110.891 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.526 ' HA ' ' O ' ' A' ' 9' ' ' VAL . 0.4 OUTLIER -106.11 52.21 0.73 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 73.5 110.872 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.645 ' O ' ' CG2' ' A' ' 9' ' ' VAL . 20.8 p90 -140.03 117.52 11.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 74.24 110.919 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.491 ' N ' ' HA2' ' A' ' 10' ' ' GLY . 1.6 ptt180 -73.95 38.38 0.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 74.31 110.901 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.48 ' H ' ' C ' ' A' ' 3' ' ' TYR . 1.2 ptm85 -68.77 -46.58 68.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 73.23 110.902 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.473 ' N ' ' CG ' ' A' ' 5' ' ' ARG . 6.9 mmt85 -82.57 -61.79 1.79 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 65.23 110.847 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.786 ' CD2' HG11 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -135.44 -78.98 0.43 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 74.1 110.916 -179.943 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.786 HG11 ' CD2' ' A' ' 7' ' ' PHE . 1.7 m -132.0 6.51 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 73.42 111.123 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.645 ' CG2' ' O ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -43.89 -4.38 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 74.54 111.105 179.936 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.737 ' H ' ' C ' ' A' ' 8' ' ' VAL . . . -39.12 -24.97 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.769 -0.729 . . . . 74.05 112.443 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.5 ' N ' ' O ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.338 0 CA-C-O 120.779 0.323 . . . . 71.42 110.915 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . 0.438 ' O ' ' O ' ' A' ' 9' ' ' VAL . 3.4 mpt_? . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.847 0.356 . . . . 74.2 110.892 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.509 ' HA ' ' O ' ' A' ' 9' ' ' VAL . 1.2 pt? -106.97 50.61 0.76 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 73.31 110.926 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.63 ' O ' ' CG2' ' A' ' 9' ' ' VAL . 19.1 p90 -140.71 117.98 11.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 73.43 110.936 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.503 ' N ' ' HA2' ' A' ' 10' ' ' GLY . 0.1 OUTLIER -73.75 37.74 0.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 72.32 110.881 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.486 ' H ' ' C ' ' A' ' 3' ' ' TYR . 1.3 ptm85 -68.19 -46.75 69.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 73.22 110.893 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.478 ' N ' ' CG ' ' A' ' 5' ' ' ARG . 7.8 mmt85 -82.44 -61.89 1.77 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 74.51 110.852 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.789 ' CD2' HG11 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -135.55 -78.93 0.43 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.455 . . . . 75.44 110.842 -179.897 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.789 HG11 ' CD2' ' A' ' 7' ' ' PHE . 1.7 m -131.94 6.47 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.158 -0.474 . . . . 72.43 111.099 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.63 ' CG2' ' O ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -43.99 -4.31 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 74.4 111.133 179.96 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.715 ' N ' ' O ' ' A' ' 8' ' ' VAL . . . -38.8 -25.55 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.749 -0.738 . . . . 74.3 112.502 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.488 ' N ' ' O ' ' A' ' 9' ' ' VAL . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-O 120.788 0.327 . . . . 74.43 110.854 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . 0.437 ' O ' ' O ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.823 0.344 . . . . 72.14 110.897 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.51 ' HA ' ' O ' ' A' ' 9' ' ' VAL . 1.2 pt? -106.98 50.66 0.76 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 74.44 110.899 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.637 ' O ' ' CG2' ' A' ' 9' ' ' VAL . 19.1 p90 -140.74 118.0 11.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 74.42 110.897 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.494 ' N ' ' HA2' ' A' ' 10' ' ' GLY . 0.7 OUTLIER -73.75 37.84 0.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 75.12 110.871 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.487 ' H ' ' C ' ' A' ' 3' ' ' TYR . 1.2 ptm85 -68.39 -46.63 69.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 72.53 110.894 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.478 ' N ' ' CG ' ' A' ' 5' ' ' ARG . 1.4 mmt-85 -82.49 -61.87 1.77 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 73.11 110.863 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.782 ' CD2' HG11 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -135.54 -78.86 0.43 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 74.32 110.852 -179.93 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.782 HG11 ' CD2' ' A' ' 7' ' ' PHE . 1.7 m -131.98 6.44 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 65.11 111.15 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.637 ' CG2' ' O ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -43.94 -4.37 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 73.13 111.146 179.938 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.719 ' N ' ' O ' ' A' ' 8' ' ' VAL . . . -38.8 -25.57 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.763 -0.732 . . . . 63.35 112.453 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.491 ' N ' ' O ' ' A' ' 9' ' ' VAL . 2.7 ptm180 . . . . . 0 C--N 1.329 -0.312 0 CA-C-O 120.786 0.327 . . . . 73.24 110.888 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . 0.443 ' O ' ' O ' ' A' ' 9' ' ' VAL . 28.6 ptt180 . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.823 0.344 . . . . 75.34 110.858 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.504 ' HA ' ' O ' ' A' ' 9' ' ' VAL . 1.2 pt? -107.13 50.45 0.77 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 73.4 110.926 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.653 ' O ' ' CG2' ' A' ' 9' ' ' VAL . 19.1 p90 -140.67 117.87 11.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.476 . . . . 71.5 110.943 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.497 ' N ' ' HA2' ' A' ' 10' ' ' GLY . 0.0 OUTLIER -73.94 38.37 0.1 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.102 -0.499 . . . . 74.34 110.867 -179.932 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.478 ' H ' ' C ' ' A' ' 3' ' ' TYR . 18.9 ptt180 -68.99 -46.69 67.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.452 . . . . 74.24 110.86 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.477 ' N ' ' CG ' ' A' ' 5' ' ' ARG . 21.0 mmt180 -82.28 -61.49 1.88 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 75.41 110.865 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.777 ' CD2' HG11 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -135.78 -78.69 0.43 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 74.44 110.868 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.777 HG11 ' CD2' ' A' ' 7' ' ' PHE . 1.7 m -132.4 6.48 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 74.13 111.146 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.653 ' CG2' ' O ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -43.9 -4.33 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 63.23 111.132 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.736 ' H ' ' C ' ' A' ' 8' ' ' VAL . . . -38.69 -25.61 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.727 -0.749 . . . . 75.04 112.505 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.489 ' N ' ' O ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-O 120.819 0.342 . . . . 75.5 110.918 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . 0.431 ' O ' ' O ' ' A' ' 9' ' ' VAL . 3.4 mtm180 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.806 0.336 . . . . 74.42 110.846 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.511 ' HA ' ' O ' ' A' ' 9' ' ' VAL . 1.2 pt? -106.89 50.81 0.76 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.194 -0.457 . . . . 71.34 110.909 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.638 ' O ' ' CG2' ' A' ' 9' ' ' VAL . 18.7 p90 -140.96 118.14 11.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 72.13 110.902 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.503 ' N ' ' HA2' ' A' ' 10' ' ' GLY . 8.0 ptt-85 -73.78 37.79 0.1 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.071 -0.513 . . . . 73.51 110.84 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.481 ' H ' ' C ' ' A' ' 3' ' ' TYR . 1.2 ptm85 -68.31 -46.78 69.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 75.25 110.886 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.475 ' N ' ' CG ' ' A' ' 5' ' ' ARG . 5.9 mmt85 -82.37 -61.91 1.76 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 73.32 110.854 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.79 ' CD2' HG11 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -135.46 -78.81 0.43 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 72.23 110.923 -179.949 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.79 HG11 ' CD2' ' A' ' 7' ' ' PHE . 1.7 m -132.11 6.42 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 75.32 111.133 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.638 ' CG2' ' O ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -43.8 -4.58 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 72.21 111.113 179.93 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.72 ' N ' ' O ' ' A' ' 8' ' ' VAL . . . -38.34 -26.1 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.72 -0.752 . . . . 72.05 112.501 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.49 ' N ' ' O ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-O 120.77 0.319 . . . . 75.24 110.841 -179.807 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . 0.467 ' O ' ' O ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.864 0.364 . . . . 75.41 110.895 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.538 ' HA ' ' O ' ' A' ' 9' ' ' VAL . 0.3 OUTLIER -107.24 51.13 0.75 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 74.42 110.96 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.711 ' O ' ' CG2' ' A' ' 9' ' ' VAL . 29.9 p90 -139.62 115.72 10.37 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.195 -0.457 . . . . 72.34 110.909 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.503 ' N ' ' HA2' ' A' ' 10' ' ' GLY . 0.1 OUTLIER -75.31 43.2 0.22 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.079 -0.51 . . . . 74.22 110.87 -179.941 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.486 ' CG ' ' N ' ' A' ' 6' ' ' ARG . 7.9 ptm180 -73.96 -47.1 39.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 73.42 110.887 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.538 ' HB2' ' HD1' ' A' ' 7' ' ' PHE . 0.4 OUTLIER -82.51 -60.23 2.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 75.53 110.878 -179.916 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.804 ' CD2' HG11 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -134.23 -80.83 0.45 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 71.14 110.869 -179.934 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.804 HG11 ' CD2' ' A' ' 7' ' ' PHE . 1.6 m -132.99 7.81 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.468 . . . . 73.33 111.164 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.711 ' CG2' ' O ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -43.5 -5.62 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 74.34 111.137 179.895 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.72 ' H ' ' C ' ' A' ' 8' ' ' VAL . . . -38.17 -25.79 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.777 -0.725 . . . . 64.45 112.488 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.503 ' N ' ' O ' ' A' ' 9' ' ' VAL . 3.4 ptm180 . . . . . 0 C--N 1.329 -0.283 0 CA-C-O 120.744 0.307 . . . . 74.23 110.877 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . 0.46 ' O ' ' O ' ' A' ' 9' ' ' VAL . 62.8 mtp85 . . . . . 0 C--O 1.232 0.184 0 CA-C-O 120.82 0.343 . . . . 71.25 110.901 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.539 ' HA ' ' O ' ' A' ' 9' ' ' VAL . 0.3 OUTLIER -107.34 50.96 0.75 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 74.52 110.948 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.711 ' O ' ' CG2' ' A' ' 9' ' ' VAL . 29.8 p90 -139.5 115.67 10.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 74.11 110.941 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.507 ' N ' ' HA2' ' A' ' 10' ' ' GLY . 2.8 ptp180 -75.21 43.13 0.21 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 73.54 110.877 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.483 ' CG ' ' N ' ' A' ' 6' ' ' ARG . 1.4 ptm85 -74.02 -47.15 38.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 75.14 110.855 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.544 ' HB2' ' HD1' ' A' ' 7' ' ' PHE . 20.0 mtp180 -82.42 -60.29 2.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 74.41 110.88 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.803 ' CD2' HG11 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -134.22 -80.7 0.45 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 75.43 110.882 -179.952 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.803 HG11 ' CD2' ' A' ' 7' ' ' PHE . 1.6 m -133.09 7.76 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 72.21 111.092 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.711 ' CG2' ' O ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -43.54 -5.56 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 75.02 111.143 179.956 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.716 ' H ' ' C ' ' A' ' 8' ' ' VAL . . . -38.07 -25.81 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.756 -0.735 . . . . 61.33 112.491 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.504 ' N ' ' O ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-O 120.789 0.328 . . . . 74.2 110.888 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . 0.455 ' O ' ' O ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.233 0.186 0 CA-C-O 120.845 0.355 . . . . 75.5 110.847 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.538 ' HA ' ' O ' ' A' ' 9' ' ' VAL . 0.3 OUTLIER -107.34 50.9 0.76 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.195 -0.457 . . . . 71.22 110.946 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.708 ' O ' ' CG2' ' A' ' 9' ' ' VAL . 30.0 p90 -139.54 115.79 10.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 65.35 110.888 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.5 ' N ' ' HA2' ' A' ' 10' ' ' GLY . 7.0 ptm180 -75.25 43.11 0.21 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.498 . . . . 75.5 110.871 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.481 ' CG ' ' N ' ' A' ' 6' ' ' ARG . 7.7 ptm180 -74.15 -47.28 36.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 75.35 110.843 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.548 ' HB2' ' HD1' ' A' ' 7' ' ' PHE . 6.8 mtm180 -82.19 -60.2 2.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 74.24 110.883 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.812 ' CD2' HG11 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -134.33 -80.7 0.45 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 72.43 110.902 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.812 HG11 ' CD2' ' A' ' 7' ' ' PHE . 1.6 m -133.14 7.83 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.493 . . . . 72.32 111.115 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.708 ' CG2' ' O ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -43.57 -5.53 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 73.43 111.123 179.905 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.726 ' H ' ' C ' ' A' ' 8' ' ' VAL . . . -38.05 -25.83 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.726 -0.75 . . . . 65.02 112.477 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.515 ' N ' ' O ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-O 120.793 0.33 . . . . 70.52 110.882 -179.838 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . 0.466 ' O ' ' O ' ' A' ' 9' ' ' VAL . 7.7 ptm180 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.874 0.368 . . . . 74.42 110.87 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.537 ' HA ' ' O ' ' A' ' 9' ' ' VAL . 0.3 OUTLIER -107.33 50.93 0.76 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 73.22 110.961 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.708 ' O ' ' CG2' ' A' ' 9' ' ' VAL . 30.0 p90 -139.54 115.74 10.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.458 . . . . 75.22 110.916 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.492 ' N ' ' HA2' ' A' ' 10' ' ' GLY . 0.1 OUTLIER -75.32 43.18 0.22 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 71.54 110.904 -179.96 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.492 ' CG ' ' N ' ' A' ' 6' ' ' ARG . 7.6 ptm180 -74.1 -47.27 37.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 71.15 110.899 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.553 ' HB2' ' HD1' ' A' ' 7' ' ' PHE . 6.9 mtm180 -82.22 -60.17 2.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 75.32 110.861 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.796 ' CD2' HG11 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -134.39 -80.76 0.45 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 75.41 110.83 -179.881 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.796 HG11 ' CD2' ' A' ' 7' ' ' PHE . 1.6 m -133.12 7.86 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 74.21 111.116 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.708 ' CG2' ' O ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -43.55 -5.6 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 73.41 111.166 179.875 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.703 ' N ' ' O ' ' A' ' 8' ' ' VAL . . . -38.0 -25.88 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.725 -0.75 . . . . 71.01 112.509 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.514 ' N ' ' O ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-O 120.766 0.317 . . . . 73.23 110.863 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . 0.423 ' O ' ' O ' ' A' ' 9' ' ' VAL . 5.5 mtt180 . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.849 0.357 . . . . 75.11 110.855 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.524 ' HA ' ' O ' ' A' ' 9' ' ' VAL . 0.3 OUTLIER -105.79 52.23 0.74 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 75.31 110.905 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.677 ' O ' ' CG2' ' A' ' 9' ' ' VAL . 24.3 p90 -139.37 117.1 11.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 74.11 110.895 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.513 ' N ' ' HA2' ' A' ' 10' ' ' GLY . 1.0 OUTLIER -74.74 40.67 0.14 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.081 -0.508 . . . . 75.11 110.875 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.495 ' CG ' ' N ' ' A' ' 6' ' ' ARG . 6.4 ptm180 -71.37 -47.7 54.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 73.04 110.84 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.495 ' N ' ' CG ' ' A' ' 5' ' ' ARG . 2.3 mmp_? -81.05 -61.1 2.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 75.41 110.864 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.791 ' CD2' HG11 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -135.3 -79.37 0.43 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 74.12 110.879 -179.936 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.791 HG11 ' CD2' ' A' ' 7' ' ' PHE . 1.7 m -132.83 7.37 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.489 . . . . 64.32 111.093 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.677 ' CG2' ' O ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -44.22 -4.23 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 75.13 111.118 179.95 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.734 ' H ' ' C ' ' A' ' 8' ' ' VAL . . . -38.71 -25.22 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.745 -0.741 . . . . 63.52 112.437 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.497 ' N ' ' O ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-O 120.782 0.325 . . . . 75.1 110.865 -179.844 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . 0.453 ' O ' ' O ' ' A' ' 9' ' ' VAL . 6.3 mmt85 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.863 0.363 . . . . 72.4 110.888 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.533 ' HA ' ' O ' ' A' ' 9' ' ' VAL . 0.3 OUTLIER -107.45 50.88 0.76 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 74.44 110.934 -179.946 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.702 ' O ' ' CG2' ' A' ' 9' ' ' VAL . 30.1 p90 -139.57 115.75 10.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 75.2 110.919 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.505 ' N ' ' HA2' ' A' ' 10' ' ' GLY . 0.6 OUTLIER -75.35 43.17 0.22 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.073 -0.512 . . . . 74.4 110.865 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.481 ' CG ' ' N ' ' A' ' 6' ' ' ARG . 7.4 ptm180 -74.11 -47.3 37.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 74.22 110.863 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.535 ' HB2' ' HD1' ' A' ' 7' ' ' PHE . 6.7 mtm180 -82.12 -60.29 2.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.434 . . . . 73.31 110.884 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.81 ' CD2' HG11 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -134.29 -80.7 0.45 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 74.23 110.874 -179.928 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.81 HG11 ' CD2' ' A' ' 7' ' ' PHE . 1.6 m -133.11 7.85 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.124 -0.489 . . . . 74.21 111.118 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.702 ' CG2' ' O ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -43.64 -5.5 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 73.45 111.08 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.722 ' H ' ' C ' ' A' ' 8' ' ' VAL . . . -38.16 -25.87 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.736 -0.745 . . . . 55.14 112.487 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.506 ' N ' ' O ' ' A' ' 9' ' ' VAL . 3.2 ptm180 . . . . . 0 C--N 1.329 -0.307 0 CA-C-O 120.778 0.323 . . . . 75.14 110.871 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . 0.464 ' O ' ' O ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.86 0.362 . . . . 72.32 110.854 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.538 ' HA ' ' O ' ' A' ' 9' ' ' VAL . 0.3 OUTLIER -107.17 51.03 0.75 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 70.35 110.926 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.701 ' O ' ' CG2' ' A' ' 9' ' ' VAL . 30.1 p90 -139.6 115.75 10.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 72.04 110.92 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.5 ' N ' ' HA2' ' A' ' 10' ' ' GLY . 3.7 ptt180 -75.27 43.09 0.21 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.078 -0.51 . . . . 74.45 110.927 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.492 ' CG ' ' N ' ' A' ' 6' ' ' ARG . 7.8 ptm180 -74.05 -47.27 37.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 70.44 110.909 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.552 ' HB2' ' HD1' ' A' ' 7' ' ' PHE . 6.8 mtm180 -82.18 -60.19 2.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 74.15 110.883 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.802 ' CD2' HG11 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -134.41 -80.74 0.45 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 73.42 110.847 -179.918 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.802 HG11 ' CD2' ' A' ' 7' ' ' PHE . 1.6 m -133.09 7.83 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 73.5 111.142 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.701 ' CG2' ' O ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -43.56 -5.58 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.153 -0.476 . . . . 61.24 111.119 179.908 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.699 ' H ' ' C ' ' A' ' 8' ' ' VAL . . . -38.02 -25.93 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.768 -0.73 . . . . 73.22 112.506 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.513 ' N ' ' O ' ' A' ' 9' ' ' VAL . 1.1 ptm180 . . . . . 0 C--N 1.329 -0.29 0 CA-C-O 120.808 0.337 . . . . 72.45 110.898 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . 0.453 ' O ' ' O ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.86 0.362 . . . . 73.43 110.885 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.535 ' HA ' ' O ' ' A' ' 9' ' ' VAL . 0.3 OUTLIER -107.44 50.99 0.75 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 74.41 110.934 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.706 ' O ' ' CG2' ' A' ' 9' ' ' VAL . 30.1 p90 -139.53 115.71 10.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 74.11 110.954 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.501 ' N ' ' HA2' ' A' ' 10' ' ' GLY . 0.0 OUTLIER -75.31 43.11 0.22 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 75.13 110.856 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.485 ' CG ' ' N ' ' A' ' 6' ' ' ARG . 7.2 ptm180 -74.08 -47.27 37.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 74.03 110.901 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.55 ' HB2' ' HD1' ' A' ' 7' ' ' PHE . 6.8 mtm180 -82.14 -60.29 2.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 74.31 110.908 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.809 ' CD2' HG11 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -134.33 -80.63 0.45 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 74.45 110.906 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.809 HG11 ' CD2' ' A' ' 7' ' ' PHE . 1.6 m -133.11 7.74 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 75.02 111.119 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.706 ' CG2' ' O ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -43.57 -5.5 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.168 -0.469 . . . . 65.21 111.164 179.95 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.727 ' H ' ' C ' ' A' ' 8' ' ' VAL . . . -38.15 -25.88 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.738 -0.744 . . . . 63.4 112.453 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.509 ' N ' ' O ' ' A' ' 9' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-O 120.814 0.34 . . . . 74.11 110.886 -179.829 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . 0.47 ' O ' ' O ' ' A' ' 9' ' ' VAL . 9.9 mtm180 . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.84 0.353 . . . . 75.52 110.858 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.537 ' HA ' ' O ' ' A' ' 9' ' ' VAL . 0.3 OUTLIER -107.14 51.06 0.75 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 75.05 110.892 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.71 ' O ' ' CG2' ' A' ' 9' ' ' VAL . 29.9 p90 -139.6 115.75 10.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 73.25 110.89 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.5 ' N ' ' HA2' ' A' ' 10' ' ' GLY . 1.8 ptt-85 -75.41 43.88 0.25 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.092 -0.503 . . . . 74.25 110.885 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.486 ' CG ' ' N ' ' A' ' 6' ' ' ARG . 7.9 ptm180 -74.95 -47.23 30.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 74.12 110.874 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.547 ' HB2' ' HD1' ' A' ' 7' ' ' PHE . 6.6 mtm180 -82.21 -59.96 2.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 73.21 110.874 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.807 ' CD2' HG11 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -134.56 -80.62 0.45 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 71.12 110.85 -179.933 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.807 HG11 ' CD2' ' A' ' 7' ' ' PHE . 1.6 m -133.24 7.64 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 70.14 111.122 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.71 ' CG2' ' O ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -43.28 -5.92 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 75.14 111.172 179.903 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.711 ' H ' ' C ' ' A' ' 8' ' ' VAL . . . -37.75 -26.08 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.764 -0.731 . . . . 73.15 112.481 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.517 ' N ' ' O ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-O 120.809 0.338 . . . . 75.31 110.851 -179.841 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . 0.469 ' O ' ' O ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.883 0.373 . . . . 75.24 110.887 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.533 ' HA ' ' O ' ' A' ' 9' ' ' VAL . 0.3 OUTLIER -107.37 50.84 0.76 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.453 . . . . 73.54 110.939 -179.957 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.71 ' O ' ' CG2' ' A' ' 9' ' ' VAL . 30.2 p90 -139.54 115.73 10.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 74.25 110.927 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.497 ' N ' ' HA2' ' A' ' 10' ' ' GLY . 2.3 ptt-85 -75.37 43.17 0.22 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.484 . . . . 75.42 110.826 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.492 ' CG ' ' N ' ' A' ' 6' ' ' ARG . 7.4 ptm180 -74.12 -47.31 37.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 75.44 110.862 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.55 ' HB2' ' HD1' ' A' ' 7' ' ' PHE . 6.9 mtm180 -82.14 -60.23 2.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 73.34 110.89 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.797 ' CD2' HG11 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -134.4 -80.71 0.45 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 74.23 110.831 -179.889 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.797 HG11 ' CD2' ' A' ' 7' ' ' PHE . 1.6 m -133.1 7.84 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.132 -0.486 . . . . 74.04 111.102 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.71 ' CG2' ' O ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -43.61 -5.51 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.185 -0.461 . . . . 74.54 111.134 179.935 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.705 ' N ' ' O ' ' A' ' 8' ' ' VAL . . . -38.16 -25.87 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.687 -0.768 . . . . 