data_2mq5_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 2mq5 _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' ' ' LEU . . . . . . . . . . . . . 1.1 tt . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.831 0.348 . . . . 75.31 110.897 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -123.01 -94.33 0.5 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 73.34 110.932 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.15 16.11 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.111 -0.495 . . . . 74.53 110.878 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.519 ' O ' HG12 ' A' ' 7' ' ' VAL . 4.3 mtt-85 -121.12 1.76 10.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 74.23 110.892 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 4.3 ptt85 -41.85 -34.41 0.66 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 75.43 110.862 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.921 ' O ' ' N ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -58.13 -47.02 84.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 74.1 110.843 -179.86 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.828 ' N ' ' CD1' ' A' ' 6' ' ' PHE . 0.6 OUTLIER 11.54 43.08 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 74.54 111.098 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.921 ' N ' ' O ' ' A' ' 6' ' ' PHE . 4.2 m -59.62 14.22 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 74.01 111.135 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.69 ' H ' ' C ' ' A' ' 7' ' ' VAL . . . -92.55 35.13 4.16 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.764 -0.732 . . . . 71.15 112.499 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-O 120.784 0.326 . . . . 73.33 110.852 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 1.2 tt . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.778 0.323 . . . . 70.41 110.946 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -123.05 -94.46 0.49 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 74.44 110.947 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.22 17.05 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 75.54 110.889 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.518 ' O ' HG12 ' A' ' 7' ' ' VAL . 7.0 mtp180 -121.55 1.3 10.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 75.44 110.926 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 4.6 ptt85 -41.93 -34.39 0.67 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 64.33 110.805 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.918 ' O ' ' N ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -58.1 -47.06 84.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 71.14 110.89 -179.921 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.838 ' N ' ' CD1' ' A' ' 6' ' ' PHE . 0.6 OUTLIER 11.49 43.07 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 63.14 111.158 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.918 ' N ' ' O ' ' A' ' 6' ' ' PHE . 4.1 m -59.68 14.49 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 74.55 111.102 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.695 ' H ' ' C ' ' A' ' 7' ' ' VAL . . . -102.32 39.98 2.58 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.758 -0.734 . . . . 65.4 112.457 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-O 120.812 0.339 . . . . 74.03 110.859 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 1.1 tt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.83 0.348 . . . . 72.02 110.938 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -123.03 -94.31 0.5 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 75.51 110.898 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.08 16.1 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 73.21 110.895 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.509 ' O ' HG12 ' A' ' 7' ' ' VAL . 6.9 mtp180 -121.24 1.81 10.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 74.31 110.888 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 8.4 ptt-85 -41.8 -34.44 0.64 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 74.44 110.869 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.916 ' O ' ' N ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -58.06 -47.08 84.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 73.1 110.86 -179.922 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.837 ' N ' ' CD1' ' A' ' 6' ' ' PHE . 0.6 OUTLIER 11.54 43.08 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.463 . . . . 74.04 111.137 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.916 ' N ' ' O ' ' A' ' 6' ' ' PHE . 4.1 m -59.69 14.48 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 74.3 111.103 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.71 ' H ' ' C ' ' A' ' 7' ' ' VAL . . . -102.36 40.08 2.55 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.701 -0.762 . . . . 75.2 112.474 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-O 120.803 0.335 . . . . 65.13 110.864 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 1.2 tt . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.8 0.334 . . . . 74.22 110.919