73.11 112.489 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.51 ' N ' ' O ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-O 120.777 0.322 . . . . 74.44 110.899 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . 0.426 ' O ' ' O ' ' A' ' 9' ' ' VAL . 11.4 ptt-85 . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.85 0.357 . . . . 72.21 110.854 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.526 ' HA ' ' O ' ' A' ' 9' ' ' VAL . 0.3 OUTLIER -105.91 52.43 0.73 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 74.54 110.908 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.649 ' O ' ' CG2' ' A' ' 9' ' ' VAL . 20.5 p90 -140.33 117.64 11.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 75.14 110.91 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.492 ' N ' ' HA2' ' A' ' 10' ' ' GLY . 0.0 OUTLIER -73.81 37.4 0.1 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.127 -0.488 . . . . 71.24 110.87 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.491 ' H ' ' C ' ' A' ' 3' ' ' TYR . 7.0 ptm180 -67.69 -46.61 71.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 75.03 110.839 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.478 ' N ' ' CG ' ' A' ' 5' ' ' ARG . 3.3 mmt85 -82.58 -61.82 1.78 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 74.3 110.855 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.777 ' CD2' HG11 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -135.37 -78.9 0.44 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 71.3 110.94 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.777 HG11 ' CD2' ' A' ' 7' ' ' PHE . 1.7 m -132.09 6.44 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 74.34 111.139 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.649 ' CG2' ' O ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -43.7 -4.67 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 73.52 111.144 179.9 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.739 ' H ' ' C ' ' A' ' 8' ' ' VAL . . . -38.64 -25.57 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.763 -0.732 . . . . 61.13 112.46 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.495 ' N ' ' O ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-O 120.839 0.352 . . . . 74.3 110.9 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.428 ' O ' ' O ' ' A' ' 9' ' ' VAL . 6.9 mtt180 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.849 0.356 . . . . 73.21 110.869 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.529 ' HA ' ' O ' ' A' ' 9' ' ' VAL . 0.3 OUTLIER -105.94 52.27 0.73 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 72.24 110.952 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.647 ' O ' ' CG2' ' A' ' 9' ' ' VAL . 20.9 p90 -140.04 117.55 11.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 73.42 110.931 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.498 ' N ' ' HA2' ' A' ' 10' ' ' GLY . 0.8 OUTLIER -73.91 38.34 0.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.095 -0.502 . . . . 74.22 110.871 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.481 ' H ' ' C ' ' A' ' 3' ' ' TYR . 7.3 ptm180 -68.71 -46.67 68.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 74.12 110.855 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.481 ' N ' ' CG ' ' A' ' 5' ' ' ARG . 5.6 mmt85 -82.51 -61.8 1.79 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 72.11 110.884 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.783 ' CD2' HG11 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -135.42 -79.04 0.43 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 74.23 110.884 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.783 HG11 ' CD2' ' A' ' 7' ' ' PHE . 1.7 m -131.94 6.45 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 74.34 111.131 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.647 ' CG2' ' O ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -43.82 -4.43 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 75.14 111.161 179.9 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.724 ' H ' ' C ' ' A' ' 8' ' ' VAL . . . -38.93 -25.13 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.782 -0.723 . . . . 44.21 112.483 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.501 ' N ' ' O ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.338 0 CA-C-O 120.758 0.313 . . . . 73.21 110.933 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.446 ' O ' ' O ' ' A' ' 9' ' ' VAL . 5.5 ptp180 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.822 0.344 . . . . 74.12 110.821 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.513 ' HA ' ' O ' ' A' ' 9' ' ' VAL . 1.2 pt? -107.0 50.63 0.76 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 70.33 110.909 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.646 ' O ' ' CG2' ' A' ' 9' ' ' VAL . 18.9 p90 -140.77 118.04 11.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 74.24 110.896 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.494 ' N ' ' HA2' ' A' ' 10' ' ' GLY . 0.2 OUTLIER -73.66 37.8 0.1 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.111 -0.495 . . . . 73.24 110.858 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.489 ' H ' ' C ' ' A' ' 3' ' ' TYR . 6.5 ptm180 -68.31 -46.8 69.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 73.31 110.86 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.483 ' N ' ' CG ' ' A' ' 5' ' ' ARG . 16.8 mmm-85 -82.4 -61.85 1.78 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 74.21 110.857 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.779 ' CD2' HG11 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -135.55 -78.89 0.43 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 72.12 110.868 -179.923 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.779 HG11 ' CD2' ' A' ' 7' ' ' PHE . 1.8 m -132.01 6.5 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 71.0 111.117 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.646 ' CG2' ' O ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -43.93 -4.35 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 64.35 111.096 179.897 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.721 ' H ' ' C ' ' A' ' 8' ' ' VAL . . . -38.74 -25.6 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.757 -0.735 . . . . 74.44 112.427 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.499 ' N ' ' O ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-O 120.826 0.346 . . . . 73.23 110.862 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.429 ' O ' ' O ' ' A' ' 9' ' ' VAL . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.178 0 CA-C-O 120.827 0.346 . . . . 74.1 110.844 . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.53 ' HA ' ' O ' ' A' ' 9' ' ' VAL . 0.4 OUTLIER -105.88 52.38 0.73 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.454 . . . . 72.11 110.911 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.645 ' O ' ' CG2' ' A' ' 9' ' ' VAL . 20.9 p90 -140.01 117.53 11.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 74.53 110.923 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.499 ' N ' ' HA2' ' A' ' 10' ' ' GLY . 0.3 OUTLIER -73.9 38.32 0.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 71.43 110.885 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.479 ' CG ' ' N ' ' A' ' 6' ' ' ARG . 6.8 ptm180 -68.7 -46.6 68.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 75.15 110.891 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.479 ' N ' ' CG ' ' A' ' 5' ' ' ARG . 7.3 mmt85 -82.51 -61.8 1.79 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 75.42 110.882 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.784 ' CD2' HG11 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -135.44 -79.08 0.43 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 65.11 110.829 -179.873 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.784 HG11 ' CD2' ' A' ' 7' ' ' PHE . 1.7 m -131.93 6.5 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 74.42 111.155 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.645 ' CG2' ' O ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -43.84 -4.42 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.489 . . . . 73.32 111.113 179.937 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.725 ' H ' ' C ' ' A' ' 8' ' ' VAL . . . -39.14 -24.98 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.736 -0.745 . . . . 72.44 112.434 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.499 ' N ' ' O ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.321 0 CA-C-O 120.81 0.338 . . . . 72.21 110.826 -179.836 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.444 ' O ' ' O ' ' A' ' 9' ' ' VAL . 6.3 ptp180 . . . . . 0 C--O 1.232 0.184 0 CA-C-O 120.785 0.326 . . . . 74.53 110.847 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.509 ' HA ' ' O ' ' A' ' 9' ' ' VAL . 1.2 pt? -106.98 50.6 0.76 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 74.5 110.889 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.647 ' O ' ' CG2' ' A' ' 9' ' ' VAL . 19.0 p90 -140.75 117.98 11.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.456 . . . . 72.3 110.905 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.491 ' N ' ' HA2' ' A' ' 10' ' ' GLY . 1.8 ptt85 -73.69 37.78 0.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 71.13 110.926 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.489 ' H ' ' C ' ' A' ' 3' ' ' TYR . 6.8 ptm180 -68.26 -46.81 69.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 75.13 110.877 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.475 ' N ' ' CG ' ' A' ' 5' ' ' ARG . 3.0 mmt85 -82.38 -61.84 1.78 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 73.33 110.882 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.78 ' CD2' HG11 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -135.54 -78.91 0.43 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 74.04 110.811 -179.895 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.78 HG11 ' CD2' ' A' ' 7' ' ' PHE . 1.8 m -132.04 6.54 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.48 . . . . 74.32 111.096 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.647 ' CG2' ' O ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -43.93 -4.36 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 54.54 111.1 179.895 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.734 ' H ' ' C ' ' A' ' 8' ' ' VAL . . . -38.79 -25.53 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.712 -0.756 . . . . 65.15 112.55 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.495 ' N ' ' O ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-O 120.81 0.338 . . . . 72.12 110.841 -179.836 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.428 ' O ' ' O ' ' A' ' 9' ' ' VAL . 18.9 ptt-85 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.824 0.345 . . . . 74.42 110.891 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.526 ' HA ' ' O ' ' A' ' 9' ' ' VAL . 0.4 OUTLIER -106.11 52.21 0.73 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 73.5 110.872 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.645 ' O ' ' CG2' ' A' ' 9' ' ' VAL . 20.8 p90 -140.03 117.52 11.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 74.24 110.919 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.491 ' N ' ' HA2' ' A' ' 10' ' ' GLY . 1.6 ptt180 -73.95 38.38 0.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 74.31 110.901 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.48 ' H ' ' C ' ' A' ' 3' ' ' TYR . 1.2 ptm85 -68.77 -46.58 68.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 73.23 110.902 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.473 ' N ' ' CG ' ' A' ' 5' ' ' ARG . 6.9 mmt85 -82.57 -61.79 1.79 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 65.23 110.847 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.786 ' CD2' HG11 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -135.44 -78.98 0.43 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 74.1 110.916 -179.943 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.786 HG11 ' CD2' ' A' ' 7' ' ' PHE . 1.7 m -132.0 6.51 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 73.42 111.123 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.645 ' CG2' ' O ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -43.89 -4.38 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 74.54 111.105 179.936 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.737 ' H ' ' C ' ' A' ' 8' ' ' VAL . . . -39.12 -24.97 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.769 -0.729 . . . . 74.05 112.443 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.5 ' N ' ' O ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.338 0 CA-C-O 120.779 0.323 . . . . 71.42 110.915 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.438 ' O ' ' O ' ' A' ' 9' ' ' VAL . 3.4 mpt_? . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.847 0.356 . . . . 74.2 110.892 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.509 ' HA ' ' O ' ' A' ' 9' ' ' VAL . 1.2 pt? -106.97 50.61 0.76 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 73.31 110.926 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.63 ' O ' ' CG2' ' A' ' 9' ' ' VAL . 19.1 p90 -140.71 117.98 11.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 73.43 110.936 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.503 ' N ' ' HA2' ' A' ' 10' ' ' GLY . 0.1 OUTLIER -73.75 37.74 0.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 72.32 110.881 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.486 ' H ' ' C ' ' A' ' 3' ' ' TYR . 1.3 ptm85 -68.19 -46.75 69.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 73.22 110.893 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.478 ' N ' ' CG ' ' A' ' 5' ' ' ARG . 7.8 mmt85 -82.44 -61.89 1.77 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 74.51 110.852 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.789 ' CD2' HG11 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -135.55 -78.93 0.43 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.455 . . . . 75.44 110.842 -179.897 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.789 HG11 ' CD2' ' A' ' 7' ' ' PHE . 1.7 m -131.94 6.47 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.158 -0.474 . . . . 72.43 111.099 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.63 ' CG2' ' O ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -43.99 -4.31 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 74.4 111.133 179.96 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.715 ' N ' ' O ' ' A' ' 8' ' ' VAL . . . -38.8 -25.55 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.749 -0.738 . . . . 74.3 112.502 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.488 ' N ' ' O ' ' A' ' 9' ' ' VAL . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-O 120.788 0.327 . . . . 74.43 110.854 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.437 ' O ' ' O ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.823 0.344 . . . . 72.14 110.897 . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.51 ' HA ' ' O ' ' A' ' 9' ' ' VAL . 1.2 pt? -106.98 50.66 0.76 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 74.44 110.899 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.637 ' O ' ' CG2' ' A' ' 9' ' ' VAL . 19.1 p90 -140.74 118.0 11.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 74.42 110.897 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.494 ' N ' ' HA2' ' A' ' 10' ' ' GLY . 0.7 OUTLIER -73.75 37.84 0.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 75.12 110.871 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.487 ' H ' ' C ' ' A' ' 3' ' ' TYR . 1.2 ptm85 -68.39 -46.63 69.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 72.53 110.894 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.478 ' N ' ' CG ' ' A' ' 5' ' ' ARG . 1.4 mmt-85 -82.49 -61.87 1.77 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 73.11 110.863 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.782 ' CD2' HG11 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -135.54 -78.86 0.43 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 74.32 110.852 -179.93 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.782 HG11 ' CD2' ' A' ' 7' ' ' PHE . 1.7 m -131.98 6.44 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 65.11 111.15 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.637 ' CG2' ' O ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -43.94 -4.37 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 73.13 111.146 179.938 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.719 ' N ' ' O ' ' A' ' 8' ' ' VAL . . . -38.8 -25.57 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.763 -0.732 . . . . 63.35 112.453 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.491 ' N ' ' O ' ' A' ' 9' ' ' VAL . 2.7 ptm180 . . . . . 0 C--N 1.329 -0.312 0 CA-C-O 120.786 0.327 . . . . 73.24 110.888 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.443 ' O ' ' O ' ' A' ' 9' ' ' VAL . 28.6 ptt180 . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.823 0.344 . . . . 75.34 110.858 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.504 ' HA ' ' O ' ' A' ' 9' ' ' VAL . 1.2 pt? -107.13 50.45 0.77 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 73.4 110.926 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.653 ' O ' ' CG2' ' A' ' 9' ' ' VAL . 19.1 p90 -140.67 117.87 11.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.476 . . . . 71.5 110.943 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.497 ' N ' ' HA2' ' A' ' 10' ' ' GLY . 0.0 OUTLIER -73.94 38.37 0.1 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.102 -0.499 . . . . 74.34 110.867 -179.932 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.478 ' H ' ' C ' ' A' ' 3' ' ' TYR . 18.9 ptt180 -68.99 -46.69 67.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.452 . . . . 74.24 110.86 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.477 ' N ' ' CG ' ' A' ' 5' ' ' ARG . 21.0 mmt180 -82.28 -61.49 1.88 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 75.41 110.865 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.777 ' CD2' HG11 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -135.78 -78.69 0.43 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 74.44 110.868 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.777 HG11 ' CD2' ' A' ' 7' ' ' PHE . 1.7 m -132.4 6.48 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 74.13 111.146 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.653 ' CG2' ' O ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -43.9 -4.33 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 63.23 111.132 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.736 ' H ' ' C ' ' A' ' 8' ' ' VAL . . . -38.69 -25.61 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.727 -0.749 . . . . 75.04 112.505 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.489 ' N ' ' O ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-O 120.819 0.342 . . . . 75.5 110.918 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.431 ' O ' ' O ' ' A' ' 9' ' ' VAL . 3.4 mtm180 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.806 0.336 . . . . 74.42 110.846 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.511 ' HA ' ' O ' ' A' ' 9' ' ' VAL . 1.2 pt? -106.89 50.81 0.76 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.194 -0.457 . . . . 71.34 110.909 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.638 ' O ' ' CG2' ' A' ' 9' ' ' VAL . 18.7 p90 -140.96 118.14 11.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 72.13 110.902 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.503 ' N ' ' HA2' ' A' ' 10' ' ' GLY . 8.0 ptt-85 -73.78 37.79 0.1 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.071 -0.513 . . . . 73.51 110.84 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.481 ' H ' ' C ' ' A' ' 3' ' ' TYR . 1.2 ptm85 -68.31 -46.78 69.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 75.25 110.886 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.475 ' N ' ' CG ' ' A' ' 5' ' ' ARG . 5.9 mmt85 -82.37 -61.91 1.76 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 73.32 110.854 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.79 ' CD2' HG11 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -135.46 -78.81 0.43 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 72.23 110.923 -179.949 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.79 HG11 ' CD2' ' A' ' 7' ' ' PHE . 1.7 m -132.11 6.42 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 75.32 111.133 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.638 ' CG2' ' O ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -43.8 -4.58 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 72.21 111.113 179.93 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.72 ' N ' ' O ' ' A' ' 8' ' ' VAL . . . -38.34 -26.1 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.72 -0.752 . . . . 72.05 112.501 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.49 ' N ' ' O ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-O 120.77 0.319 . . . . 75.24 110.841 -179.807 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.467 ' O ' ' O ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.864 0.364 . . . . 75.41 110.895 . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.538 ' HA ' ' O ' ' A' ' 9' ' ' VAL . 0.3 OUTLIER -107.24 51.13 0.75 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 74.42 110.96 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.711 ' O ' ' CG2' ' A' ' 9' ' ' VAL . 29.9 p90 -139.62 115.72 10.37 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.195 -0.457 . . . . 72.34 110.909 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.503 ' N ' ' HA2' ' A' ' 10' ' ' GLY . 0.1 OUTLIER -75.31 43.2 0.22 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.079 -0.51 . . . . 74.22 110.87 -179.941 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.486 ' CG ' ' N ' ' A' ' 6' ' ' ARG . 7.9 ptm180 -73.96 -47.1 39.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 73.42 110.887 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.538 ' HB2' ' HD1' ' A' ' 7' ' ' PHE . 0.4 OUTLIER -82.51 -60.23 2.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 75.53 110.878 -179.916 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.804 ' CD2' HG11 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -134.23 -80.83 0.45 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 71.14 110.869 -179.934 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.804 HG11 ' CD2' ' A' ' 7' ' ' PHE . 1.6 m -132.99 7.81 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.468 . . . . 73.33 111.164 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.711 ' CG2' ' O ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -43.5 -5.62 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 74.34 111.137 179.895 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.72 ' H ' ' C ' ' A' ' 8' ' ' VAL . . . -38.17 -25.79 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.777 -0.725 . . . . 64.45 112.488 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.503 ' N ' ' O ' ' A' ' 9' ' ' VAL . 3.4 ptm180 . . . . . 0 C--N 1.329 -0.283 0 CA-C-O 120.744 0.307 . . . . 74.23 110.877 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.46 ' O ' ' O ' ' A' ' 9' ' ' VAL . 62.8 mtp85 . . . . . 0 C--O 1.232 0.184 0 CA-C-O 120.82 0.343 . . . . 71.25 110.901 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.539 ' HA ' ' O ' ' A' ' 9' ' ' VAL . 0.3 OUTLIER -107.34 50.96 0.75 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 74.52 110.948 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.711 ' O ' ' CG2' ' A' ' 9' ' ' VAL . 29.8 p90 -139.5 115.67 10.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 74.11 110.941 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.507 ' N ' ' HA2' ' A' ' 10' ' ' GLY . 2.8 ptp180 -75.21 43.13 0.21 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 73.54 110.877 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.483 ' CG ' ' N ' ' A' ' 6' ' ' ARG . 1.4 ptm85 -74.02 -47.15 38.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 75.14 110.855 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.544 ' HB2' ' HD1' ' A' ' 7' ' ' PHE . 20.0 mtp180 -82.42 -60.29 2.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 74.41 110.88 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.803 ' CD2' HG11 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -134.22 -80.7 0.45 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 75.43 110.882 -179.952 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.803 HG11 ' CD2' ' A' ' 7' ' ' PHE . 1.6 m -133.09 7.76 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 72.21 111.092 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.711 ' CG2' ' O ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -43.54 -5.56 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 75.02 111.143 179.956 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.716 ' H ' ' C ' ' A' ' 8' ' ' VAL . . . -38.07 -25.81 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.756 -0.735 . . . . 61.33 112.491 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.504 ' N ' ' O ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-O 120.789 0.328 . . . . 74.2 110.888 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.455 ' O ' ' O ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.233 0.186 0 CA-C-O 120.845 0.355 . . . . 75.5 110.847 . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.538 ' HA ' ' O ' ' A' ' 9' ' ' VAL . 0.3 OUTLIER -107.34 50.9 0.76 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.195 -0.457 . . . . 71.22 110.946 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.708 ' O ' ' CG2' ' A' ' 9' ' ' VAL . 30.0 p90 -139.54 115.79 10.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 65.35 110.888 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.5 ' N ' ' HA2' ' A' ' 10' ' ' GLY . 7.0 ptm180 -75.25 43.11 0.21 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.498 . . . . 75.5 110.871 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.481 ' CG ' ' N ' ' A' ' 6' ' ' ARG . 7.7 ptm180 -74.15 -47.28 36.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 75.35 110.843 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.548 ' HB2' ' HD1' ' A' ' 7' ' ' PHE . 6.8 mtm180 -82.19 -60.2 2.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 74.24 110.883 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.812 ' CD2' HG11 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -134.33 -80.7 0.45 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 72.43 110.902 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.812 HG11 ' CD2' ' A' ' 7' ' ' PHE . 1.6 m -133.14 7.83 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.493 . . . . 72.32 111.115 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.708 ' CG2' ' O ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -43.57 -5.53 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 73.43 111.123 179.905 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.726 ' H ' ' C ' ' A' ' 8' ' ' VAL . . . -38.05 -25.83 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.726 -0.75 . . . . 65.02 112.477 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.515 ' N ' ' O ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-O 120.793 0.33 . . . . 70.52 110.882 -179.838 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.466 ' O ' ' O ' ' A' ' 9' ' ' VAL . 7.7 ptm180 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.874 0.368 . . . . 74.42 110.87 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.537 ' HA ' ' O ' ' A' ' 9' ' ' VAL . 0.3 OUTLIER -107.33 50.93 0.76 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 73.22 110.961 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.708 ' O ' ' CG2' ' A' ' 9' ' ' VAL . 30.0 p90 -139.54 115.74 10.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.458 . . . . 75.22 110.916 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.492 ' N ' ' HA2' ' A' ' 10' ' ' GLY . 0.1 OUTLIER -75.32 43.18 0.22 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 71.54 110.904 -179.96 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.492 ' CG ' ' N ' ' A' ' 6' ' ' ARG . 7.6 ptm180 -74.1 -47.27 37.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 71.15 110.899 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.553 ' HB2' ' HD1' ' A' ' 7' ' ' PHE . 6.9 mtm180 -82.22 -60.17 2.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 75.32 110.861 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.796 ' CD2' HG11 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -134.39 -80.76 0.45 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 75.41 110.83 -179.881 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.796 HG11 ' CD2' ' A' ' 7' ' ' PHE . 1.6 m -133.12 7.86 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 74.21 111.116 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.708 ' CG2' ' O ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -43.55 -5.6 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 73.41 111.166 179.875 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.703 ' N ' ' O ' ' A' ' 8' ' ' VAL . . . -38.0 -25.88 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.725 -0.75 . . . . 71.01 112.509 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.514 ' N ' ' O ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-O 120.766 0.317 . . . . 73.23 110.863 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.423 ' O ' ' O ' ' A' ' 9' ' ' VAL . 5.5 mtt180 . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.849 0.357 . . . . 75.11 110.855 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.524 ' HA ' ' O ' ' A' ' 9' ' ' VAL . 0.3 OUTLIER -105.79 52.23 0.74 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 75.31 110.905 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.677 ' O ' ' CG2' ' A' ' 9' ' ' VAL . 24.3 p90 -139.37 117.1 11.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 74.11 110.895 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.513 ' N ' ' HA2' ' A' ' 10' ' ' GLY . 1.0 OUTLIER -74.74 40.67 0.14 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.081 -0.508 . . . . 75.11 110.875 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.495 ' CG ' ' N ' ' A' ' 6' ' ' ARG . 6.4 ptm180 -71.37 -47.7 54.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 73.04 110.84 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.495 ' N ' ' CG ' ' A' ' 5' ' ' ARG . 2.3 mmp_? -81.05 -61.1 2.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 75.41 110.864 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.791 ' CD2' HG11 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -135.3 -79.37 0.43 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 74.12 110.879 -179.936 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.791 HG11 ' CD2' ' A' ' 7' ' ' PHE . 1.7 m -132.83 7.37 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.489 . . . . 64.32 111.093 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.677 ' CG2' ' O ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -44.22 -4.23 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 75.13 111.118 179.95 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.734 ' H ' ' C ' ' A' ' 8' ' ' VAL . . . -38.71 -25.22 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.745 -0.741 . . . . 63.52 112.437 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.497 ' N ' ' O ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-O 120.782 0.325 . . . . 75.1 110.865 -179.844 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.453 ' O ' ' O ' ' A' ' 9' ' ' VAL . 6.3 mmt85 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.863 0.363 . . . . 72.4 110.888 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.533 ' HA ' ' O ' ' A' ' 9' ' ' VAL . 0.3 OUTLIER -107.45 50.88 0.76 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 74.44 110.934 -179.946 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.702 ' O ' ' CG2' ' A' ' 9' ' ' VAL . 30.1 p90 -139.57 115.75 10.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 75.2 110.919 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.505 ' N ' ' HA2' ' A' ' 10' ' ' GLY . 0.6 OUTLIER -75.35 43.17 0.22 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.073 -0.512 . . . . 74.4 110.865 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.481 ' CG ' ' N ' ' A' ' 6' ' ' ARG . 7.4 ptm180 -74.11 -47.3 37.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 74.22 110.863 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.535 ' HB2' ' HD1' ' A' ' 7' ' ' PHE . 6.7 mtm180 -82.12 -60.29 2.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.434 . . . . 73.31 110.884 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.81 ' CD2' HG11 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -134.29 -80.7 0.45 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 74.23 110.874 -179.928 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.81 HG11 ' CD2' ' A' ' 7' ' ' PHE . 1.6 m -133.11 7.85 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.124 -0.489 . . . . 74.21 111.118 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.702 ' CG2' ' O ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -43.64 -5.5 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 73.45 111.08 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.722 ' H ' ' C ' ' A' ' 8' ' ' VAL . . . -38.16 -25.87 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.736 -0.745 . . . . 55.14 112.487 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.506 ' N ' ' O ' ' A' ' 9' ' ' VAL . 3.2 ptm180 . . . . . 0 C--N 1.329 -0.307 0 CA-C-O 120.778 0.323 . . . . 75.14 110.871 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.464 ' O ' ' O ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.86 0.362 . . . . 72.32 110.854 . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.538 ' HA ' ' O ' ' A' ' 9' ' ' VAL . 0.3 OUTLIER -107.17 51.03 0.75 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 70.35 110.926 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.701 ' O ' ' CG2' ' A' ' 9' ' ' VAL . 30.1 p90 -139.6 115.75 10.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 72.04 110.92 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.5 ' N ' ' HA2' ' A' ' 10' ' ' GLY . 3.7 ptt180 -75.27 43.09 0.21 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.078 -0.51 . . . . 74.45 110.927 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.492 ' CG ' ' N ' ' A' ' 6' ' ' ARG . 7.8 ptm180 -74.05 -47.27 37.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 70.44 110.909 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.552 ' HB2' ' HD1' ' A' ' 7' ' ' PHE . 6.8 mtm180 -82.18 -60.19 2.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 74.15 110.883 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.802 ' CD2' HG11 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -134.41 -80.74 0.45 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 73.42 110.847 -179.918 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.802 HG11 ' CD2' ' A' ' 7' ' ' PHE . 1.6 m -133.09 7.83 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 73.5 111.142 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.701 ' CG2' ' O ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -43.56 -5.58 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.153 -0.476 . . . . 61.24 111.119 179.908 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.699 ' H ' ' C ' ' A' ' 8' ' ' VAL . . . -38.02 -25.93 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.768 -0.73 . . . . 73.22 112.506 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.513 ' N ' ' O ' ' A' ' 9' ' ' VAL . 1.1 ptm180 . . . . . 0 C--N 1.329 -0.29 0 CA-C-O 120.808 0.337 . . . . 72.45 110.898 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.453 ' O ' ' O ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.86 0.362 . . . . 73.43 110.885 . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.535 ' HA ' ' O ' ' A' ' 9' ' ' VAL . 0.3 OUTLIER -107.44 50.99 0.75 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 74.41 110.934 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.706 ' O ' ' CG2' ' A' ' 9' ' ' VAL . 30.1 p90 -139.53 115.71 10.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 74.11 110.954 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.501 ' N ' ' HA2' ' A' ' 10' ' ' GLY . 0.0 OUTLIER -75.31 43.11 0.22 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 75.13 110.856 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.485 ' CG ' ' N ' ' A' ' 6' ' ' ARG . 7.2 ptm180 -74.08 -47.27 37.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 74.03 110.901 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.55 ' HB2' ' HD1' ' A' ' 7' ' ' PHE . 6.8 mtm180 -82.14 -60.29 2.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 74.31 110.908 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.809 ' CD2' HG11 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -134.33 -80.63 0.45 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 74.45 110.906 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.809 HG11 ' CD2' ' A' ' 7' ' ' PHE . 1.6 m -133.11 7.74 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 75.02 111.119 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.706 ' CG2' ' O ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -43.57 -5.5 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.168 -0.469 . . . . 65.21 111.164 179.95 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.727 ' H ' ' C ' ' A' ' 8' ' ' VAL . . . -38.15 -25.88 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.738 -0.744 . . . . 63.4 112.453 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.509 ' N ' ' O ' ' A' ' 9' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-O 120.814 0.34 . . . . 74.11 110.886 -179.829 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.47 ' O ' ' O ' ' A' ' 9' ' ' VAL . 9.9 mtm180 . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.84 0.353 . . . . 75.52 110.858 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.537 ' HA ' ' O ' ' A' ' 9' ' ' VAL . 0.3 OUTLIER -107.14 51.06 0.75 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 75.05 110.892 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.71 ' O ' ' CG2' ' A' ' 9' ' ' VAL . 29.9 p90 -139.6 115.75 10.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 73.25 110.89 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.5 ' N ' ' HA2' ' A' ' 10' ' ' GLY . 1.8 ptt-85 -75.41 43.88 0.25 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.092 -0.503 . . . . 74.25 110.885 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.486 ' CG ' ' N ' ' A' ' 6' ' ' ARG . 7.9 ptm180 -74.95 -47.23 30.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 74.12 110.874 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.547 ' HB2' ' HD1' ' A' ' 7' ' ' PHE . 6.6 mtm180 -82.21 -59.96 2.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 73.21 110.874 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.807 ' CD2' HG11 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -134.56 -80.62 0.45 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 71.12 110.85 -179.933 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.807 HG11 ' CD2' ' A' ' 7' ' ' PHE . 1.6 m -133.24 7.64 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 70.14 111.122 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.71 ' CG2' ' O ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -43.28 -5.92 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 75.14 111.172 179.903 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.711 ' H ' ' C ' ' A' ' 8' ' ' VAL . . . -37.75 -26.08 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.764 -0.731 . . . . 73.15 112.481 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.517 ' N ' ' O ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-O 120.809 0.338 . . . . 75.31 110.851 -179.841 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.469 ' O ' ' O ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.883 0.373 . . . . 75.24 110.887 . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.533 ' HA ' ' O ' ' A' ' 9' ' ' VAL . 0.3 OUTLIER -107.37 50.84 0.76 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.453 . . . . 73.54 110.939 -179.957 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.71 ' O ' ' CG2' ' A' ' 9' ' ' VAL . 30.2 p90 -139.54 115.73 10.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 74.25 110.927 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.497 ' N ' ' HA2' ' A' ' 10' ' ' GLY . 2.3 ptt-85 -75.37 43.17 0.22 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.484 . . . . 75.42 110.826 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.492 ' CG ' ' N ' ' A' ' 6' ' ' ARG . 7.4 ptm180 -74.12 -47.31 37.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 75.44 110.862 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.55 ' HB2' ' HD1' ' A' ' 7' ' ' PHE . 6.9 mtm180 -82.14 -60.23 2.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 73.34 110.89 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.797 ' CD2' HG11 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -134.4 -80.71 0.45 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 74.23 110.831 -179.889 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.797 HG11 ' CD2' ' A' ' 7' ' ' PHE . 1.6 m -133.1 7.84 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.132 -0.486 . . . . 74.04 111.102 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.71 ' CG2' ' O ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -43.61 -5.51 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.185 -0.461 . . . . 74.54 111.134 179.935 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.705 ' N ' ' O ' ' A' ' 8' ' ' VAL . . . -38.16 -25.87 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.687 -0.768 . . . . 73.11 112.489 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.51 ' N ' ' O ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-O 120.777 0.322 . . . . 74.44 110.899 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.426 ' O ' ' O ' ' A' ' 9' ' ' VAL . 11.4 ptt-85 . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.85 0.357 . . . . 72.21 110.854 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.526 ' HA ' ' O ' ' A' ' 9' ' ' VAL . 0.3 OUTLIER -105.91 52.43 0.73 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 74.54 110.908 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.649 ' O ' ' CG2' ' A' ' 9' ' ' VAL . 20.5 p90 -140.33 117.64 11.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 75.14 110.91 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.492 ' N ' ' HA2' ' A' ' 10' ' ' GLY . 0.0 OUTLIER -73.81 37.4 0.1 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.127 -0.488 . . . . 71.24 110.87 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.491 ' H ' ' C ' ' A' ' 3' ' ' TYR . 7.0 ptm180 -67.69 -46.61 71.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 75.03 110.839 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.478 ' N ' ' CG ' ' A' ' 5' ' ' ARG . 3.3 mmt85 -82.58 -61.82 1.78 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 74.3 110.855 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.777 ' CD2' HG11 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -135.37 -78.9 0.44 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 71.3 110.94 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.777 HG11 ' CD2' ' A' ' 7' ' ' PHE . 1.7 m -132.09 6.44 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 74.34 111.139 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.649 ' CG2' ' O ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -43.7 -4.67 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 73.52 111.144 179.9 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.739 ' H ' ' C ' ' A' ' 8' ' ' VAL . . . -38.64 -25.57 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.763 -0.732 . . . . 61.13 112.46 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.495 ' N ' ' O ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-O 120.839 0.352 . . . . 74.3 110.9 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 1' ' ' ARG . . . . . 0.428 ' O ' ' O ' ' A' ' 9' ' ' VAL . 6.9 mtt180 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.849 0.356 . . . . 73.209999999999994 110.869 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.537 ' HA ' ' O ' ' A' ' 9' ' ' VAL . 0.3 OUTLIER -105.94 52.27 0.73 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 63.020000000000003 110.952 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.769 ' O ' HG23 ' A' ' 9' ' ' VAL . 20.9 p90 -140.04 117.55 11.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 73.040000000000006 110.931 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.507 ' N ' ' HA2' ' A' ' 10' ' ' GLY . 0.8 OUTLIER -73.91 38.34 0.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.095 -0.502 . . . . 74.219999999999999 110.871 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.481 ' CG ' ' N ' ' A' ' 6' ' ' ARG . 7.3 ptm180 -68.71 -46.67 68.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 64.040000000000006 110.855 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.481 ' N ' ' CG ' ' A' ' 5' ' ' ARG . 5.6 mmt85 -82.51 -61.8 1.79 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 72.109999999999999 110.884 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.781 ' CD2' HG13 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -135.42 -79.04 0.43 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 73.129999999999995 110.884 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.781 HG13 ' CD2' ' A' ' 7' ' ' PHE . 1.7 m -131.94 6.45 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 74.340000000000003 111.131 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.769 HG23 ' O ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -43.82 -4.43 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 75.140000000000001 111.161 179.9 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.709 ' N ' ' O ' ' A' ' 8' ' ' VAL . . . -38.93 -25.13 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.782 -0.723 . . . . 44.210000000000001 112.483 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.501 ' N ' ' O ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.338 0 CA-C-O 120.758 0.313 . . . . 72.450000000000003 110.933 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 1' ' ' ARG . . . . . 0.446 ' O ' ' O ' ' A' ' 9' ' ' VAL . 5.5 ptp180 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.822 0.344 . . . . 74.120000000000005 110.821 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.584 HD23 ' H ' ' A' ' 2' ' ' LEU . 1.2 pt? -107.0 50.63 0.76 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 52.340000000000003 110.909 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.768 ' O ' HG23 ' A' ' 9' ' ' VAL . 18.9 p90 -140.77 118.04 11.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 74.239999999999995 110.896 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.5 ' N ' ' HA2' ' A' ' 10' ' ' GLY . 0.2 OUTLIER -73.66 37.8 0.1 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.111 -0.495 . . . . 64.230000000000004 110.858 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.483 ' CG ' ' N ' ' A' ' 6' ' ' ARG . 6.5 ptm180 -68.31 -46.8 69.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 71.430000000000007 110.86 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.483 ' N ' ' CG ' ' A' ' 5' ' ' ARG . 16.8 mmm-85 -82.4 -61.85 1.78 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 63.140000000000001 110.857 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.782 ' CD2' HG13 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -135.55 -78.89 0.43 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 64.409999999999997 110.868 -179.923 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.782 HG13 ' CD2' ' A' ' 7' ' ' PHE . 1.8 m -132.01 6.5 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 71.0 111.117 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.768 HG23 ' O ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -43.93 -4.35 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 64.349999999999994 111.096 179.897 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.71 ' N ' ' O ' ' A' ' 8' ' ' VAL . . . -38.74 -25.6 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.757 -0.735 . . . . 74.439999999999998 112.427 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.499 ' N ' ' O ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-O 120.826 0.346 . . . . 73.230000000000004 110.862 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 1' ' ' ARG . . . . . 0.429 ' O ' ' O ' ' A' ' 9' ' ' VAL . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.178 0 CA-C-O 120.827 0.346 . . . . 64.219999999999999 110.844 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.539 ' HA ' ' O ' ' A' ' 9' ' ' VAL . 0.4 OUTLIER -105.88 52.38 0.73 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.454 . . . . 61.340000000000003 110.911 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.771 ' O ' HG23 ' A' ' 9' ' ' VAL . 20.9 p90 -140.01 117.53 11.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 74.530000000000001 110.923 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.507 ' N ' ' HA2' ' A' ' 10' ' ' GLY . 0.3 OUTLIER -73.9 38.32 0.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 71.430000000000007 110.885 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.479 ' CG ' ' N ' ' A' ' 6' ' ' ARG . 6.8 ptm180 -68.7 -46.6 68.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 75.150000000000006 110.891 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.479 ' N ' ' CG ' ' A' ' 5' ' ' ARG . 7.3 mmt85 -82.51 -61.8 1.79 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 73.230000000000004 110.882 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.783 ' CD2' HG13 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -135.44 -79.08 0.43 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 62.420000000000002 110.829 -179.873 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.783 HG13 ' CD2' ' A' ' 7' ' ' PHE . 1.7 m -131.93 6.5 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 62.039999999999999 111.155 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.771 HG23 ' O ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -43.84 -4.42 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.489 . . . . 63.229999999999997 111.113 179.937 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.716 ' N ' ' O ' ' A' ' 8' ' ' VAL . . . -39.14 -24.98 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.736 -0.745 . . . . 72.439999999999998 112.434 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.499 ' N ' ' O ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.321 0 CA-C-O 120.81 0.338 . . . . 63.43 110.826 -179.836 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 1' ' ' ARG . . . . . 0.444 ' O ' ' O ' ' A' ' 9' ' ' VAL . 6.3 ptp180 . . . . . 0 C--O 1.232 0.184 0 CA-C-O 120.785 0.326 . . . . 74.530000000000001 110.847 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.584 HD23 ' H ' ' A' ' 2' ' ' LEU . 1.2 pt? -106.98 50.6 0.76 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 72.120000000000005 110.889 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.778 ' O ' HG23 ' A' ' 9' ' ' VAL . 19.0 p90 -140.75 117.98 11.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.456 . . . . 72.129999999999995 110.905 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.499 ' N ' ' HA2' ' A' ' 10' ' ' GLY . 1.8 ptt85 -73.69 37.78 0.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 63.439999999999998 110.926 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.475 ' CG ' ' N ' ' A' ' 6' ' ' ARG . 6.8 ptm180 -68.26 -46.81 69.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 74.109999999999999 110.877 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.475 ' N ' ' CG ' ' A' ' 5' ' ' ARG . 3.0 mmt85 -82.38 -61.84 1.78 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 63.0 110.882 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.789 ' CD2' HG13 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -135.54 -78.91 0.43 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 71.200000000000003 110.811 -179.895 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.789 HG13 ' CD2' ' A' ' 7' ' ' PHE . 1.8 m -132.04 6.54 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.48 . . . . 74.109999999999999 111.096 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.778 HG23 ' O ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -43.93 -4.36 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 41.200000000000003 111.1 179.895 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.715 ' N ' ' O ' ' A' ' 8' ' ' VAL . . . -38.79 -25.53 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.712 -0.756 . . . . 63.310000000000002 112.55 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.495 ' N ' ' O ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-O 120.81 0.338 . . . . 72.120000000000005 110.841 -179.836 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 1' ' ' ARG . . . . . 0.428 ' O ' ' O ' ' A' ' 9' ' ' VAL . 18.9 ptt-85 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.824 0.345 . . . . 72.129999999999995 110.891 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.533 ' HA ' ' O ' ' A' ' 9' ' ' VAL . 0.4 OUTLIER -106.11 52.21 0.73 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 65.340000000000003 110.872 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.778 ' O ' HG23 ' A' ' 9' ' ' VAL . 20.8 p90 -140.03 117.52 11.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 74.239999999999995 110.919 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.499 ' N ' ' HA2' ' A' ' 10' ' ' GLY . 1.6 ptt180 -73.95 38.38 0.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 70.219999999999999 110.901 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.473 ' CG ' ' N ' ' A' ' 6' ' ' ARG . 1.2 ptm85 -68.77 -46.58 68.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 55.039999999999999 110.902 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.473 ' N ' ' CG ' ' A' ' 5' ' ' ARG . 6.9 mmt85 -82.57 -61.79 1.79 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 63.299999999999997 110.847 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.79 ' CD2' HG13 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -135.44 -78.98 0.43 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 74.099999999999994 110.916 -179.943 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.79 HG13 ' CD2' ' A' ' 7' ' ' PHE . 1.7 m -132.0 6.51 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 73.420000000000002 111.123 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.778 HG23 ' O ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -43.89 -4.38 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 64.430000000000007 111.105 179.936 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.718 ' N ' ' O ' ' A' ' 8' ' ' VAL . . . -39.12 -24.97 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.769 -0.729 . . . . 55.039999999999999 112.443 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.5 ' N ' ' O ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.338 0 CA-C-O 120.779 0.323 . . . . 71.420000000000002 110.915 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 1' ' ' ARG . . . . . 0.438 ' O ' ' O ' ' A' ' 9' ' ' VAL . 3.4 mpt_? . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.847 0.356 . . . . 74.200000000000003 110.892 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.585 HD23 ' H ' ' A' ' 2' ' ' LEU . 1.2 pt? -106.97 50.61 0.76 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 70.129999999999995 110.926 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.774 ' O ' HG23 ' A' ' 9' ' ' VAL . 19.1 p90 -140.71 117.98 11.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 73.430000000000007 110.936 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.51 ' N ' ' HA2' ' A' ' 10' ' ' GLY . 0.1 OUTLIER -73.75 37.74 0.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 71.329999999999998 110.881 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.478 ' CG ' ' N ' ' A' ' 6' ' ' ARG . 1.3 ptm85 -68.19 -46.75 69.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 72.200000000000003 110.893 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.478 ' N ' ' CG ' ' A' ' 5' ' ' ARG . 7.8 mmt85 -82.44 -61.89 1.77 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 74.510000000000005 110.852 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.79 ' CD2' HG13 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -135.55 -78.93 0.43 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.455 . . . . 75.439999999999998 110.842 -179.897 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.79 HG13 ' CD2' ' A' ' 7' ' ' PHE . 1.7 m -131.94 6.47 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.158 -0.474 . . . . 72.120000000000005 111.099 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.774 HG23 ' O ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -43.99 -4.31 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 74.400000000000006 111.133 179.96 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.715 ' N ' ' O ' ' A' ' 8' ' ' VAL . . . -38.8 -25.55 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.749 -0.738 . . . . 74.299999999999997 112.502 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.488 ' N ' ' O ' ' A' ' 9' ' ' VAL . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-O 120.788 0.327 . . . . 74.430000000000007 110.854 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 1' ' ' ARG . . . . . 0.437 ' O ' ' O ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.823 0.344 . . . . 55.399999999999999 110.897 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.585 HD23 ' H ' ' A' ' 2' ' ' LEU . 1.2 pt? -106.98 50.66 0.76 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 74.439999999999998 110.899 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.772 ' O ' HG23 ' A' ' 9' ' ' VAL . 19.1 p90 -140.74 118.0 11.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 74.420000000000002 110.897 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.502 ' N ' ' HA2' ' A' ' 10' ' ' GLY . 0.7 OUTLIER -73.75 37.84 0.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 73.0 110.871 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.478 ' CG ' ' N ' ' A' ' 6' ' ' ARG . 1.2 ptm85 -68.39 -46.63 69.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 72.530000000000001 110.894 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.478 ' N ' ' CG ' ' A' ' 5' ' ' ARG . 1.4 mmt-85 -82.49 -61.87 1.77 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 54.520000000000003 110.863 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.795 ' CD2' HG13 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -135.54 -78.86 0.43 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 74.200000000000003 110.852 -179.93 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.795 HG13 ' CD2' ' A' ' 7' ' ' PHE . 1.7 m -131.98 6.44 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 65.109999999999999 111.15 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.772 HG23 ' O ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -43.94 -4.37 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 73.129999999999995 111.146 179.938 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.719 ' N ' ' O ' ' A' ' 8' ' ' VAL . . . -38.8 -25.57 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.763 -0.732 . . . . 52.32 112.453 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.491 ' N ' ' O ' ' A' ' 9' ' ' VAL . 2.7 ptm180 . . . . . 0 C--N 1.329 -0.312 0 CA-C-O 120.786 0.327 . . . . 73.239999999999995 110.888 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 1' ' ' ARG . . . . . 0.443 ' O ' ' O ' ' A' ' 9' ' ' VAL . 28.6 ptt180 . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.823 0.344 . . . . 74.530000000000001 110.858 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.581 HD23 ' H ' ' A' ' 2' ' ' LEU . 1.2 pt? -107.13 50.45 0.77 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 73.400000000000006 110.926 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.782 ' O ' HG23 ' A' ' 9' ' ' VAL . 19.1 p90 -140.67 117.87 11.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.476 . . . . 71.5 110.943 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.501 ' N ' ' HA2' ' A' ' 10' ' ' GLY . 0.0 OUTLIER -73.94 38.37 0.1 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.102 -0.499 . . . . 72.109999999999999 110.867 -179.932 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.477 ' CG ' ' N ' ' A' ' 6' ' ' ARG . 18.9 ptt180 -68.99 -46.69 67.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.452 . . . . 74.239999999999995 110.86 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.477 ' N ' ' CG ' ' A' ' 5' ' ' ARG . 21.0 mmt180 -82.28 -61.49 1.88 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 63.420000000000002 110.865 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.784 ' CD2' HG13 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -135.78 -78.69 0.43 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 74.439999999999998 110.868 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.784 HG13 ' CD2' ' A' ' 7' ' ' PHE . 1.7 m -132.4 6.48 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 74.129999999999995 111.146 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.782 HG23 ' O ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -43.9 -4.33 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 62.119999999999997 111.132 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.716 ' N ' ' O ' ' A' ' 8' ' ' VAL . . . -38.69 -25.61 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.727 -0.749 . . . . 75.040000000000006 112.505 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.489 ' N ' ' O ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-O 120.819 0.342 . . . . 75.5 110.918 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 1' ' ' ARG . . . . . 0.431 ' O ' ' O ' ' A' ' 9' ' ' VAL . 3.4 mtm180 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.806 0.336 . . . . 74.420000000000002 110.846 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.588 HD23 ' H ' ' A' ' 2' ' ' LEU . 1.2 pt? -106.89 50.81 0.76 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.194 -0.457 . . . . 71.329999999999998 110.909 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.775 ' O ' HG23 ' A' ' 9' ' ' VAL . 18.7 p90 -140.96 118.14 11.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 72.129999999999995 110.902 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.509 ' N ' ' HA2' ' A' ' 10' ' ' GLY . 8.0 ptt-85 -73.78 37.79 0.1 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.071 -0.513 . . . . 72.150000000000006 110.84 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.475 ' CG ' ' N ' ' A' ' 6' ' ' ARG . 1.2 ptm85 -68.31 -46.78 69.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 75.25 110.886 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.475 ' N ' ' CG ' ' A' ' 5' ' ' ARG . 5.9 mmt85 -82.37 -61.91 1.76 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 73.319999999999993 110.854 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.789 ' CD2' HG13 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -135.46 -78.81 0.43 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 71.200000000000003 110.923 -179.949 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.789 HG13 ' CD2' ' A' ' 7' ' ' PHE . 1.7 m -132.11 6.42 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 75.319999999999993 111.133 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.775 HG23 ' O ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -43.8 -4.58 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 72.209999999999994 111.113 179.93 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.72 ' N ' ' O ' ' A' ' 8' ' ' VAL . . . -38.34 -26.1 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.72 -0.752 . . . . 72.049999999999997 112.501 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.49 ' N ' ' O ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-O 120.77 0.319 . . . . 73.400000000000006 110.841 -179.807 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 1' ' ' ARG . . . . . 0.467 ' O ' ' O ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.864 0.364 . . . . 75.409999999999997 110.895 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.547 ' HA ' ' O ' ' A' ' 9' ' ' VAL . 0.3 OUTLIER -107.24 51.13 0.75 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 64.25 110.96 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.83 ' O ' HG23 ' A' ' 9' ' ' VAL . 29.9 p90 -139.62 115.72 10.37 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.195 -0.457 . . . . 72.310000000000002 110.909 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.508 ' N ' ' HA2' ' A' ' 10' ' ' GLY . 0.1 OUTLIER -75.31 43.2 0.22 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.079 -0.51 . . . . 74.219999999999999 110.87 -179.941 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.486 ' CG ' ' N ' ' A' ' 6' ' ' ARG . 7.9 ptm180 -73.96 -47.1 39.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 73.420000000000002 110.887 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.543 ' HB2' ' HD1' ' A' ' 7' ' ' PHE . 0.4 OUTLIER -82.51 -60.23 2.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 71.420000000000002 110.878 -179.916 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.801 ' CD2' HG13 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -134.23 -80.83 0.45 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 64.510000000000005 110.869 -179.934 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.801 HG13 ' CD2' ' A' ' 7' ' ' PHE . 1.6 m -132.99 7.81 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.468 . . . . 63.299999999999997 111.164 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.83 HG23 ' O ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -43.5 -5.62 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 74.340000000000003 111.137 179.895 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.711 ' N ' ' O ' ' A' ' 8' ' ' VAL . . . -38.17 -25.79 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.777 -0.725 . . . . 64.450000000000003 112.488 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.503 ' N ' ' O ' ' A' ' 9' ' ' VAL . 3.4 ptm180 . . . . . 0 C--N 1.329 -0.283 0 CA-C-O 120.744 0.307 . . . . 73.450000000000003 110.877 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 1' ' ' ARG . . . . . 0.46 ' O ' ' O ' ' A' ' 9' ' ' VAL . 62.8 mtp85 . . . . . 0 C--O 1.232 0.184 0 CA-C-O 120.82 0.343 . . . . 54.32 110.901 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.546 ' HA ' ' O ' ' A' ' 9' ' ' VAL . 0.3 OUTLIER -107.34 50.96 0.75 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 71.019999999999996 110.948 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.84 ' O ' HG23 ' A' ' 9' ' ' VAL . 29.8 p90 -139.5 115.67 10.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 74.109999999999999 110.941 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.511 ' N ' ' HA2' ' A' ' 10' ' ' GLY . 2.8 ptp180 -75.21 43.13 0.21 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 61.530000000000001 110.877 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.483 ' CG ' ' N ' ' A' ' 6' ' ' ARG . 1.4 ptm85 -74.02 -47.15 38.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 75.140000000000001 110.855 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.549 ' HB2' ' HD1' ' A' ' 7' ' ' PHE . 20.0 mtp180 -82.42 -60.29 2.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 74.109999999999999 110.88 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.798 ' CD2' HG13 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -134.22 -80.7 0.45 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 72.030000000000001 110.882 -179.952 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.798 HG13 ' CD2' ' A' ' 7' ' ' PHE . 1.6 m -133.09 7.76 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 72.209999999999994 111.092 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.84 HG23 ' O ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -43.54 -5.56 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 44.210000000000001 111.143 179.956 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.709 ' N ' ' O ' ' A' ' 8' ' ' VAL . . . -38.07 -25.81 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.756 -0.735 . . . . 61.329999999999998 112.491 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.504 ' N ' ' O ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-O 120.789 0.328 . . . . 32.100000000000001 110.888 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 1' ' ' ARG . . . . . 0.455 ' O ' ' O ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.233 0.186 0 CA-C-O 120.845 0.355 . . . . 64.420000000000002 110.847 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.546 ' HA ' ' O ' ' A' ' 9' ' ' VAL . 0.3 OUTLIER -107.34 50.9 0.76 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.195 -0.457 . . . . 61.219999999999999 110.946 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.833 ' O ' HG23 ' A' ' 9' ' ' VAL . 30.0 p90 -139.54 115.79 10.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 64.340000000000003 110.888 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.503 ' N ' ' HA2' ' A' ' 10' ' ' GLY . 7.0 ptm180 -75.25 43.11 0.21 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.498 . . . . 72.430000000000007 110.871 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.481 ' CG ' ' N ' ' A' ' 6' ' ' ARG . 7.7 ptm180 -74.15 -47.28 36.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 75.349999999999994 110.843 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.554 ' HB2' ' HD1' ' A' ' 7' ' ' PHE . 6.8 mtm180 -82.19 -60.2 2.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 73.120000000000005 110.883 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.819 ' CD2' HG13 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -134.33 -80.7 0.45 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 71.030000000000001 110.902 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.819 HG13 ' CD2' ' A' ' 7' ' ' PHE . 1.6 m -133.14 7.83 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.493 . . . . 72.239999999999995 111.115 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.833 HG23 ' O ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -43.57 -5.53 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 65.299999999999997 111.123 179.905 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.699 ' N ' ' O ' ' A' ' 8' ' ' VAL . . . -38.05 -25.83 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.726 -0.75 . . . . 24.32 112.477 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.515 ' N ' ' O ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-O 120.793 0.33 . . . . 63.350000000000001 110.882 -179.838 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 1' ' ' ARG . . . . . 0.466 ' O ' ' O ' ' A' ' 9' ' ' VAL . 7.7 ptm180 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.874 0.368 . . . . 74.420000000000002 110.87 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.546 ' HA ' ' O ' ' A' ' 9' ' ' VAL . 0.3 OUTLIER -107.33 50.93 0.76 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 65.299999999999997 110.961 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.84 ' O ' HG23 ' A' ' 9' ' ' VAL . 30.0 p90 -139.54 115.74 10.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.458 . . . . 75.219999999999999 110.916 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.5 ' N ' ' HA2' ' A' ' 10' ' ' GLY . 0.1 OUTLIER -75.32 43.18 0.22 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 71.540000000000006 110.904 -179.96 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.492 ' CG ' ' N ' ' A' ' 6' ' ' ARG . 7.6 ptm180 -74.1 -47.27 37.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 64.030000000000001 110.899 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.558 ' HB2' ' HD1' ' A' ' 7' ' ' PHE . 6.9 mtm180 -82.22 -60.17 2.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 62.020000000000003 110.861 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.823 ' CD2' HG13 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -134.39 -80.76 0.45 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 63.039999999999999 110.83 -179.881 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.823 HG13 ' CD2' ' A' ' 7' ' ' PHE . 1.6 m -133.12 7.86 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 74.209999999999994 111.116 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.84 HG23 ' O ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -43.55 -5.6 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 73.409999999999997 111.166 179.875 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.703 ' N ' ' O ' ' A' ' 8' ' ' VAL . . . -38.0 -25.88 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.725 -0.75 . . . . 71.010000000000005 112.509 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.514 ' N ' ' O ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-O 120.766 0.317 . . . . 73.230000000000004 110.863 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 1' ' ' ARG . . . . . 0.423 ' O ' ' O ' ' A' ' 9' ' ' VAL . 5.5 mtt180 . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.849 0.357 . . . . 75.109999999999999 110.855 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.532 ' HA ' ' O ' ' A' ' 9' ' ' VAL . 0.3 OUTLIER -105.79 52.23 0.74 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 73.209999999999994 110.905 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.796 ' O ' HG23 ' A' ' 9' ' ' VAL . 24.3 p90 -139.37 117.1 11.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 74.109999999999999 110.895 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.516 ' N ' ' HA2' ' A' ' 10' ' ' GLY . 1.0 OUTLIER -74.74 40.67 0.14 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.081 -0.508 . . . . 72.030000000000001 110.875 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.495 ' CG ' ' N ' ' A' ' 6' ' ' ARG . 6.4 ptm180 -71.37 -47.7 54.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 73.040000000000006 110.84 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.499 ' HB2' ' HD1' ' A' ' 7' ' ' PHE . 2.3 mmp_? -81.05 -61.1 2.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 75.409999999999997 110.864 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.78 ' CD2' HG13 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -135.3 -79.37 0.43 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 70.400000000000006 110.879 -179.936 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.78 HG13 ' CD2' ' A' ' 7' ' ' PHE . 1.7 m -132.83 7.37 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.489 . . . . 64.319999999999993 111.093 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.796 HG23 ' O ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -44.22 -4.23 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 75.129999999999995 111.118 179.95 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.713 ' N ' ' O ' ' A' ' 8' ' ' VAL . . . -38.71 -25.22 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.745 -0.741 . . . . 63.520000000000003 112.437 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.497 ' N ' ' O ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-O 120.782 0.325 . . . . 75.099999999999994 110.865 -179.844 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 1' ' ' ARG . . . . . 0.453 ' O ' ' O ' ' A' ' 9' ' ' VAL . 6.3 mmt85 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.863 0.363 . . . . 71.340000000000003 110.888 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.54 ' HA ' ' O ' ' A' ' 9' ' ' VAL . 0.3 OUTLIER -107.45 50.88 0.76 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 74.439999999999998 110.934 -179.946 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.845 ' O ' HG23 ' A' ' 9' ' ' VAL . 30.1 p90 -139.57 115.75 10.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 62.25 110.919 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.512 ' N ' ' HA2' ' A' ' 10' ' ' GLY . 0.6 OUTLIER -75.35 43.17 0.22 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.073 -0.512 . . . . 74.400000000000006 110.865 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.481 ' CG ' ' N ' ' A' ' 6' ' ' ARG . 7.4 ptm180 -74.11 -47.3 37.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 74.219999999999999 110.863 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.538 ' HB2' ' HD1' ' A' ' 7' ' ' PHE . 6.7 mtm180 -82.12 -60.29 2.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.434 . . . . 71.109999999999999 110.884 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.813 ' CD2' HG13 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -134.29 -80.7 0.45 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 64.109999999999999 110.874 -179.928 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.813 HG13 ' CD2' ' A' ' 7' ' ' PHE . 1.6 m -133.11 7.85 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.124 -0.489 . . . . 70.310000000000002 111.118 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.845 HG23 ' O ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -43.64 -5.5 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 73.439999999999998 111.08 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.704 ' N ' ' O ' ' A' ' 8' ' ' VAL . . . -38.16 -25.87 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.736 -0.745 . . . . 51.409999999999997 112.487 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.506 ' N ' ' O ' ' A' ' 9' ' ' VAL . 3.2 ptm180 . . . . . 0 C--N 1.329 -0.307 0 CA-C-O 120.778 0.323 . . . . 75.140000000000001 110.871 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 1' ' ' ARG . . . . . 0.464 ' O ' ' O ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.86 0.362 . . . . 72.319999999999993 110.854 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.545 ' HA ' ' O ' ' A' ' 9' ' ' VAL . 0.3 OUTLIER -107.17 51.03 0.75 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 70.349999999999994 110.926 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.835 ' O ' HG23 ' A' ' 9' ' ' VAL . 30.1 p90 -139.6 115.75 10.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 72.040000000000006 110.92 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.508 ' N ' ' HA2' ' A' ' 10' ' ' GLY . 3.7 ptt180 -75.27 43.09 0.21 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.078 -0.51 . . . . 74.450000000000003 110.927 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.492 ' CG ' ' N ' ' A' ' 6' ' ' ARG . 7.8 ptm180 -74.05 -47.27 37.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 70.439999999999998 110.909 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.558 ' HB2' ' HD1' ' A' ' 7' ' ' PHE . 6.8 mtm180 -82.18 -60.19 2.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 73.299999999999997 110.883 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.817 ' CD2' HG13 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -134.41 -80.74 0.45 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 70.530000000000001 110.847 -179.918 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.817 HG13 ' CD2' ' A' ' 7' ' ' PHE . 1.6 m -133.09 7.83 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 62.100000000000001 111.142 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.835 HG23 ' O ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -43.56 -5.58 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.153 -0.476 . . . . 52.200000000000003 111.119 179.908 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.697 ' N ' ' O ' ' A' ' 8' ' ' VAL . . . -38.02 -25.93 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.768 -0.73 . . . . 73.219999999999999 112.506 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.513 ' N ' ' O ' ' A' ' 9' ' ' VAL . 1.1 ptm180 . . . . . 0 C--N 1.329 -0.29 0 CA-C-O 120.808 0.337 . . . . 72.450000000000003 110.898 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 1' ' ' ARG . . . . . 0.453 ' O ' ' O ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.86 0.362 . . . . 60.439999999999998 110.885 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.545 ' HA ' ' O ' ' A' ' 9' ' ' VAL . 0.3 OUTLIER -107.44 50.99 0.75 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 71.120000000000005 110.934 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.833 ' O ' HG23 ' A' ' 9' ' ' VAL . 30.1 p90 -139.53 115.71 10.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 74.109999999999999 110.954 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.506 ' N ' ' HA2' ' A' ' 10' ' ' GLY . 0.0 OUTLIER -75.31 43.11 0.22 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 74.239999999999995 110.856 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.485 ' CG ' ' N ' ' A' ' 6' ' ' ARG . 7.2 ptm180 -74.08 -47.27 37.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 74.030000000000001 110.901 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.552 ' HB2' ' HD1' ' A' ' 7' ' ' PHE . 6.8 mtm180 -82.14 -60.29 2.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 63.420000000000002 110.908 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.82 ' CD2' HG13 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -134.33 -80.63 0.45 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 74.450000000000003 110.906 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.82 HG13 ' CD2' ' A' ' 7' ' ' PHE . 1.6 m -133.11 7.74 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 61.530000000000001 111.119 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.833 HG23 ' O ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -43.57 -5.5 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.168 -0.469 . . . . 65.209999999999994 111.164 179.95 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.705 ' N ' ' O ' ' A' ' 8' ' ' VAL . . . -38.15 -25.88 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.738 -0.744 . . . . 63.399999999999999 112.453 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.509 ' N ' ' O ' ' A' ' 9' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-O 120.814 0.34 . . . . 71.25 110.886 -179.829 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 1' ' ' ARG . . . . . 0.47 ' O ' ' O ' ' A' ' 9' ' ' VAL . 9.9 mtm180 . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.84 0.353 . . . . 73.299999999999997 110.858 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.545 ' HA ' ' O ' ' A' ' 9' ' ' VAL . 0.3 OUTLIER -107.14 51.06 0.75 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 74.219999999999999 110.892 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.846 ' O ' HG23 ' A' ' 9' ' ' VAL . 29.9 p90 -139.6 115.75 10.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 73.25 110.89 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.507 ' N ' ' HA2' ' A' ' 10' ' ' GLY . 1.8 ptt-85 -75.41 43.88 0.25 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.092 -0.503 . . . . 71.530000000000001 110.885 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.486 ' CG ' ' N ' ' A' ' 6' ' ' ARG . 7.9 ptm180 -74.95 -47.23 30.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 74.120000000000005 110.874 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.549 ' HB2' ' HD1' ' A' ' 7' ' ' PHE . 6.6 mtm180 -82.21 -59.96 2.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 72.409999999999997 110.874 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.813 ' CD2' HG13 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -134.56 -80.62 0.45 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 71.120000000000005 110.85 -179.933 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.813 HG13 ' CD2' ' A' ' 7' ' ' PHE . 1.6 m -133.24 7.64 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 54.130000000000003 111.122 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.846 HG23 ' O ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -43.28 -5.92 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 62.5 111.172 179.903 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.706 ' N ' ' O ' ' A' ' 8' ' ' VAL . . . -37.75 -26.08 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.764 -0.731 . . . . 73.150000000000006 112.481 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.517 ' N ' ' O ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-O 120.809 0.338 . . . . 75.310000000000002 110.851 -179.841 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 1' ' ' ARG . . . . . 0.469 ' O ' ' O ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.883 0.373 . . . . 75.239999999999995 110.887 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.54 ' HA ' ' O ' ' A' ' 9' ' ' VAL . 0.3 OUTLIER -107.37 50.84 0.76 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.453 . . . . 71.310000000000002 110.939 -179.957 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.839 ' O ' HG23 ' A' ' 9' ' ' VAL . 30.2 p90 -139.54 115.73 10.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 74.25 110.927 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.499 ' N ' ' HA2' ' A' ' 10' ' ' GLY . 2.3 ptt-85 -75.37 43.17 0.22 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.484 . . . . 62.439999999999998 110.826 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.492 ' CG ' ' N ' ' A' ' 6' ' ' ARG . 7.4 ptm180 -74.12 -47.31 37.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 75.439999999999998 110.862 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.556 ' HB2' ' HD1' ' A' ' 7' ' ' PHE . 6.9 mtm180 -82.14 -60.23 2.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 73.129999999999995 110.89 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.82 ' CD2' HG13 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -134.4 -80.71 0.45 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 63.409999999999997 110.831 -179.889 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.82 HG13 ' CD2' ' A' ' 7' ' ' PHE . 1.6 m -133.1 7.84 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.132 -0.486 . . . . 61.130000000000003 111.102 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.839 HG23 ' O ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -43.61 -5.51 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.185 -0.461 . . . . 74.030000000000001 111.134 179.935 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.705 ' N ' ' O ' ' A' ' 8' ' ' VAL . . . -38.16 -25.87 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.687 -0.768 . . . . 72.439999999999998 112.489 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.51 ' N ' ' O ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-O 120.777 0.322 . . . . 74.439999999999998 110.899 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 1' ' ' ARG . . . . . 0.426 ' O ' ' O ' ' A' ' 9' ' ' VAL . 11.4 ptt-85 . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.85 0.357 . . . . 45.219999999999999 110.854 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.534 ' HA ' ' O ' ' A' ' 9' ' ' VAL . 0.3 OUTLIER -105.91 52.43 0.73 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 74.540000000000006 110.908 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.775 ' O ' HG23 ' A' ' 9' ' ' VAL . 20.5 p90 -140.33 117.64 11.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 75.140000000000001 110.91 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.496 ' N ' ' HA2' ' A' ' 10' ' ' GLY . 0.0 OUTLIER -73.81 37.4 0.1 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.127 -0.488 . . . . 71.239999999999995 110.87 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.478 ' CG ' ' N ' ' A' ' 6' ' ' ARG . 7.0 ptm180 -67.69 -46.61 71.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 75.030000000000001 110.839 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.478 ' N ' ' CG ' ' A' ' 5' ' ' ARG . 3.3 mmt85 -82.58 -61.82 1.78 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 60.119999999999997 110.855 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.79 ' CD2' HG13 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -135.37 -78.9 0.44 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 64.209999999999994 110.94 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.79 HG13 ' CD2' ' A' ' 7' ' ' PHE . 1.7 m -132.09 6.44 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 72.439999999999998 111.139 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.775 HG23 ' O ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -43.7 -4.67 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 73.209999999999994 111.144 179.9 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.72 ' N ' ' O ' ' A' ' 8' ' ' VAL . . . -38.64 -25.57 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.763 -0.732 . . . . 55.119999999999997 112.46 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.495 ' N ' ' O ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-O 120.839 0.352 . . . . 74.299999999999997 110.9 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.428 ' O ' ' O ' ' A' ' 9' ' ' VAL . 6.9 mtt180 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.849 0.356 . . . . 73.209999999999994 110.869 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.537 ' HA ' ' O ' ' A' ' 9' ' ' VAL . 0.3 OUTLIER -105.94 52.27 0.73 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 63.020000000000003 110.952 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.769 ' O ' HG23 ' A' ' 9' ' ' VAL . 20.9 p90 -140.04 117.55 11.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 73.040000000000006 110.931 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.507 ' N ' ' HA2' ' A' ' 10' ' ' GLY . 0.8 OUTLIER -73.91 38.34 0.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.095 -0.502 . . . . 74.219999999999999 110.871 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.481 ' CG ' ' N ' ' A' ' 6' ' ' ARG . 7.3 ptm180 -68.71 -46.67 68.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 64.040000000000006 110.855 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.481 ' N ' ' CG ' ' A' ' 5' ' ' ARG . 5.6 mmt85 -82.51 -61.8 1.79 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 72.109999999999999 110.884 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.781 ' CD2' HG13 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -135.42 -79.04 0.43 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 73.129999999999995 110.884 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.781 HG13 ' CD2' ' A' ' 7' ' ' PHE . 1.7 m -131.94 6.45 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 74.340000000000003 111.131 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.769 HG23 ' O ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -43.82 -4.43 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 75.140000000000001 111.161 179.9 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.709 ' N ' ' O ' ' A' ' 8' ' ' VAL . . . -38.93 -25.13 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.782 -0.723 . . . . 44.210000000000001 112.483 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.501 ' N ' ' O ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.338 0 CA-C-O 120.758 0.313 . . . . 72.450000000000003 110.933 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.446 ' O ' ' O ' ' A' ' 9' ' ' VAL . 5.5 ptp180 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.822 0.344 . . . . 74.120000000000005 110.821 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.584 HD23 ' H ' ' A' ' 2' ' ' LEU . 1.2 pt? -107.0 50.63 0.76 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 52.340000000000003 110.909 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.768 ' O ' HG23 ' A' ' 9' ' ' VAL . 18.9 p90 -140.77 118.04 11.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 74.239999999999995 110.896 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.5 ' N ' ' HA2' ' A' ' 10' ' ' GLY . 0.2 OUTLIER -73.66 37.8 0.1 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.111 -0.495 . . . . 64.230000000000004 110.858 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.483 ' CG ' ' N ' ' A' ' 6' ' ' ARG . 6.5 ptm180 -68.31 -46.8 69.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 71.430000000000007 110.86 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.483 ' N ' ' CG ' ' A' ' 5' ' ' ARG . 16.8 mmm-85 -82.4 -61.85 1.78 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 63.140000000000001 110.857 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.782 ' CD2' HG13 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -135.55 -78.89 0.43 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 64.409999999999997 110.868 -179.923 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.782 HG13 ' CD2' ' A' ' 7' ' ' PHE . 1.8 m -132.01 6.5 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 71.0 111.117 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.768 HG23 ' O ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -43.93 -4.35 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 64.349999999999994 111.096 179.897 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.71 ' N ' ' O ' ' A' ' 8' ' ' VAL . . . -38.74 -25.6 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.757 -0.735 . . . . 74.439999999999998 112.427 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.499 ' N ' ' O ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-O 120.826 0.346 . . . . 73.230000000000004 110.862 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.429 ' O ' ' O ' ' A' ' 9' ' ' VAL . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.178 0 CA-C-O 120.827 0.346 . . . . 64.219999999999999 110.844 . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.539 ' HA ' ' O ' ' A' ' 9' ' ' VAL . 0.4 OUTLIER -105.88 52.38 0.73 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.454 . . . . 61.340000000000003 110.911 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.771 ' O ' HG23 ' A' ' 9' ' ' VAL . 20.9 p90 -140.01 117.53 11.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 74.530000000000001 110.923 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.507 ' N ' ' HA2' ' A' ' 10' ' ' GLY . 0.3 OUTLIER -73.9 38.32 0.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 71.430000000000007 110.885 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.479 ' CG ' ' N ' ' A' ' 6' ' ' ARG . 6.8 ptm180 -68.7 -46.6 68.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 75.150000000000006 110.891 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.479 ' N ' ' CG ' ' A' ' 5' ' ' ARG . 7.3 mmt85 -82.51 -61.8 1.79 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 73.230000000000004 110.882 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.783 ' CD2' HG13 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -135.44 -79.08 0.43 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 62.420000000000002 110.829 -179.873 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.783 HG13 ' CD2' ' A' ' 7' ' ' PHE . 1.7 m -131.93 6.5 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 62.039999999999999 111.155 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.771 HG23 ' O ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -43.84 -4.42 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.489 . . . . 63.229999999999997 111.113 179.937 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.716 ' N ' ' O ' ' A' ' 8' ' ' VAL . . . -39.14 -24.98 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.736 -0.745 . . . . 72.439999999999998 112.434 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.499 ' N ' ' O ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.321 0 CA-C-O 120.81 0.338 . . . . 63.43 110.826 -179.836 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.444 ' O ' ' O ' ' A' ' 9' ' ' VAL . 6.3 ptp180 . . . . . 0 C--O 1.232 0.184 0 CA-C-O 120.785 0.326 . . . . 74.530000000000001 110.847 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.584 HD23 ' H ' ' A' ' 2' ' ' LEU . 1.2 pt? -106.98 50.6 0.76 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 72.120000000000005 110.889 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.778 ' O ' HG23 ' A' ' 9' ' ' VAL . 19.0 p90 -140.75 117.98 11.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.456 . . . . 72.129999999999995 110.905 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.499 ' N ' ' HA2' ' A' ' 10' ' ' GLY . 1.8 ptt85 -73.69 37.78 0.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 63.439999999999998 110.926 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.475 ' CG ' ' N ' ' A' ' 6' ' ' ARG . 6.8 ptm180 -68.26 -46.81 69.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 74.109999999999999 110.877 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.475 ' N ' ' CG ' ' A' ' 5' ' ' ARG . 3.0 mmt85 -82.38 -61.84 1.78 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 63.0 110.882 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.789 ' CD2' HG13 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -135.54 -78.91 0.43 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 71.200000000000003 110.811 -179.895 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.789 HG13 ' CD2' ' A' ' 7' ' ' PHE . 1.8 m -132.04 6.54 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.48 . . . . 74.109999999999999 111.096 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.778 HG23 ' O ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -43.93 -4.36 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 41.200000000000003 111.1 179.895 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.715 ' N ' ' O ' ' A' ' 8' ' ' VAL . . . -38.79 -25.53 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.712 -0.756 . . . . 63.310000000000002 112.55 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.495 ' N ' ' O ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-O 120.81 0.338 . . . . 72.120000000000005 110.841 -179.836 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.428 ' O ' ' O ' ' A' ' 9' ' ' VAL . 18.9 ptt-85 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.824 0.345 . . . . 72.129999999999995 110.891 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.533 ' HA ' ' O ' ' A' ' 9' ' ' VAL . 0.4 OUTLIER -106.11 52.21 0.73 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 65.340000000000003 110.872 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.778 ' O ' HG23 ' A' ' 9' ' ' VAL . 20.8 p90 -140.03 117.52 11.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 74.239999999999995 110.919 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.499 ' N ' ' HA2' ' A' ' 10' ' ' GLY . 1.6 ptt180 -73.95 38.38 0.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 70.219999999999999 110.901 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.473 ' CG ' ' N ' ' A' ' 6' ' ' ARG . 1.2 ptm85 -68.77 -46.58 68.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 55.039999999999999 110.902 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.473 ' N ' ' CG ' ' A' ' 5' ' ' ARG . 6.9 mmt85 -82.57 -61.79 1.79 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 63.299999999999997 110.847 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.79 ' CD2' HG13 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -135.44 -78.98 0.43 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 74.099999999999994 110.916 -179.943 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.79 HG13 ' CD2' ' A' ' 7' ' ' PHE . 1.7 m -132.0 6.51 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 73.420000000000002 111.123 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.778 HG23 ' O ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -43.89 -4.38 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 64.430000000000007 111.105 179.936 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.718 ' N ' ' O ' ' A' ' 8' ' ' VAL . . . -39.12 -24.97 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.769 -0.729 . . . . 55.039999999999999 112.443 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.5 ' N ' ' O ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.338 0 CA-C-O 120.779 0.323 . . . . 71.420000000000002 110.915 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.438 ' O ' ' O ' ' A' ' 9' ' ' VAL . 3.4 mpt_? . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.847 0.356 . . . . 74.200000000000003 110.892 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.585 HD23 ' H ' ' A' ' 2' ' ' LEU . 1.2 pt? -106.97 50.61 0.76 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 70.129999999999995 110.926 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.774 ' O ' HG23 ' A' ' 9' ' ' VAL . 19.1 p90 -140.71 117.98 11.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 73.430000000000007 110.936 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.51 ' N ' ' HA2' ' A' ' 10' ' ' GLY . 0.1 OUTLIER -73.75 37.74 0.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 71.329999999999998 110.881 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.478 ' CG ' ' N ' ' A' ' 6' ' ' ARG . 1.3 ptm85 -68.19 -46.75 69.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 72.200000000000003 110.893 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.478 ' N ' ' CG ' ' A' ' 5' ' ' ARG . 7.8 mmt85 -82.44 -61.89 1.77 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 74.510000000000005 110.852 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.79 ' CD2' HG13 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -135.55 -78.93 0.43 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.455 . . . . 75.439999999999998 110.842 -179.897 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.79 HG13 ' CD2' ' A' ' 7' ' ' PHE . 1.7 m -131.94 6.47 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.158 -0.474 . . . . 72.120000000000005 111.099 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.774 HG23 ' O ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -43.99 -4.31 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 74.400000000000006 111.133 179.96 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.715 ' N ' ' O ' ' A' ' 8' ' ' VAL . . . -38.8 -25.55 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.749 -0.738 . . . . 74.299999999999997 112.502 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.488 ' N ' ' O ' ' A' ' 9' ' ' VAL . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-O 120.788 0.327 . . . . 74.430000000000007 110.854 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.437 ' O ' ' O ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.823 0.344 . . . . 55.399999999999999 110.897 . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.585 HD23 ' H ' ' A' ' 2' ' ' LEU . 1.2 pt? -106.98 50.66 0.76 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 74.439999999999998 110.899 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.772 ' O ' HG23 ' A' ' 9' ' ' VAL . 19.1 p90 -140.74 118.0 11.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 74.420000000000002 110.897 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.502 ' N ' ' HA2' ' A' ' 10' ' ' GLY . 0.7 OUTLIER -73.75 37.84 0.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 73.0 110.871 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.478 ' CG ' ' N ' ' A' ' 6' ' ' ARG . 1.2 ptm85 -68.39 -46.63 69.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 72.530000000000001 110.894 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.478 ' N ' ' CG ' ' A' ' 5' ' ' ARG . 1.4 mmt-85 -82.49 -61.87 1.77 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 54.520000000000003 110.863 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.795 ' CD2' HG13 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -135.54 -78.86 0.43 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 74.200000000000003 110.852 -179.93 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.795 HG13 ' CD2' ' A' ' 7' ' ' PHE . 1.7 m -131.98 6.44 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 65.109999999999999 111.15 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.772 HG23 ' O ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -43.94 -4.37 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 73.129999999999995 111.146 179.938 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.719 ' N ' ' O ' ' A' ' 8' ' ' VAL . . . -38.8 -25.57 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.763 -0.732 . . . . 52.32 112.453 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.491 ' N ' ' O ' ' A' ' 9' ' ' VAL . 2.7 ptm180 . . . . . 0 C--N 1.329 -0.312 0 CA-C-O 120.786 0.327 . . . . 73.239999999999995 110.888 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.443 ' O ' ' O ' ' A' ' 9' ' ' VAL . 28.6 ptt180 . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.823 0.344 . . . . 74.530000000000001 110.858 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.581 HD23 ' H ' ' A' ' 2' ' ' LEU . 1.2 pt? -107.13 50.45 0.77 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 73.400000000000006 110.926 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.782 ' O ' HG23 ' A' ' 9' ' ' VAL . 19.1 p90 -140.67 117.87 11.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.476 . . . . 71.5 110.943 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.501 ' N ' ' HA2' ' A' ' 10' ' ' GLY . 0.0 OUTLIER -73.94 38.37 0.1 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.102 -0.499 . . . . 72.109999999999999 110.867 -179.932 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.477 ' CG ' ' N ' ' A' ' 6' ' ' ARG . 18.9 ptt180 -68.99 -46.69 67.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.452 . . . . 74.239999999999995 110.86 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.477 ' N ' ' CG ' ' A' ' 5' ' ' ARG . 21.0 mmt180 -82.28 -61.49 1.88 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 63.420000000000002 110.865 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.784 ' CD2' HG13 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -135.78 -78.69 0.43 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 74.439999999999998 110.868 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.784 HG13 ' CD2' ' A' ' 7' ' ' PHE . 1.7 m -132.4 6.48 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 74.129999999999995 111.146 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.782 HG23 ' O ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -43.9 -4.33 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 62.119999999999997 111.132 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.716 ' N ' ' O ' ' A' ' 8' ' ' VAL . . . -38.69 -25.61 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.727 -0.749 . . . . 75.040000000000006 112.505 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.489 ' N ' ' O ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-O 120.819 0.342 . . . . 75.5 110.918 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.431 ' O ' ' O ' ' A' ' 9' ' ' VAL . 3.4 mtm180 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.806 0.336 . . . . 74.420000000000002 110.846 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.588 HD23 ' H ' ' A' ' 2' ' ' LEU . 1.2 pt? -106.89 50.81 0.76 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.194 -0.457 . . . . 71.329999999999998 110.909 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.775 ' O ' HG23 ' A' ' 9' ' ' VAL . 18.7 p90 -140.96 118.14 11.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 72.129999999999995 110.902 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.509 ' N ' ' HA2' ' A' ' 10' ' ' GLY . 8.0 ptt-85 -73.78 37.79 0.1 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.071 -0.513 . . . . 72.150000000000006 110.84 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.475 ' CG ' ' N ' ' A' ' 6' ' ' ARG . 1.2 ptm85 -68.31 -46.78 69.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 75.25 110.886 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.475 ' N ' ' CG ' ' A' ' 5' ' ' ARG . 5.9 mmt85 -82.37 -61.91 1.76 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 73.319999999999993 110.854 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.789 ' CD2' HG13 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -135.46 -78.81 0.43 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 71.200000000000003 110.923 -179.949 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.789 HG13 ' CD2' ' A' ' 7' ' ' PHE . 1.7 m -132.11 6.42 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 75.319999999999993 111.133 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.775 HG23 ' O ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -43.8 -4.58 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 72.209999999999994 111.113 179.93 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.72 ' N ' ' O ' ' A' ' 8' ' ' VAL . . . -38.34 -26.1 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.72 -0.752 . . . . 72.049999999999997 112.501 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.49 ' N ' ' O ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-O 120.77 0.319 . . . . 73.400000000000006 110.841 -179.807 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.467 ' O ' ' O ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.864 0.364 . . . . 75.409999999999997 110.895 . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.547 ' HA ' ' O ' ' A' ' 9' ' ' VAL . 0.3 OUTLIER -107.24 51.13 0.75 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 64.25 110.96 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.83 ' O ' HG23 ' A' ' 9' ' ' VAL . 29.9 p90 -139.62 115.72 10.37 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.195 -0.457 . . . . 72.310000000000002 110.909 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.508 ' N ' ' HA2' ' A' ' 10' ' ' GLY . 0.1 OUTLIER -75.31 43.2 0.22 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.079 -0.51 . . . . 74.219999999999999 110.87 -179.941 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.486 ' CG ' ' N ' ' A' ' 6' ' ' ARG . 7.9 ptm180 -73.96 -47.1 39.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 73.420000000000002 110.887 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.543 ' HB2' ' HD1' ' A' ' 7' ' ' PHE . 0.4 OUTLIER -82.51 -60.23 2.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 71.420000000000002 110.878 -179.916 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.801 ' CD2' HG13 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -134.23 -80.83 0.45 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 64.510000000000005 110.869 -179.934 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.801 HG13 ' CD2' ' A' ' 7' ' ' PHE . 1.6 m -132.99 7.81 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.468 . . . . 63.299999999999997 111.164 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.83 HG23 ' O ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -43.5 -5.62 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 74.340000000000003 111.137 179.895 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.711 ' N ' ' O ' ' A' ' 8' ' ' VAL . . . -38.17 -25.79 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.777 -0.725 . . . . 64.450000000000003 112.488 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.503 ' N ' ' O ' ' A' ' 9' ' ' VAL . 3.4 ptm180 . . . . . 0 C--N 1.329 -0.283 0 CA-C-O 120.744 0.307 . . . . 73.450000000000003 110.877 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.46 ' O ' ' O ' ' A' ' 9' ' ' VAL . 62.8 mtp85 . . . . . 0 C--O 1.232 0.184 0 CA-C-O 120.82 0.343 . . . . 54.32 110.901 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.546 ' HA ' ' O ' ' A' ' 9' ' ' VAL . 0.3 OUTLIER -107.34 50.96 0.75 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 71.019999999999996 110.948 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.84 ' O ' HG23 ' A' ' 9' ' ' VAL . 29.8 p90 -139.5 115.67 10.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 74.109999999999999 110.941 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.511 ' N ' ' HA2' ' A' ' 10' ' ' GLY . 2.8 ptp180 -75.21 43.13 0.21 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 61.530000000000001 110.877 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.483 ' CG ' ' N ' ' A' ' 6' ' ' ARG . 1.4 ptm85 -74.02 -47.15 38.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 75.140000000000001 110.855 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.549 ' HB2' ' HD1' ' A' ' 7' ' ' PHE . 20.0 mtp180 -82.42 -60.29 2.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 74.109999999999999 110.88 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.798 ' CD2' HG13 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -134.22 -80.7 0.45 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 72.030000000000001 110.882 -179.952 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.798 HG13 ' CD2' ' A' ' 7' ' ' PHE . 1.6 m -133.09 7.76 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 72.209999999999994 111.092 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.84 HG23 ' O ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -43.54 -5.56 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 44.210000000000001 111.143 179.956 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.709 ' N ' ' O ' ' A' ' 8' ' ' VAL . . . -38.07 -25.81 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.756 -0.735 . . . . 61.329999999999998 112.491 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.504 ' N ' ' O ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-O 120.789 0.328 . . . . 32.100000000000001 110.888 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.455 ' O ' ' O ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.233 0.186 0 CA-C-O 120.845 0.355 . . . . 64.420000000000002 110.847 . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.546 ' HA ' ' O ' ' A' ' 9' ' ' VAL . 0.3 OUTLIER -107.34 50.9 0.76 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.195 -0.457 . . . . 61.219999999999999 110.946 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.833 ' O ' HG23 ' A' ' 9' ' ' VAL . 30.0 p90 -139.54 115.79 10.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 64.340000000000003 110.888 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.503 ' N ' ' HA2' ' A' ' 10' ' ' GLY . 7.0 ptm180 -75.25 43.11 0.21 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.498 . . . . 72.430000000000007 110.871 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.481 ' CG ' ' N ' ' A' ' 6' ' ' ARG . 7.7 ptm180 -74.15 -47.28 36.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 75.349999999999994 110.843 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.554 ' HB2' ' HD1' ' A' ' 7' ' ' PHE . 6.8 mtm180 -82.19 -60.2 2.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 73.120000000000005 110.883 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.819 ' CD2' HG13 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -134.33 -80.7 0.45 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 71.030000000000001 110.902 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.819 HG13 ' CD2' ' A' ' 7' ' ' PHE . 1.6 m -133.14 7.83 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.493 . . . . 72.239999999999995 111.115 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.833 HG23 ' O ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -43.57 -5.53 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 65.299999999999997 111.123 179.905 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.699 ' N ' ' O ' ' A' ' 8' ' ' VAL . . . -38.05 -25.83 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.726 -0.75 . . . . 24.32 112.477 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.515 ' N ' ' O ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-O 120.793 0.33 . . . . 63.350000000000001 110.882 -179.838 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.466 ' O ' ' O ' ' A' ' 9' ' ' VAL . 7.7 ptm180 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.874 0.368 . . . . 74.420000000000002 110.87 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.546 ' HA ' ' O ' ' A' ' 9' ' ' VAL . 0.3 OUTLIER -107.33 50.93 0.76 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 65.299999999999997 110.961 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.84 ' O ' HG23 ' A' ' 9' ' ' VAL . 30.0 p90 -139.54 115.74 10.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.458 . . . . 75.219999999999999 110.916 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.5 ' N ' ' HA2' ' A' ' 10' ' ' GLY . 0.1 OUTLIER -75.32 43.18 0.22 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 71.540000000000006 110.904 -179.96 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.492 ' CG ' ' N ' ' A' ' 6' ' ' ARG . 7.6 ptm180 -74.1 -47.27 37.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 64.030000000000001 110.899 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.558 ' HB2' ' HD1' ' A' ' 7' ' ' PHE . 6.9 mtm180 -82.22 -60.17 2.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 62.020000000000003 110.861 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.823 ' CD2' HG13 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -134.39 -80.76 0.45 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 63.039999999999999 110.83 -179.881 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.823 HG13 ' CD2' ' A' ' 7' ' ' PHE . 1.6 m -133.12 7.86 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 74.209999999999994 111.116 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.84 HG23 ' O ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -43.55 -5.6 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 73.409999999999997 111.166 179.875 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.703 ' N ' ' O ' ' A' ' 8' ' ' VAL . . . -38.0 -25.88 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.725 -0.75 . . . . 71.010000000000005 112.509 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.514 ' N ' ' O ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-O 120.766 0.317 . . . . 73.230000000000004 110.863 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.423 ' O ' ' O ' ' A' ' 9' ' ' VAL . 5.5 mtt180 . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.849 0.357 . . . . 75.109999999999999 110.855 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.532 ' HA ' ' O ' ' A' ' 9' ' ' VAL . 0.3 OUTLIER -105.79 52.23 0.74 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 73.209999999999994 110.905 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.796 ' O ' HG23 ' A' ' 9' ' ' VAL . 24.3 p90 -139.37 117.1 11.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 74.109999999999999 110.895 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.516 ' N ' ' HA2' ' A' ' 10' ' ' GLY . 1.0 OUTLIER -74.74 40.67 0.14 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.081 -0.508 . . . . 72.030000000000001 110.875 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.495 ' CG ' ' N ' ' A' ' 6' ' ' ARG . 6.4 ptm180 -71.37 -47.7 54.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 73.040000000000006 110.84 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.499 ' HB2' ' HD1' ' A' ' 7' ' ' PHE . 2.3 mmp_? -81.05 -61.1 2.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 75.409999999999997 110.864 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.78 ' CD2' HG13 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -135.3 -79.37 0.43 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 70.400000000000006 110.879 -179.936 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.78 HG13 ' CD2' ' A' ' 7' ' ' PHE . 1.7 m -132.83 7.37 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.489 . . . . 64.319999999999993 111.093 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.796 HG23 ' O ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -44.22 -4.23 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 75.129999999999995 111.118 179.95 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.713 ' N ' ' O ' ' A' ' 8' ' ' VAL . . . -38.71 -25.22 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.745 -0.741 . . . . 63.520000000000003 112.437 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.497 ' N ' ' O ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-O 120.782 0.325 . . . . 75.099999999999994 110.865 -179.844 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.453 ' O ' ' O ' ' A' ' 9' ' ' VAL . 6.3 mmt85 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.863 0.363 . . . . 71.340000000000003 110.888 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.54 ' HA ' ' O ' ' A' ' 9' ' ' VAL . 0.3 OUTLIER -107.45 50.88 0.76 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 74.439999999999998 110.934 -179.946 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.845 ' O ' HG23 ' A' ' 9' ' ' VAL . 30.1 p90 -139.57 115.75 10.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 62.25 110.919 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.512 ' N ' ' HA2' ' A' ' 10' ' ' GLY . 0.6 OUTLIER -75.35 43.17 0.22 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.073 -0.512 . . . . 74.400000000000006 110.865 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.481 ' CG ' ' N ' ' A' ' 6' ' ' ARG . 7.4 ptm180 -74.11 -47.3 37.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 74.219999999999999 110.863 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.538 ' HB2' ' HD1' ' A' ' 7' ' ' PHE . 6.7 mtm180 -82.12 -60.29 2.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.434 . . . . 71.109999999999999 110.884 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.813 ' CD2' HG13 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -134.29 -80.7 0.45 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 64.109999999999999 110.874 -179.928 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.813 HG13 ' CD2' ' A' ' 7' ' ' PHE . 1.6 m -133.11 7.85 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.124 -0.489 . . . . 70.310000000000002 111.118 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.845 HG23 ' O ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -43.64 -5.5 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 73.439999999999998 111.08 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.704 ' N ' ' O ' ' A' ' 8' ' ' VAL . . . -38.16 -25.87 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.736 -0.745 . . . . 51.409999999999997 112.487 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.506 ' N ' ' O ' ' A' ' 9' ' ' VAL . 3.2 ptm180 . . . . . 0 C--N 1.329 -0.307 0 CA-C-O 120.778 0.323 . . . . 75.140000000000001 110.871 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.464 ' O ' ' O ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.86 0.362 . . . . 72.319999999999993 110.854 . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.545 ' HA ' ' O ' ' A' ' 9' ' ' VAL . 0.3 OUTLIER -107.17 51.03 0.75 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 70.349999999999994 110.926 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.835 ' O ' HG23 ' A' ' 9' ' ' VAL . 30.1 p90 -139.6 115.75 10.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 72.040000000000006 110.92 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.508 ' N ' ' HA2' ' A' ' 10' ' ' GLY . 3.7 ptt180 -75.27 43.09 0.21 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.078 -0.51 . . . . 74.450000000000003 110.927 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.492 ' CG ' ' N ' ' A' ' 6' ' ' ARG . 7.8 ptm180 -74.05 -47.27 37.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 70.439999999999998 110.909 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.558 ' HB2' ' HD1' ' A' ' 7' ' ' PHE . 6.8 mtm180 -82.18 -60.19 2.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 73.299999999999997 110.883 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.817 ' CD2' HG13 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -134.41 -80.74 0.45 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 70.530000000000001 110.847 -179.918 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.817 HG13 ' CD2' ' A' ' 7' ' ' PHE . 1.6 m -133.09 7.83 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 62.100000000000001 111.142 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.835 HG23 ' O ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -43.56 -5.58 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.153 -0.476 . . . . 52.200000000000003 111.119 179.908 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.697 ' N ' ' O ' ' A' ' 8' ' ' VAL . . . -38.02 -25.93 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.768 -0.73 . . . . 73.219999999999999 112.506 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.513 ' N ' ' O ' ' A' ' 9' ' ' VAL . 1.1 ptm180 . . . . . 0 C--N 1.329 -0.29 0 CA-C-O 120.808 0.337 . . . . 72.450000000000003 110.898 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.453 ' O ' ' O ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.86 0.362 . . . . 60.439999999999998 110.885 . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.545 ' HA ' ' O ' ' A' ' 9' ' ' VAL . 0.3 OUTLIER -107.44 50.99 0.75 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 71.120000000000005 110.934 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.833 ' O ' HG23 ' A' ' 9' ' ' VAL . 30.1 p90 -139.53 115.71 10.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 74.109999999999999 110.954 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.506 ' N ' ' HA2' ' A' ' 10' ' ' GLY . 0.0 OUTLIER -75.31 43.11 0.22 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 74.239999999999995 110.856 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.485 ' CG ' ' N ' ' A' ' 6' ' ' ARG . 7.2 ptm180 -74.08 -47.27 37.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 74.030000000000001 110.901 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.552 ' HB2' ' HD1' ' A' ' 7' ' ' PHE . 6.8 mtm180 -82.14 -60.29 2.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 63.420000000000002 110.908 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.82 ' CD2' HG13 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -134.33 -80.63 0.45 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 74.450000000000003 110.906 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.82 HG13 ' CD2' ' A' ' 7' ' ' PHE . 1.6 m -133.11 7.74 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 61.530000000000001 111.119 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.833 HG23 ' O ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -43.57 -5.5 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.168 -0.469 . . . . 65.209999999999994 111.164 179.95 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.705 ' N ' ' O ' ' A' ' 8' ' ' VAL . . . -38.15 -25.88 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.738 -0.744 . . . . 63.399999999999999 112.453 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.509 ' N ' ' O ' ' A' ' 9' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-O 120.814 0.34 . . . . 71.25 110.886 -179.829 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.47 ' O ' ' O ' ' A' ' 9' ' ' VAL . 9.9 mtm180 . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.84 0.353 . . . . 73.299999999999997 110.858 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.545 ' HA ' ' O ' ' A' ' 9' ' ' VAL . 0.3 OUTLIER -107.14 51.06 0.75 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 74.219999999999999 110.892 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.846 ' O ' HG23 ' A' ' 9' ' ' VAL . 29.9 p90 -139.6 115.75 10.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 73.25 110.89 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.507 ' N ' ' HA2' ' A' ' 10' ' ' GLY . 1.8 ptt-85 -75.41 43.88 0.25 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.092 -0.503 . . . . 71.530000000000001 110.885 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.486 ' CG ' ' N ' ' A' ' 6' ' ' ARG . 7.9 ptm180 -74.95 -47.23 30.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 74.120000000000005 110.874 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.549 ' HB2' ' HD1' ' A' ' 7' ' ' PHE . 6.6 mtm180 -82.21 -59.96 2.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 72.409999999999997 110.874 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.813 ' CD2' HG13 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -134.56 -80.62 0.45 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 71.120000000000005 110.85 -179.933 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.813 HG13 ' CD2' ' A' ' 7' ' ' PHE . 1.6 m -133.24 7.64 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 54.130000000000003 111.122 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.846 HG23 ' O ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -43.28 -5.92 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 62.5 111.172 179.903 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.706 ' N ' ' O ' ' A' ' 8' ' ' VAL . . . -37.75 -26.08 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.764 -0.731 . . . . 73.150000000000006 112.481 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.517 ' N ' ' O ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-O 120.809 0.338 . . . . 75.310000000000002 110.851 -179.841 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.469 ' O ' ' O ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.883 0.373 . . . . 75.239999999999995 110.887 . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.54 ' HA ' ' O ' ' A' ' 9' ' ' VAL . 0.3 OUTLIER -107.37 50.84 0.76 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.453 . . . . 71.310000000000002 110.939 -179.957 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.839 ' O ' HG23 ' A' ' 9' ' ' VAL . 30.2 p90 -139.54 115.73 10.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 74.25 110.927 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.499 ' N ' ' HA2' ' A' ' 10' ' ' GLY . 2.3 ptt-85 -75.37 43.17 0.22 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.484 . . . . 62.439999999999998 110.826 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.492 ' CG ' ' N ' ' A' ' 6' ' ' ARG . 7.4 ptm180 -74.12 -47.31 37.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 75.439999999999998 110.862 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.556 ' HB2' ' HD1' ' A' ' 7' ' ' PHE . 6.9 mtm180 -82.14 -60.23 2.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 73.129999999999995 110.89 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.82 ' CD2' HG13 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -134.4 -80.71 0.45 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 63.409999999999997 110.831 -179.889 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.82 HG13 ' CD2' ' A' ' 7' ' ' PHE . 1.6 m -133.1 7.84 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.132 -0.486 . . . . 61.130000000000003 111.102 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.839 HG23 ' O ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -43.61 -5.51 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.185 -0.461 . . . . 74.030000000000001 111.134 179.935 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.705 ' N ' ' O ' ' A' ' 8' ' ' VAL . . . -38.16 -25.87 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.687 -0.768 . . . . 72.439999999999998 112.489 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.51 ' N ' ' O ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-O 120.777 0.322 . . . . 74.439999999999998 110.899 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.426 ' O ' ' O ' ' A' ' 9' ' ' VAL . 11.4 ptt-85 . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.85 0.357 . . . . 45.219999999999999 110.854 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.534 ' HA ' ' O ' ' A' ' 9' ' ' VAL . 0.3 OUTLIER -105.91 52.43 0.73 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 74.540000000000006 110.908 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.775 ' O ' HG23 ' A' ' 9' ' ' VAL . 20.5 p90 -140.33 117.64 11.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 75.140000000000001 110.91 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.496 ' N ' ' HA2' ' A' ' 10' ' ' GLY . 0.0 OUTLIER -73.81 37.4 0.1 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.127 -0.488 . . . . 71.239999999999995 110.87 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.478 ' CG ' ' N ' ' A' ' 6' ' ' ARG . 7.0 ptm180 -67.69 -46.61 71.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 75.030000000000001 110.839 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.478 ' N ' ' CG ' ' A' ' 5' ' ' ARG . 3.3 mmt85 -82.58 -61.82 1.78 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 60.119999999999997 110.855 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.79 ' CD2' HG13 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -135.37 -78.9 0.44 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 64.209999999999994 110.94 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.79 HG13 ' CD2' ' A' ' 7' ' ' PHE . 1.7 m -132.09 6.44 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 72.439999999999998 111.139 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.775 HG23 ' O ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -43.7 -4.67 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 73.209999999999994 111.144 179.9 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.72 ' N ' ' O ' ' A' ' 8' ' ' VAL . . . -38.64 -25.57 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.763 -0.732 . . . . 55.119999999999997 112.46 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.495 ' N ' ' O ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-O 120.839 0.352 . . . . 74.299999999999997 110.9 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . 0.428 ' O ' ' O ' ' A' ' 9' ' ' VAL . 6.9 mtt180 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.849 0.356 . . . . 73.21 110.869 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.537 ' HA ' ' O ' ' A' ' 9' ' ' VAL . 0.3 OUTLIER -105.94 52.27 0.73 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 63.02 110.952 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.769 ' O ' HG23 ' A' ' 9' ' ' VAL . 20.9 p90 -140.04 117.55 11.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 73.04 110.931 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.507 ' N ' ' HA2' ' A' ' 10' ' ' GLY . 0.8 OUTLIER -73.91 38.34 0.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.095 -0.502 . . . . 74.22 110.871 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.481 ' CG ' ' N ' ' A' ' 6' ' ' ARG . 7.3 ptm180 -68.71 -46.67 68.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 64.04 110.855 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.481 ' N ' ' CG ' ' A' ' 5' ' ' ARG . 5.6 mmt85 -82.51 -61.8 1.79 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 72.11 110.884 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.781 ' CD2' HG13 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -135.42 -79.04 0.43 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 73.13 110.884 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.781 HG13 ' CD2' ' A' ' 7' ' ' PHE . 1.7 m -131.94 6.45 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 74.34 111.131 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.769 HG23 ' O ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -43.82 -4.43 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 75.14 111.161 179.9 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.709 ' N ' ' O ' ' A' ' 8' ' ' VAL . . . -38.93 -25.13 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.782 -0.723 . . . . 44.21 112.483 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.501 ' N ' ' O ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.338 0 CA-C-O 120.758 0.313 . . . . 72.45 110.933 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . 0.446 ' O ' ' O ' ' A' ' 9' ' ' VAL . 5.5 ptp180 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.822 0.344 . . . . 74.12 110.821 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.584 ' H ' HD23 ' A' ' 2' ' ' LEU . 1.2 pt? -107.0 50.63 0.76 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 52.34 110.909 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.768 ' O ' HG23 ' A' ' 9' ' ' VAL . 18.9 p90 -140.77 118.04 11.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 74.24 110.896 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.5 ' N ' ' HA2' ' A' ' 10' ' ' GLY . 0.2 OUTLIER -73.66 37.8 0.1 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.111 -0.495 . . . . 64.23 110.858 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.483 ' CG ' ' N ' ' A' ' 6' ' ' ARG . 6.5 ptm180 -68.31 -46.8 69.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 71.43 110.86 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.483 ' N ' ' CG ' ' A' ' 5' ' ' ARG . 16.8 mmm-85 -82.4 -61.85 1.78 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 63.14 110.857 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.782 ' CD2' HG13 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -135.55 -78.89 0.43 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 64.41 110.868 -179.923 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.782 HG13 ' CD2' ' A' ' 7' ' ' PHE . 1.8 m -132.01 6.5 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 71.0 111.117 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.768 HG23 ' O ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -43.93 -4.35 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 64.35 111.096 179.897 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.71 ' N ' ' O ' ' A' ' 8' ' ' VAL . . . -38.74 -25.6 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.757 -0.735 . . . . 74.44 112.427 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.499 ' N ' ' O ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-O 120.826 0.346 . . . . 73.23 110.862 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . 0.429 ' O ' ' O ' ' A' ' 9' ' ' VAL . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.178 0 CA-C-O 120.827 0.346 . . . . 64.22 110.844 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.539 ' HA ' ' O ' ' A' ' 9' ' ' VAL . 0.4 OUTLIER -105.88 52.38 0.73 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.454 . . . . 61.34 110.911 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.771 ' O ' HG23 ' A' ' 9' ' ' VAL . 20.9 p90 -140.01 117.53 11.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 74.53 110.923 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.507 ' N ' ' HA2' ' A' ' 10' ' ' GLY . 0.3 OUTLIER -73.9 38.32 0.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 71.43 110.885 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.479 ' CG ' ' N ' ' A' ' 6' ' ' ARG . 6.8 ptm180 -68.7 -46.6 68.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 75.15 110.891 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.479 ' N ' ' CG ' ' A' ' 5' ' ' ARG . 7.3 mmt85 -82.51 -61.8 1.79 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 73.23 110.882 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.783 ' CD2' HG13 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -135.44 -79.08 0.43 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 62.42 110.829 -179.873 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.783 HG13 ' CD2' ' A' ' 7' ' ' PHE . 1.7 m -131.93 6.5 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 62.04 111.155 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.771 HG23 ' O ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -43.84 -4.42 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.489 . . . . 63.23 111.113 179.937 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.716 ' N ' ' O ' ' A' ' 8' ' ' VAL . . . -39.14 -24.98 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.736 -0.745 . . . . 72.44 112.434 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.499 ' N ' ' O ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.321 0 CA-C-O 120.81 0.338 . . . . 63.43 110.826 -179.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . 0.444 ' O ' ' O ' ' A' ' 9' ' ' VAL . 6.3 ptp180 . . . . . 0 C--O 1.232 0.184 0 CA-C-O 120.785 0.326 . . . . 74.53 110.847 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.584 ' H ' HD23 ' A' ' 2' ' ' LEU . 1.2 pt? -106.98 50.6 0.76 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 72.12 110.889 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.778 ' O ' HG23 ' A' ' 9' ' ' VAL . 19.0 p90 -140.75 117.98 11.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.456 . . . . 72.13 110.905 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.499 ' N ' ' HA2' ' A' ' 10' ' ' GLY . 1.8 ptt85 -73.69 37.78 0.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 63.44 110.926 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.475 ' CG ' ' N ' ' A' ' 6' ' ' ARG . 6.8 ptm180 -68.26 -46.81 69.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 74.11 110.877 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.475 ' N ' ' CG ' ' A' ' 5' ' ' ARG . 3.0 mmt85 -82.38 -61.84 1.78 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 63.0 110.882 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.789 ' CD2' HG13 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -135.54 -78.91 0.43 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 71.2 110.811 -179.895 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.789 HG13 ' CD2' ' A' ' 7' ' ' PHE . 1.8 m -132.04 6.54 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.48 . . . . 74.11 111.096 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.778 HG23 ' O ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -43.93 -4.36 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 41.2 111.1 179.895 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.715 ' N ' ' O ' ' A' ' 8' ' ' VAL . . . -38.79 -25.53 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.712 -0.756 . . . . 63.31 112.55 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.495 ' N ' ' O ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-O 120.81 0.338 . . . . 72.12 110.841 -179.836 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . 0.428 ' O ' ' O ' ' A' ' 9' ' ' VAL . 18.9 ptt-85 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.824 0.345 . . . . 72.13 110.891 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.533 ' HA ' ' O ' ' A' ' 9' ' ' VAL . 0.4 OUTLIER -106.11 52.21 0.73 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 65.34 110.872 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.778 ' O ' HG23 ' A' ' 9' ' ' VAL . 20.8 p90 -140.03 117.52 11.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 74.24 110.919 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.499 ' N ' ' HA2' ' A' ' 10' ' ' GLY . 1.6 ptt180 -73.95 38.38 0.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 70.22 110.901 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.473 ' CG ' ' N ' ' A' ' 6' ' ' ARG . 1.2 ptm85 -68.77 -46.58 68.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 55.04 110.902 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.473 ' N ' ' CG ' ' A' ' 5' ' ' ARG . 6.9 mmt85 -82.57 -61.79 1.79 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 63.3 110.847 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.79 ' CD2' HG13 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -135.44 -78.98 0.43 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 74.1 110.916 -179.943 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.79 HG13 ' CD2' ' A' ' 7' ' ' PHE . 1.7 m -132.0 6.51 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 73.42 111.123 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.778 HG23 ' O ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -43.89 -4.38 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 64.43 111.105 179.936 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.718 ' N ' ' O ' ' A' ' 8' ' ' VAL . . . -39.12 -24.97 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.769 -0.729 . . . . 55.04 112.443 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.5 ' N ' ' O ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.338 0 CA-C-O 120.779 0.323 . . . . 71.42 110.915 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . 0.438 ' O ' ' O ' ' A' ' 9' ' ' VAL . 3.4 mpt_? . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.847 0.356 . . . . 74.2 110.892 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.585 ' H ' HD23 ' A' ' 2' ' ' LEU . 1.2 pt? -106.97 50.61 0.76 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 70.13 110.926 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.774 ' O ' HG23 ' A' ' 9' ' ' VAL . 19.1 p90 -140.71 117.98 11.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 73.43 110.936 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.51 ' N ' ' HA2' ' A' ' 10' ' ' GLY . 0.1 OUTLIER -73.75 37.74 0.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 71.33 110.881 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.478 ' CG ' ' N ' ' A' ' 6' ' ' ARG . 1.3 ptm85 -68.19 -46.75 69.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 72.2 110.893 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.478 ' N ' ' CG ' ' A' ' 5' ' ' ARG . 7.8 mmt85 -82.44 -61.89 1.77 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 74.51 110.852 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.79 ' CD2' HG13 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -135.55 -78.93 0.43 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.455 . . . . 75.44 110.842 -179.897 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.79 HG13 ' CD2' ' A' ' 7' ' ' PHE . 1.7 m -131.94 6.47 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.158 -0.474 . . . . 72.12 111.099 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.774 HG23 ' O ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -43.99 -4.31 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 74.4 111.133 179.96 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.715 ' N ' ' O ' ' A' ' 8' ' ' VAL . . . -38.8 -25.55 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.749 -0.738 . . . . 74.3 112.502 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.488 ' N ' ' O ' ' A' ' 9' ' ' VAL . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-O 120.788 0.327 . . . . 74.43 110.854 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . 0.437 ' O ' ' O ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.823 0.344 . . . . 55.4 110.897 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.585 ' H ' HD23 ' A' ' 2' ' ' LEU . 1.2 pt? -106.98 50.66 0.76 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 74.44 110.899 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.772 ' O ' HG23 ' A' ' 9' ' ' VAL . 19.1 p90 -140.74 118.0 11.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 74.42 110.897 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.502 ' N ' ' HA2' ' A' ' 10' ' ' GLY . 0.7 OUTLIER -73.75 37.84 0.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 73.0 110.871 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.478 ' CG ' ' N ' ' A' ' 6' ' ' ARG . 1.2 ptm85 -68.39 -46.63 69.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 72.53 110.894 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.478 ' N ' ' CG ' ' A' ' 5' ' ' ARG . 1.4 mmt-85 -82.49 -61.87 1.77 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 54.52 110.863 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.795 ' CD2' HG13 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -135.54 -78.86 0.43 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 74.2 110.852 -179.93 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.795 HG13 ' CD2' ' A' ' 7' ' ' PHE . 1.7 m -131.98 6.44 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 65.11 111.15 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.772 HG23 ' O ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -43.94 -4.37 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 73.13 111.146 179.938 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.719 ' N ' ' O ' ' A' ' 8' ' ' VAL . . . -38.8 -25.57 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.763 -0.732 . . . . 52.32 112.453 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.491 ' N ' ' O ' ' A' ' 9' ' ' VAL . 2.7 ptm180 . . . . . 0 C--N 1.329 -0.312 0 CA-C-O 120.786 0.327 . . . . 73.24 110.888 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . 0.443 ' O ' ' O ' ' A' ' 9' ' ' VAL . 28.6 ptt180 . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.823 0.344 . . . . 74.53 110.858 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.581 ' H ' HD23 ' A' ' 2' ' ' LEU . 1.2 pt? -107.13 50.45 0.77 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 73.4 110.926 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.782 ' O ' HG23 ' A' ' 9' ' ' VAL . 19.1 p90 -140.67 117.87 11.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.476 . . . . 71.5 110.943 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.501 ' N ' ' HA2' ' A' ' 10' ' ' GLY . 0.0 OUTLIER -73.94 38.37 0.1 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.102 -0.499 . . . . 72.11 110.867 -179.932 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.477 ' CG ' ' N ' ' A' ' 6' ' ' ARG . 18.9 ptt180 -68.99 -46.69 67.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.452 . . . . 74.24 110.86 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.477 ' N ' ' CG ' ' A' ' 5' ' ' ARG . 21.0 mmt180 -82.28 -61.49 1.88 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 63.42 110.865 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.784 ' CD2' HG13 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -135.78 -78.69 0.43 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 74.44 110.868 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.784 HG13 ' CD2' ' A' ' 7' ' ' PHE . 1.7 m -132.4 6.48 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 74.13 111.146 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.782 HG23 ' O ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -43.9 -4.33 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 62.12 111.132 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.716 ' N ' ' O ' ' A' ' 8' ' ' VAL . . . -38.69 -25.61 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.727 -0.749 . . . . 75.04 112.505 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.489 ' N ' ' O ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-O 120.819 0.342 . . . . 75.5 110.918 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . 0.431 ' O ' ' O ' ' A' ' 9' ' ' VAL . 3.4 mtm180 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.806 0.336 . . . . 74.42 110.846 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.588 ' H ' HD23 ' A' ' 2' ' ' LEU . 1.2 pt? -106.89 50.81 0.76 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.194 -0.457 . . . . 71.33 110.909 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.775 ' O ' HG23 ' A' ' 9' ' ' VAL . 18.7 p90 -140.96 118.14 11.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 72.13 110.902 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.509 ' N ' ' HA2' ' A' ' 10' ' ' GLY . 8.0 ptt-85 -73.78 37.79 0.1 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.071 -0.513 . . . . 72.15 110.84 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.475 ' CG ' ' N ' ' A' ' 6' ' ' ARG . 1.2 ptm85 -68.31 -46.78 69.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 75.25 110.886 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.475 ' N ' ' CG ' ' A' ' 5' ' ' ARG . 5.9 mmt85 -82.37 -61.91 1.76 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 73.32 110.854 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.789 ' CD2' HG13 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -135.46 -78.81 0.43 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 71.2 110.923 -179.949 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.789 HG13 ' CD2' ' A' ' 7' ' ' PHE . 1.7 m -132.11 6.42 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 75.32 111.133 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.775 HG23 ' O ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -43.8 -4.58 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 72.21 111.113 179.93 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.72 ' N ' ' O ' ' A' ' 8' ' ' VAL . . . -38.34 -26.1 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.72 -0.752 . . . . 72.05 112.501 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.49 ' N ' ' O ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-O 120.77 0.319 . . . . 73.4 110.841 -179.807 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . 0.467 ' O ' ' O ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.864 0.364 . . . . 75.41 110.895 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.547 ' HA ' ' O ' ' A' ' 9' ' ' VAL . 0.3 OUTLIER -107.24 51.13 0.75 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 64.25 110.96 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.83 ' O ' HG23 ' A' ' 9' ' ' VAL . 29.9 p90 -139.62 115.72 10.37 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.195 -0.457 . . . . 72.31 110.909 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.508 ' N ' ' HA2' ' A' ' 10' ' ' GLY . 0.1 OUTLIER -75.31 43.2 0.22 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.079 -0.51 . . . . 74.22 110.87 -179.941 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.486 ' CG ' ' N ' ' A' ' 6' ' ' ARG . 7.9 ptm180 -73.96 -47.1 39.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 73.42 110.887 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.543 ' HB2' ' HD1' ' A' ' 7' ' ' PHE . 0.4 OUTLIER -82.51 -60.23 2.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 71.42 110.878 -179.916 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.801 ' CD2' HG13 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -134.23 -80.83 0.45 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 64.51 110.869 -179.934 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.801 HG13 ' CD2' ' A' ' 7' ' ' PHE . 1.6 m -132.99 7.81 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.468 . . . . 63.3 111.164 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.83 HG23 ' O ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -43.5 -5.62 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 74.34 111.137 179.895 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.711 ' N ' ' O ' ' A' ' 8' ' ' VAL . . . -38.17 -25.79 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.777 -0.725 . . . . 64.45 112.488 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.503 ' N ' ' O ' ' A' ' 9' ' ' VAL . 3.4 ptm180 . . . . . 0 C--N 1.329 -0.283 0 CA-C-O 120.744 0.307 . . . . 73.45 110.877 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . 0.46 ' O ' ' O ' ' A' ' 9' ' ' VAL . 62.8 mtp85 . . . . . 0 C--O 1.232 0.184 0 CA-C-O 120.82 0.343 . . . . 54.32 110.901 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.546 ' HA ' ' O ' ' A' ' 9' ' ' VAL . 0.3 OUTLIER -107.34 50.96 0.75 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 71.02 110.948 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.84 ' O ' HG23 ' A' ' 9' ' ' VAL . 29.8 p90 -139.5 115.67 10.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 74.11 110.941 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.511 ' N ' ' HA2' ' A' ' 10' ' ' GLY . 2.8 ptp180 -75.21 43.13 0.21 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 61.53 110.877 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.483 ' CG ' ' N ' ' A' ' 6' ' ' ARG . 1.4 ptm85 -74.02 -47.15 38.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 75.14 110.855 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.549 ' HB2' ' HD1' ' A' ' 7' ' ' PHE . 20.0 mtp180 -82.42 -60.29 2.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 74.11 110.88 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.798 ' CD2' HG13 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -134.22 -80.7 0.45 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 72.03 110.882 -179.952 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.798 HG13 ' CD2' ' A' ' 7' ' ' PHE . 1.6 m -133.09 7.76 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 72.21 111.092 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.84 HG23 ' O ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -43.54 -5.56 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 44.21 111.143 179.956 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.709 ' N ' ' O ' ' A' ' 8' ' ' VAL . . . -38.07 -25.81 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.756 -0.735 . . . . 61.33 112.491 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.504 ' N ' ' O ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-O 120.789 0.328 . . . . 32.1 110.888 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . 0.455 ' O ' ' O ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.233 0.186 0 CA-C-O 120.845 0.355 . . . . 64.42 110.847 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.546 ' HA ' ' O ' ' A' ' 9' ' ' VAL . 0.3 OUTLIER -107.34 50.9 0.76 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.195 -0.457 . . . . 61.22 110.946 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.833 ' O ' HG23 ' A' ' 9' ' ' VAL . 30.0 p90 -139.54 115.79 10.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 64.34 110.888 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.503 ' N ' ' HA2' ' A' ' 10' ' ' GLY . 7.0 ptm180 -75.25 43.11 0.21 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.498 . . . . 72.43 110.871 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.481 ' CG ' ' N ' ' A' ' 6' ' ' ARG . 7.7 ptm180 -74.15 -47.28 36.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 75.35 110.843 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.554 ' HB2' ' HD1' ' A' ' 7' ' ' PHE . 6.8 mtm180 -82.19 -60.2 2.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 73.12 110.883 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.819 ' CD2' HG13 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -134.33 -80.7 0.45 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 71.03 110.902 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.819 HG13 ' CD2' ' A' ' 7' ' ' PHE . 1.6 m -133.14 7.83 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.493 . . . . 72.24 111.115 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.833 HG23 ' O ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -43.57 -5.53 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 65.3 111.123 179.905 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.699 ' N ' ' O ' ' A' ' 8' ' ' VAL . . . -38.05 -25.83 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.726 -0.75 . . . . 24.32 112.477 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.515 ' N ' ' O ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-O 120.793 0.33 . . . . 63.35 110.882 -179.838 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . 0.466 ' O ' ' O ' ' A' ' 9' ' ' VAL . 7.7 ptm180 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.874 0.368 . . . . 74.42 110.87 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.546 ' HA ' ' O ' ' A' ' 9' ' ' VAL . 0.3 OUTLIER -107.33 50.93 0.76 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 65.3 110.961 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.84 ' O ' HG23 ' A' ' 9' ' ' VAL . 30.0 p90 -139.54 115.74 10.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.458 . . . . 75.22 110.916 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.5 ' N ' ' HA2' ' A' ' 10' ' ' GLY . 0.1 OUTLIER -75.32 43.18 0.22 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 71.54 110.904 -179.96 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.492 ' CG ' ' N ' ' A' ' 6' ' ' ARG . 7.6 ptm180 -74.1 -47.27 37.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 64.03 110.899 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.558 ' HB2' ' HD1' ' A' ' 7' ' ' PHE . 6.9 mtm180 -82.22 -60.17 2.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 62.02 110.861 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.823 ' CD2' HG13 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -134.39 -80.76 0.45 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 63.04 110.83 -179.881 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.823 HG13 ' CD2' ' A' ' 7' ' ' PHE . 1.6 m -133.12 7.86 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 74.21 111.116 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.84 HG23 ' O ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -43.55 -5.6 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 73.41 111.166 179.875 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.703 ' N ' ' O ' ' A' ' 8' ' ' VAL . . . -38.0 -25.88 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.725 -0.75 . . . . 71.01 112.509 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.514 ' N ' ' O ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-O 120.766 0.317 . . . . 73.23 110.863 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . 0.423 ' O ' ' O ' ' A' ' 9' ' ' VAL . 5.5 mtt180 . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.849 0.357 . . . . 75.11 110.855 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.532 ' HA ' ' O ' ' A' ' 9' ' ' VAL . 0.3 OUTLIER -105.79 52.23 0.74 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 73.21 110.905 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.796 ' O ' HG23 ' A' ' 9' ' ' VAL . 24.3 p90 -139.37 117.1 11.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 74.11 110.895 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.516 ' N ' ' HA2' ' A' ' 10' ' ' GLY . 1.0 OUTLIER -74.74 40.67 0.14 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.081 -0.508 . . . . 72.03 110.875 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.495 ' CG ' ' N ' ' A' ' 6' ' ' ARG . 6.4 ptm180 -71.37 -47.7 54.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 73.04 110.84 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.499 ' HB2' ' HD1' ' A' ' 7' ' ' PHE . 2.3 mmp_? -81.05 -61.1 2.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 75.41 110.864 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.78 ' CD2' HG13 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -135.3 -79.37 0.43 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 70.4 110.879 -179.936 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.78 HG13 ' CD2' ' A' ' 7' ' ' PHE . 1.7 m -132.83 7.37 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.489 . . . . 64.32 111.093 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.796 HG23 ' O ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -44.22 -4.23 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 75.13 111.118 179.95 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.713 ' N ' ' O ' ' A' ' 8' ' ' VAL . . . -38.71 -25.22 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.745 -0.741 . . . . 63.52 112.437 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.497 ' N ' ' O ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-O 120.782 0.325 . . . . 75.1 110.865 -179.844 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . 0.453 ' O ' ' O ' ' A' ' 9' ' ' VAL . 6.3 mmt85 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.863 0.363 . . . . 71.34 110.888 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.54 ' HA ' ' O ' ' A' ' 9' ' ' VAL . 0.3 OUTLIER -107.45 50.88 0.76 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 74.44 110.934 -179.946 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.845 ' O ' HG23 ' A' ' 9' ' ' VAL . 30.1 p90 -139.57 115.75 10.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 62.25 110.919 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.512 ' N ' ' HA2' ' A' ' 10' ' ' GLY . 0.6 OUTLIER -75.35 43.17 0.22 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.073 -0.512 . . . . 74.4 110.865 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.481 ' CG ' ' N ' ' A' ' 6' ' ' ARG . 7.4 ptm180 -74.11 -47.3 37.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 74.22 110.863 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.538 ' HB2' ' HD1' ' A' ' 7' ' ' PHE . 6.7 mtm180 -82.12 -60.29 2.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.434 . . . . 71.11 110.884 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.813 ' CD2' HG13 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -134.29 -80.7 0.45 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 64.11 110.874 -179.928 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.813 HG13 ' CD2' ' A' ' 7' ' ' PHE . 1.6 m -133.11 7.85 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.124 -0.489 . . . . 70.31 111.118 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.845 HG23 ' O ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -43.64 -5.5 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 73.44 111.08 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.704 ' N ' ' O ' ' A' ' 8' ' ' VAL . . . -38.16 -25.87 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.736 -0.745 . . . . 51.41 112.487 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.506 ' N ' ' O ' ' A' ' 9' ' ' VAL . 3.2 ptm180 . . . . . 0 C--N 1.329 -0.307 0 CA-C-O 120.778 0.323 . . . . 75.14 110.871 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . 0.464 ' O ' ' O ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.86 0.362 . . . . 72.32 110.854 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.545 ' HA ' ' O ' ' A' ' 9' ' ' VAL . 0.3 OUTLIER -107.17 51.03 0.75 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 70.35 110.926 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.835 ' O ' HG23 ' A' ' 9' ' ' VAL . 30.1 p90 -139.6 115.75 10.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 72.04 110.92 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.508 ' N ' ' HA2' ' A' ' 10' ' ' GLY . 3.7 ptt180 -75.27 43.09 0.21 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.078 -0.51 . . . . 74.45 110.927 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.492 ' CG ' ' N ' ' A' ' 6' ' ' ARG . 7.8 ptm180 -74.05 -47.27 37.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 70.44 110.909 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.558 ' HB2' ' HD1' ' A' ' 7' ' ' PHE . 6.8 mtm180 -82.18 -60.19 2.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 73.3 110.883 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.817 ' CD2' HG13 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -134.41 -80.74 0.45 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 70.53 110.847 -179.918 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.817 HG13 ' CD2' ' A' ' 7' ' ' PHE . 1.6 m -133.09 7.83 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 62.1 111.142 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.835 HG23 ' O ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -43.56 -5.58 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.153 -0.476 . . . . 52.2 111.119 179.908 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.697 ' N ' ' O ' ' A' ' 8' ' ' VAL . . . -38.02 -25.93 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.768 -0.73 . . . . 73.22 112.506 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.513 ' N ' ' O ' ' A' ' 9' ' ' VAL . 1.1 ptm180 . . . . . 0 C--N 1.329 -0.29 0 CA-C-O 120.808 0.337 . . . . 72.45 110.898 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . 0.453 ' O ' ' O ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.86 0.362 . . . . 60.44 110.885 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.545 ' HA ' ' O ' ' A' ' 9' ' ' VAL . 0.3 OUTLIER -107.44 50.99 0.75 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 71.12 110.934 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.833 ' O ' HG23 ' A' ' 9' ' ' VAL . 30.1 p90 -139.53 115.71 10.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 74.11 110.954 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.506 ' N ' ' HA2' ' A' ' 10' ' ' GLY . 0.0 OUTLIER -75.31 43.11 0.22 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 74.24 110.856 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.485 ' CG ' ' N ' ' A' ' 6' ' ' ARG . 7.2 ptm180 -74.08 -47.27 37.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 74.03 110.901 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.552 ' HB2' ' HD1' ' A' ' 7' ' ' PHE . 6.8 mtm180 -82.14 -60.29 2.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 63.42 110.908 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.82 ' CD2' HG13 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -134.33 -80.63 0.45 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 74.45 110.906 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.82 HG13 ' CD2' ' A' ' 7' ' ' PHE . 1.6 m -133.11 7.74 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 61.53 111.119 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.833 HG23 ' O ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -43.57 -5.5 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.168 -0.469 . . . . 65.21 111.164 179.95 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.705 ' N ' ' O ' ' A' ' 8' ' ' VAL . . . -38.15 -25.88 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.738 -0.744 . . . . 63.4 112.453 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.509 ' N ' ' O ' ' A' ' 9' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-O 120.814 0.34 . . . . 71.25 110.886 -179.829 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . 0.47 ' O ' ' O ' ' A' ' 9' ' ' VAL . 9.9 mtm180 . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.84 0.353 . . . . 73.3 110.858 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.545 ' HA ' ' O ' ' A' ' 9' ' ' VAL . 0.3 OUTLIER -107.14 51.06 0.75 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 74.22 110.892 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.846 ' O ' HG23 ' A' ' 9' ' ' VAL . 29.9 p90 -139.6 115.75 10.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 73.25 110.89 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.507 ' N ' ' HA2' ' A' ' 10' ' ' GLY . 1.8 ptt-85 -75.41 43.88 0.25 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.092 -0.503 . . . . 71.53 110.885 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.486 ' CG ' ' N ' ' A' ' 6' ' ' ARG . 7.9 ptm180 -74.95 -47.23 30.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 74.12 110.874 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.549 ' HB2' ' HD1' ' A' ' 7' ' ' PHE . 6.6 mtm180 -82.21 -59.96 2.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 72.41 110.874 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.813 ' CD2' HG13 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -134.56 -80.62 0.45 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 71.12 110.85 -179.933 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.813 HG13 ' CD2' ' A' ' 7' ' ' PHE . 1.6 m -133.24 7.64 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 54.13 111.122 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.846 HG23 ' O ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -43.28 -5.92 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 62.5 111.172 179.903 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.706 ' N ' ' O ' ' A' ' 8' ' ' VAL . . . -37.75 -26.08 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.764 -0.731 . . . . 73.15 112.481 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.517 ' N ' ' O ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-O 120.809 0.338 . . . . 75.31 110.851 -179.841 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . 0.469 ' O ' ' O ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.883 0.373 . . . . 75.24 110.887 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.54 ' HA ' ' O ' ' A' ' 9' ' ' VAL . 0.3 OUTLIER -107.37 50.84 0.76 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.453 . . . . 71.31 110.939 -179.957 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.839 ' O ' HG23 ' A' ' 9' ' ' VAL . 30.2 p90 -139.54 115.73 10.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 74.25 110.927 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.499 ' N ' ' HA2' ' A' ' 10' ' ' GLY . 2.3 ptt-85 -75.37 43.17 0.22 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.484 . . . . 62.44 110.826 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.492 ' CG ' ' N ' ' A' ' 6' ' ' ARG . 7.4 ptm180 -74.12 -47.31 37.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 75.44 110.862 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.556 ' HB2' ' HD1' ' A' ' 7' ' ' PHE . 6.9 mtm180 -82.14 -60.23 2.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 73.13 110.89 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.82 ' CD2' HG13 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -134.4 -80.71 0.45 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 63.41 110.831 -179.889 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.82 HG13 ' CD2' ' A' ' 7' ' ' PHE . 1.6 m -133.1 7.84 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.132 -0.486 . . . . 61.13 111.102 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.839 HG23 ' O ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -43.61 -5.51 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.185 -0.461 . . . . 74.03 111.134 179.935 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.705 ' N ' ' O ' ' A' ' 8' ' ' VAL . . . -38.16 -25.87 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.687 -0.768 . . . . 72.44 112.489 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.51 ' N ' ' O ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-O 120.777 0.322 . . . . 74.44 110.899 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . 0.426 ' O ' ' O ' ' A' ' 9' ' ' VAL . 11.4 ptt-85 . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.85 0.357 . . . . 45.22 110.854 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.534 ' HA ' ' O ' ' A' ' 9' ' ' VAL . 0.3 OUTLIER -105.91 52.43 0.73 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 74.54 110.908 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.775 ' O ' HG23 ' A' ' 9' ' ' VAL . 20.5 p90 -140.33 117.64 11.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 75.14 110.91 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.496 ' N ' ' HA2' ' A' ' 10' ' ' GLY . 0.0 OUTLIER -73.81 37.4 0.1 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.127 -0.488 . . . . 71.24 110.87 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.478 ' CG ' ' N ' ' A' ' 6' ' ' ARG . 7.0 ptm180 -67.69 -46.61 71.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 75.03 110.839 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.478 ' N ' ' CG ' ' A' ' 5' ' ' ARG . 3.3 mmt85 -82.58 -61.82 1.78 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 60.12 110.855 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.79 ' CD2' HG13 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -135.37 -78.9 0.44 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 64.21 110.94 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.79 HG13 ' CD2' ' A' ' 7' ' ' PHE . 1.7 m -132.09 6.44 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 72.44 111.139 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.775 HG23 ' O ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -43.7 -4.67 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 73.21 111.144 179.9 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.72 ' N ' ' O ' ' A' ' 8' ' ' VAL . . . -38.64 -25.57 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.763 -0.732 . . . . 55.12 112.46 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.495 ' N ' ' O ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-O 120.839 0.352 . . . . 74.3 110.9 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.428 ' O ' ' O ' ' A' ' 9' ' ' VAL . 6.9 mtt180 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.849 0.356 . . . . 73.21 110.869 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.537 ' HA ' ' O ' ' A' ' 9' ' ' VAL . 0.3 OUTLIER -105.94 52.27 0.73 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 63.02 110.952 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.769 ' O ' HG23 ' A' ' 9' ' ' VAL . 20.9 p90 -140.04 117.55 11.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 73.04 110.931 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.507 ' N ' ' HA2' ' A' ' 10' ' ' GLY . 0.8 OUTLIER -73.91 38.34 0.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.095 -0.502 . . . . 74.22 110.871 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.481 ' CG ' ' N ' ' A' ' 6' ' ' ARG . 7.3 ptm180 -68.71 -46.67 68.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 64.04 110.855 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.481 ' N ' ' CG ' ' A' ' 5' ' ' ARG . 5.6 mmt85 -82.51 -61.8 1.79 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 72.11 110.884 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.781 ' CD2' HG13 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -135.42 -79.04 0.43 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 73.13 110.884 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.781 HG13 ' CD2' ' A' ' 7' ' ' PHE . 1.7 m -131.94 6.45 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 74.34 111.131 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.769 HG23 ' O ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -43.82 -4.43 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 75.14 111.161 179.9 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.709 ' N ' ' O ' ' A' ' 8' ' ' VAL . . . -38.93 -25.13 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.782 -0.723 . . . . 44.21 112.483 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.501 ' N ' ' O ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.338 0 CA-C-O 120.758 0.313 . . . . 72.45 110.933 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.446 ' O ' ' O ' ' A' ' 9' ' ' VAL . 5.5 ptp180 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.822 0.344 . . . . 74.12 110.821 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.584 ' H ' HD23 ' A' ' 2' ' ' LEU . 1.2 pt? -107.0 50.63 0.76 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 52.34 110.909 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.768 ' O ' HG23 ' A' ' 9' ' ' VAL . 18.9 p90 -140.77 118.04 11.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 74.24 110.896 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.5 ' N ' ' HA2' ' A' ' 10' ' ' GLY . 0.2 OUTLIER -73.66 37.8 0.1 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.111 -0.495 . . . . 64.23 110.858 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.483 ' CG ' ' N ' ' A' ' 6' ' ' ARG . 6.5 ptm180 -68.31 -46.8 69.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 71.43 110.86 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.483 ' N ' ' CG ' ' A' ' 5' ' ' ARG . 16.8 mmm-85 -82.4 -61.85 1.78 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 63.14 110.857 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.782 ' CD2' HG13 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -135.55 -78.89 0.43 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 64.41 110.868 -179.923 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.782 HG13 ' CD2' ' A' ' 7' ' ' PHE . 1.8 m -132.01 6.5 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 71.0 111.117 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.768 HG23 ' O ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -43.93 -4.35 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 64.35 111.096 179.897 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.71 ' N ' ' O ' ' A' ' 8' ' ' VAL . . . -38.74 -25.6 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.757 -0.735 . . . . 74.44 112.427 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.499 ' N ' ' O ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-O 120.826 0.346 . . . . 73.23 110.862 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.429 ' O ' ' O ' ' A' ' 9' ' ' VAL . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.178 0 CA-C-O 120.827 0.346 . . . . 64.22 110.844 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.539 ' HA ' ' O ' ' A' ' 9' ' ' VAL . 0.4 OUTLIER -105.88 52.38 0.73 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.454 . . . . 61.34 110.911 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.771 ' O ' HG23 ' A' ' 9' ' ' VAL . 20.9 p90 -140.01 117.53 11.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 74.53 110.923 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.507 ' N ' ' HA2' ' A' ' 10' ' ' GLY . 0.3 OUTLIER -73.9 38.32 0.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 71.43 110.885 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.479 ' CG ' ' N ' ' A' ' 6' ' ' ARG . 6.8 ptm180 -68.7 -46.6 68.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 75.15 110.891 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.479 ' N ' ' CG ' ' A' ' 5' ' ' ARG . 7.3 mmt85 -82.51 -61.8 1.79 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 73.23 110.882 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.783 ' CD2' HG13 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -135.44 -79.08 0.43 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 62.42 110.829 -179.873 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.783 HG13 ' CD2' ' A' ' 7' ' ' PHE . 1.7 m -131.93 6.5 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 62.04 111.155 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.771 HG23 ' O ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -43.84 -4.42 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.489 . . . . 63.23 111.113 179.937 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.716 ' N ' ' O ' ' A' ' 8' ' ' VAL . . . -39.14 -24.98 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.736 -0.745 . . . . 72.44 112.434 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.499 ' N ' ' O ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.321 0 CA-C-O 120.81 0.338 . . . . 63.43 110.826 -179.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.444 ' O ' ' O ' ' A' ' 9' ' ' VAL . 6.3 ptp180 . . . . . 0 C--O 1.232 0.184 0 CA-C-O 120.785 0.326 . . . . 74.53 110.847 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.584 ' H ' HD23 ' A' ' 2' ' ' LEU . 1.2 pt? -106.98 50.6 0.76 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 72.12 110.889 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.778 ' O ' HG23 ' A' ' 9' ' ' VAL . 19.0 p90 -140.75 117.98 11.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.456 . . . . 72.13 110.905 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.499 ' N ' ' HA2' ' A' ' 10' ' ' GLY . 1.8 ptt85 -73.69 37.78 0.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 63.44 110.926 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.475 ' CG ' ' N ' ' A' ' 6' ' ' ARG . 6.8 ptm180 -68.26 -46.81 69.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 74.11 110.877 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.475 ' N ' ' CG ' ' A' ' 5' ' ' ARG . 3.0 mmt85 -82.38 -61.84 1.78 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 63.0 110.882 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.789 ' CD2' HG13 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -135.54 -78.91 0.43 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 71.2 110.811 -179.895 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.789 HG13 ' CD2' ' A' ' 7' ' ' PHE . 1.8 m -132.04 6.54 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.48 . . . . 74.11 111.096 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.778 HG23 ' O ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -43.93 -4.36 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 41.2 111.1 179.895 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.715 ' N ' ' O ' ' A' ' 8' ' ' VAL . . . -38.79 -25.53 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.712 -0.756 . . . . 63.31 112.55 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.495 ' N ' ' O ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-O 120.81 0.338 . . . . 72.12 110.841 -179.836 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.428 ' O ' ' O ' ' A' ' 9' ' ' VAL . 18.9 ptt-85 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.824 0.345 . . . . 72.13 110.891 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.533 ' HA ' ' O ' ' A' ' 9' ' ' VAL . 0.4 OUTLIER -106.11 52.21 0.73 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 65.34 110.872 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.778 ' O ' HG23 ' A' ' 9' ' ' VAL . 20.8 p90 -140.03 117.52 11.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 74.24 110.919 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.499 ' N ' ' HA2' ' A' ' 10' ' ' GLY . 1.6 ptt180 -73.95 38.38 0.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 70.22 110.901 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.473 ' CG ' ' N ' ' A' ' 6' ' ' ARG . 1.2 ptm85 -68.77 -46.58 68.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 55.04 110.902 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.473 ' N ' ' CG ' ' A' ' 5' ' ' ARG . 6.9 mmt85 -82.57 -61.79 1.79 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 63.3 110.847 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.79 ' CD2' HG13 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -135.44 -78.98 0.43 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 74.1 110.916 -179.943 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.79 HG13 ' CD2' ' A' ' 7' ' ' PHE . 1.7 m -132.0 6.51 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 73.42 111.123 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.778 HG23 ' O ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -43.89 -4.38 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 64.43 111.105 179.936 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.718 ' N ' ' O ' ' A' ' 8' ' ' VAL . . . -39.12 -24.97 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.769 -0.729 . . . . 55.04 112.443 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.5 ' N ' ' O ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.338 0 CA-C-O 120.779 0.323 . . . . 71.42 110.915 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.438 ' O ' ' O ' ' A' ' 9' ' ' VAL . 3.4 mpt_? . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.847 0.356 . . . . 74.2 110.892 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.585 ' H ' HD23 ' A' ' 2' ' ' LEU . 1.2 pt? -106.97 50.61 0.76 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 70.13 110.926 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.774 ' O ' HG23 ' A' ' 9' ' ' VAL . 19.1 p90 -140.71 117.98 11.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 73.43 110.936 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.51 ' N ' ' HA2' ' A' ' 10' ' ' GLY . 0.1 OUTLIER -73.75 37.74 0.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 71.33 110.881 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.478 ' CG ' ' N ' ' A' ' 6' ' ' ARG . 1.3 ptm85 -68.19 -46.75 69.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 72.2 110.893 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.478 ' N ' ' CG ' ' A' ' 5' ' ' ARG . 7.8 mmt85 -82.44 -61.89 1.77 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 74.51 110.852 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.79 ' CD2' HG13 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -135.55 -78.93 0.43 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.455 . . . . 75.44 110.842 -179.897 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.79 HG13 ' CD2' ' A' ' 7' ' ' PHE . 1.7 m -131.94 6.47 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.158 -0.474 . . . . 72.12 111.099 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.774 HG23 ' O ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -43.99 -4.31 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 74.4 111.133 179.96 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.715 ' N ' ' O ' ' A' ' 8' ' ' VAL . . . -38.8 -25.55 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.749 -0.738 . . . . 74.3 112.502 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.488 ' N ' ' O ' ' A' ' 9' ' ' VAL . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-O 120.788 0.327 . . . . 74.43 110.854 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.437 ' O ' ' O ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.823 0.344 . . . . 55.4 110.897 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.585 ' H ' HD23 ' A' ' 2' ' ' LEU . 1.2 pt? -106.98 50.66 0.76 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 74.44 110.899 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.772 ' O ' HG23 ' A' ' 9' ' ' VAL . 19.1 p90 -140.74 118.0 11.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 74.42 110.897 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.502 ' N ' ' HA2' ' A' ' 10' ' ' GLY . 0.7 OUTLIER -73.75 37.84 0.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 73.0 110.871 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.478 ' CG ' ' N ' ' A' ' 6' ' ' ARG . 1.2 ptm85 -68.39 -46.63 69.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 72.53 110.894 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.478 ' N ' ' CG ' ' A' ' 5' ' ' ARG . 1.4 mmt-85 -82.49 -61.87 1.77 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 54.52 110.863 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.795 ' CD2' HG13 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -135.54 -78.86 0.43 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 74.2 110.852 -179.93 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.795 HG13 ' CD2' ' A' ' 7' ' ' PHE . 1.7 m -131.98 6.44 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 65.11 111.15 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.772 HG23 ' O ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -43.94 -4.37 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 73.13 111.146 179.938 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.719 ' N ' ' O ' ' A' ' 8' ' ' VAL . . . -38.8 -25.57 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.763 -0.732 . . . . 52.32 112.453 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.491 ' N ' ' O ' ' A' ' 9' ' ' VAL . 2.7 ptm180 . . . . . 0 C--N 1.329 -0.312 0 CA-C-O 120.786 0.327 . . . . 73.24 110.888 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.443 ' O ' ' O ' ' A' ' 9' ' ' VAL . 28.6 ptt180 . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.823 0.344 . . . . 74.53 110.858 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.581 ' H ' HD23 ' A' ' 2' ' ' LEU . 1.2 pt? -107.13 50.45 0.77 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 73.4 110.926 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.782 ' O ' HG23 ' A' ' 9' ' ' VAL . 19.1 p90 -140.67 117.87 11.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.476 . . . . 71.5 110.943 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.501 ' N ' ' HA2' ' A' ' 10' ' ' GLY . 0.0 OUTLIER -73.94 38.37 0.1 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.102 -0.499 . . . . 72.11 110.867 -179.932 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.477 ' CG ' ' N ' ' A' ' 6' ' ' ARG . 18.9 ptt180 -68.99 -46.69 67.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.452 . . . . 74.24 110.86 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.477 ' N ' ' CG ' ' A' ' 5' ' ' ARG . 21.0 mmt180 -82.28 -61.49 1.88 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 63.42 110.865 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.784 ' CD2' HG13 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -135.78 -78.69 0.43 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 74.44 110.868 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.784 HG13 ' CD2' ' A' ' 7' ' ' PHE . 1.7 m -132.4 6.48 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 74.13 111.146 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.782 HG23 ' O ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -43.9 -4.33 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 62.12 111.132 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.716 ' N ' ' O ' ' A' ' 8' ' ' VAL . . . -38.69 -25.61 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.727 -0.749 . . . . 75.04 112.505 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.489 ' N ' ' O ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-O 120.819 0.342 . . . . 75.5 110.918 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.431 ' O ' ' O ' ' A' ' 9' ' ' VAL . 3.4 mtm180 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.806 0.336 . . . . 74.42 110.846 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.588 ' H ' HD23 ' A' ' 2' ' ' LEU . 1.2 pt? -106.89 50.81 0.76 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.194 -0.457 . . . . 71.33 110.909 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.775 ' O ' HG23 ' A' ' 9' ' ' VAL . 18.7 p90 -140.96 118.14 11.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 72.13 110.902 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.509 ' N ' ' HA2' ' A' ' 10' ' ' GLY . 8.0 ptt-85 -73.78 37.79 0.1 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.071 -0.513 . . . . 72.15 110.84 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.475 ' CG ' ' N ' ' A' ' 6' ' ' ARG . 1.2 ptm85 -68.31 -46.78 69.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 75.25 110.886 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.475 ' N ' ' CG ' ' A' ' 5' ' ' ARG . 5.9 mmt85 -82.37 -61.91 1.76 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 73.32 110.854 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.789 ' CD2' HG13 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -135.46 -78.81 0.43 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 71.2 110.923 -179.949 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.789 HG13 ' CD2' ' A' ' 7' ' ' PHE . 1.7 m -132.11 6.42 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 75.32 111.133 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.775 HG23 ' O ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -43.8 -4.58 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 72.21 111.113 179.93 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.72 ' N ' ' O ' ' A' ' 8' ' ' VAL . . . -38.34 -26.1 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.72 -0.752 . . . . 72.05 112.501 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.49 ' N ' ' O ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-O 120.77 0.319 . . . . 73.4 110.841 -179.807 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.467 ' O ' ' O ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.864 0.364 . . . . 75.41 110.895 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.547 ' HA ' ' O ' ' A' ' 9' ' ' VAL . 0.3 OUTLIER -107.24 51.13 0.75 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 64.25 110.96 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.83 ' O ' HG23 ' A' ' 9' ' ' VAL . 29.9 p90 -139.62 115.72 10.37 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.195 -0.457 . . . . 72.31 110.909 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.508 ' N ' ' HA2' ' A' ' 10' ' ' GLY . 0.1 OUTLIER -75.31 43.2 0.22 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.079 -0.51 . . . . 74.22 110.87 -179.941 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.486 ' CG ' ' N ' ' A' ' 6' ' ' ARG . 7.9 ptm180 -73.96 -47.1 39.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 73.42 110.887 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.543 ' HB2' ' HD1' ' A' ' 7' ' ' PHE . 0.4 OUTLIER -82.51 -60.23 2.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 71.42 110.878 -179.916 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.801 ' CD2' HG13 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -134.23 -80.83 0.45 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 64.51 110.869 -179.934 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.801 HG13 ' CD2' ' A' ' 7' ' ' PHE . 1.6 m -132.99 7.81 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.468 . . . . 63.3 111.164 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.83 HG23 ' O ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -43.5 -5.62 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 74.34 111.137 179.895 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.711 ' N ' ' O ' ' A' ' 8' ' ' VAL . . . -38.17 -25.79 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.777 -0.725 . . . . 64.45 112.488 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.503 ' N ' ' O ' ' A' ' 9' ' ' VAL . 3.4 ptm180 . . . . . 0 C--N 1.329 -0.283 0 CA-C-O 120.744 0.307 . . . . 73.45 110.877 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.46 ' O ' ' O ' ' A' ' 9' ' ' VAL . 62.8 mtp85 . . . . . 0 C--O 1.232 0.184 0 CA-C-O 120.82 0.343 . . . . 54.32 110.901 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.546 ' HA ' ' O ' ' A' ' 9' ' ' VAL . 0.3 OUTLIER -107.34 50.96 0.75 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 71.02 110.948 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.84 ' O ' HG23 ' A' ' 9' ' ' VAL . 29.8 p90 -139.5 115.67 10.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 74.11 110.941 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.511 ' N ' ' HA2' ' A' ' 10' ' ' GLY . 2.8 ptp180 -75.21 43.13 0.21 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 61.53 110.877 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.483 ' CG ' ' N ' ' A' ' 6' ' ' ARG . 1.4 ptm85 -74.02 -47.15 38.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 75.14 110.855 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.549 ' HB2' ' HD1' ' A' ' 7' ' ' PHE . 20.0 mtp180 -82.42 -60.29 2.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 74.11 110.88 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.798 ' CD2' HG13 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -134.22 -80.7 0.45 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 72.03 110.882 -179.952 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.798 HG13 ' CD2' ' A' ' 7' ' ' PHE . 1.6 m -133.09 7.76 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 72.21 111.092 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.84 HG23 ' O ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -43.54 -5.56 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 44.21 111.143 179.956 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.709 ' N ' ' O ' ' A' ' 8' ' ' VAL . . . -38.07 -25.81 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.756 -0.735 . . . . 61.33 112.491 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.504 ' N ' ' O ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-O 120.789 0.328 . . . . 32.1 110.888 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.455 ' O ' ' O ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.233 0.186 0 CA-C-O 120.845 0.355 . . . . 64.42 110.847 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.546 ' HA ' ' O ' ' A' ' 9' ' ' VAL . 0.3 OUTLIER -107.34 50.9 0.76 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.195 -0.457 . . . . 61.22 110.946 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.833 ' O ' HG23 ' A' ' 9' ' ' VAL . 30.0 p90 -139.54 115.79 10.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 64.34 110.888 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.503 ' N ' ' HA2' ' A' ' 10' ' ' GLY . 7.0 ptm180 -75.25 43.11 0.21 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.498 . . . . 72.43 110.871 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.481 ' CG ' ' N ' ' A' ' 6' ' ' ARG . 7.7 ptm180 -74.15 -47.28 36.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 75.35 110.843 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.554 ' HB2' ' HD1' ' A' ' 7' ' ' PHE . 6.8 mtm180 -82.19 -60.2 2.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 73.12 110.883 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.819 ' CD2' HG13 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -134.33 -80.7 0.45 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 71.03 110.902 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.819 HG13 ' CD2' ' A' ' 7' ' ' PHE . 1.6 m -133.14 7.83 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.493 . . . . 72.24 111.115 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.833 HG23 ' O ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -43.57 -5.53 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 65.3 111.123 179.905 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.699 ' N ' ' O ' ' A' ' 8' ' ' VAL . . . -38.05 -25.83 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.726 -0.75 . . . . 24.32 112.477 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.515 ' N ' ' O ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-O 120.793 0.33 . . . . 63.35 110.882 -179.838 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.466 ' O ' ' O ' ' A' ' 9' ' ' VAL . 7.7 ptm180 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.874 0.368 . . . . 74.42 110.87 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.546 ' HA ' ' O ' ' A' ' 9' ' ' VAL . 0.3 OUTLIER -107.33 50.93 0.76 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 65.3 110.961 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.84 ' O ' HG23 ' A' ' 9' ' ' VAL . 30.0 p90 -139.54 115.74 10.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.458 . . . . 75.22 110.916 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.5 ' N ' ' HA2' ' A' ' 10' ' ' GLY . 0.1 OUTLIER -75.32 43.18 0.22 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 71.54 110.904 -179.96 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.492 ' CG ' ' N ' ' A' ' 6' ' ' ARG . 7.6 ptm180 -74.1 -47.27 37.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 64.03 110.899 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.558 ' HB2' ' HD1' ' A' ' 7' ' ' PHE . 6.9 mtm180 -82.22 -60.17 2.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 62.02 110.861 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.823 ' CD2' HG13 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -134.39 -80.76 0.45 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 63.04 110.83 -179.881 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.823 HG13 ' CD2' ' A' ' 7' ' ' PHE . 1.6 m -133.12 7.86 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 74.21 111.116 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.84 HG23 ' O ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -43.55 -5.6 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 73.41 111.166 179.875 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.703 ' N ' ' O ' ' A' ' 8' ' ' VAL . . . -38.0 -25.88 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.725 -0.75 . . . . 71.01 112.509 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.514 ' N ' ' O ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-O 120.766 0.317 . . . . 73.23 110.863 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.423 ' O ' ' O ' ' A' ' 9' ' ' VAL . 5.5 mtt180 . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.849 0.357 . . . . 75.11 110.855 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.532 ' HA ' ' O ' ' A' ' 9' ' ' VAL . 0.3 OUTLIER -105.79 52.23 0.74 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 73.21 110.905 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.796 ' O ' HG23 ' A' ' 9' ' ' VAL . 24.3 p90 -139.37 117.1 11.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 74.11 110.895 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.516 ' N ' ' HA2' ' A' ' 10' ' ' GLY . 1.0 OUTLIER -74.74 40.67 0.14 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.081 -0.508 . . . . 72.03 110.875 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.495 ' CG ' ' N ' ' A' ' 6' ' ' ARG . 6.4 ptm180 -71.37 -47.7 54.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 73.04 110.84 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.499 ' HB2' ' HD1' ' A' ' 7' ' ' PHE . 2.3 mmp_? -81.05 -61.1 2.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 75.41 110.864 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.78 ' CD2' HG13 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -135.3 -79.37 0.43 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 70.4 110.879 -179.936 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.78 HG13 ' CD2' ' A' ' 7' ' ' PHE . 1.7 m -132.83 7.37 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.489 . . . . 64.32 111.093 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.796 HG23 ' O ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -44.22 -4.23 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 75.13 111.118 179.95 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.713 ' N ' ' O ' ' A' ' 8' ' ' VAL . . . -38.71 -25.22 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.745 -0.741 . . . . 63.52 112.437 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.497 ' N ' ' O ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-O 120.782 0.325 . . . . 75.1 110.865 -179.844 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.453 ' O ' ' O ' ' A' ' 9' ' ' VAL . 6.3 mmt85 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.863 0.363 . . . . 71.34 110.888 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.54 ' HA ' ' O ' ' A' ' 9' ' ' VAL . 0.3 OUTLIER -107.45 50.88 0.76 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 74.44 110.934 -179.946 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.845 ' O ' HG23 ' A' ' 9' ' ' VAL . 30.1 p90 -139.57 115.75 10.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 62.25 110.919 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.512 ' N ' ' HA2' ' A' ' 10' ' ' GLY . 0.6 OUTLIER -75.35 43.17 0.22 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.073 -0.512 . . . . 74.4 110.865 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.481 ' CG ' ' N ' ' A' ' 6' ' ' ARG . 7.4 ptm180 -74.11 -47.3 37.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 74.22 110.863 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.538 ' HB2' ' HD1' ' A' ' 7' ' ' PHE . 6.7 mtm180 -82.12 -60.29 2.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.434 . . . . 71.11 110.884 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.813 ' CD2' HG13 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -134.29 -80.7 0.45 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 64.11 110.874 -179.928 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.813 HG13 ' CD2' ' A' ' 7' ' ' PHE . 1.6 m -133.11 7.85 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.124 -0.489 . . . . 70.31 111.118 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.845 HG23 ' O ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -43.64 -5.5 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 73.44 111.08 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.704 ' N ' ' O ' ' A' ' 8' ' ' VAL . . . -38.16 -25.87 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.736 -0.745 . . . . 51.41 112.487 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.506 ' N ' ' O ' ' A' ' 9' ' ' VAL . 3.2 ptm180 . . . . . 0 C--N 1.329 -0.307 0 CA-C-O 120.778 0.323 . . . . 75.14 110.871 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.464 ' O ' ' O ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.86 0.362 . . . . 72.32 110.854 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.545 ' HA ' ' O ' ' A' ' 9' ' ' VAL . 0.3 OUTLIER -107.17 51.03 0.75 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 70.35 110.926 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.835 ' O ' HG23 ' A' ' 9' ' ' VAL . 30.1 p90 -139.6 115.75 10.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 72.04 110.92 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.508 ' N ' ' HA2' ' A' ' 10' ' ' GLY . 3.7 ptt180 -75.27 43.09 0.21 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.078 -0.51 . . . . 74.45 110.927 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.492 ' CG ' ' N ' ' A' ' 6' ' ' ARG . 7.8 ptm180 -74.05 -47.27 37.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 70.44 110.909 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.558 ' HB2' ' HD1' ' A' ' 7' ' ' PHE . 6.8 mtm180 -82.18 -60.19 2.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 73.3 110.883 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.817 ' CD2' HG13 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -134.41 -80.74 0.45 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 70.53 110.847 -179.918 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.817 HG13 ' CD2' ' A' ' 7' ' ' PHE . 1.6 m -133.09 7.83 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 62.1 111.142 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.835 HG23 ' O ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -43.56 -5.58 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.153 -0.476 . . . . 52.2 111.119 179.908 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.697 ' N ' ' O ' ' A' ' 8' ' ' VAL . . . -38.02 -25.93 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.768 -0.73 . . . . 73.22 112.506 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.513 ' N ' ' O ' ' A' ' 9' ' ' VAL . 1.1 ptm180 . . . . . 0 C--N 1.329 -0.29 0 CA-C-O 120.808 0.337 . . . . 72.45 110.898 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.453 ' O ' ' O ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.86 0.362 . . . . 60.44 110.885 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.545 ' HA ' ' O ' ' A' ' 9' ' ' VAL . 0.3 OUTLIER -107.44 50.99 0.75 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 71.12 110.934 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.833 ' O ' HG23 ' A' ' 9' ' ' VAL . 30.1 p90 -139.53 115.71 10.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 74.11 110.954 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.506 ' N ' ' HA2' ' A' ' 10' ' ' GLY . 0.0 OUTLIER -75.31 43.11 0.22 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 74.24 110.856 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.485 ' CG ' ' N ' ' A' ' 6' ' ' ARG . 7.2 ptm180 -74.08 -47.27 37.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 74.03 110.901 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.552 ' HB2' ' HD1' ' A' ' 7' ' ' PHE . 6.8 mtm180 -82.14 -60.29 2.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 63.42 110.908 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.82 ' CD2' HG13 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -134.33 -80.63 0.45 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 74.45 110.906 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.82 HG13 ' CD2' ' A' ' 7' ' ' PHE . 1.6 m -133.11 7.74 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 61.53 111.119 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.833 HG23 ' O ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -43.57 -5.5 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.168 -0.469 . . . . 65.21 111.164 179.95 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.705 ' N ' ' O ' ' A' ' 8' ' ' VAL . . . -38.15 -25.88 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.738 -0.744 . . . . 63.4 112.453 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.509 ' N ' ' O ' ' A' ' 9' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-O 120.814 0.34 . . . . 71.25 110.886 -179.829 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.47 ' O ' ' O ' ' A' ' 9' ' ' VAL . 9.9 mtm180 . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.84 0.353 . . . . 73.3 110.858 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.545 ' HA ' ' O ' ' A' ' 9' ' ' VAL . 0.3 OUTLIER -107.14 51.06 0.75 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 74.22 110.892 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.846 ' O ' HG23 ' A' ' 9' ' ' VAL . 29.9 p90 -139.6 115.75 10.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 73.25 110.89 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.507 ' N ' ' HA2' ' A' ' 10' ' ' GLY . 1.8 ptt-85 -75.41 43.88 0.25 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.092 -0.503 . . . . 71.53 110.885 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.486 ' CG ' ' N ' ' A' ' 6' ' ' ARG . 7.9 ptm180 -74.95 -47.23 30.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 74.12 110.874 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.549 ' HB2' ' HD1' ' A' ' 7' ' ' PHE . 6.6 mtm180 -82.21 -59.96 2.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 72.41 110.874 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.813 ' CD2' HG13 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -134.56 -80.62 0.45 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 71.12 110.85 -179.933 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.813 HG13 ' CD2' ' A' ' 7' ' ' PHE . 1.6 m -133.24 7.64 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 54.13 111.122 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.846 HG23 ' O ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -43.28 -5.92 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 62.5 111.172 179.903 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.706 ' N ' ' O ' ' A' ' 8' ' ' VAL . . . -37.75 -26.08 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.764 -0.731 . . . . 73.15 112.481 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.517 ' N ' ' O ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-O 120.809 0.338 . . . . 75.31 110.851 -179.841 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.469 ' O ' ' O ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.883 0.373 . . . . 75.24 110.887 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.54 ' HA ' ' O ' ' A' ' 9' ' ' VAL . 0.3 OUTLIER -107.37 50.84 0.76 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.453 . . . . 71.31 110.939 -179.957 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.839 ' O ' HG23 ' A' ' 9' ' ' VAL . 30.2 p90 -139.54 115.73 10.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 74.25 110.927 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.499 ' N ' ' HA2' ' A' ' 10' ' ' GLY . 2.3 ptt-85 -75.37 43.17 0.22 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.484 . . . . 62.44 110.826 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.492 ' CG ' ' N ' ' A' ' 6' ' ' ARG . 7.4 ptm180 -74.12 -47.31 37.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 75.44 110.862 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.556 ' HB2' ' HD1' ' A' ' 7' ' ' PHE . 6.9 mtm180 -82.14 -60.23 2.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 73.13 110.89 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.82 ' CD2' HG13 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -134.4 -80.71 0.45 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 63.41 110.831 -179.889 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.82 HG13 ' CD2' ' A' ' 7' ' ' PHE . 1.6 m -133.1 7.84 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.132 -0.486 . . . . 61.13 111.102 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.839 HG23 ' O ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -43.61 -5.51 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.185 -0.461 . . . . 74.03 111.134 179.935 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.705 ' N ' ' O ' ' A' ' 8' ' ' VAL . . . -38.16 -25.87 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.687 -0.768 . . . . 72.44 112.489 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.51 ' N ' ' O ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-O 120.777 0.322 . . . . 74.44 110.899 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.426 ' O ' ' O ' ' A' ' 9' ' ' VAL . 11.4 ptt-85 . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.85 0.357 . . . . 45.22 110.854 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.534 ' HA ' ' O ' ' A' ' 9' ' ' VAL . 0.3 OUTLIER -105.91 52.43 0.73 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 74.54 110.908 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.775 ' O ' HG23 ' A' ' 9' ' ' VAL . 20.5 p90 -140.33 117.64 11.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 75.14 110.91 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.496 ' N ' ' HA2' ' A' ' 10' ' ' GLY . 0.0 OUTLIER -73.81 37.4 0.1 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.127 -0.488 . . . . 71.24 110.87 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.478 ' CG ' ' N ' ' A' ' 6' ' ' ARG . 7.0 ptm180 -67.69 -46.61 71.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 75.03 110.839 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.478 ' N ' ' CG ' ' A' ' 5' ' ' ARG . 3.3 mmt85 -82.58 -61.82 1.78 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 60.12 110.855 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.79 ' CD2' HG13 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -135.37 -78.9 0.44 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 64.21 110.94 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.79 HG13 ' CD2' ' A' ' 7' ' ' PHE . 1.7 m -132.09 6.44 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 72.44 111.139 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.775 HG23 ' O ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -43.7 -4.67 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 73.21 111.144 179.9 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.72 ' N ' ' O ' ' A' ' 8' ' ' VAL . . . -38.64 -25.57 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.763 -0.732 . . . . 55.12 112.46 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.495 ' N ' ' O ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-O 120.839 0.352 . . . . 74.3 110.9 -179.848 . . . . . . . . 2 2 . 1 stop_ save_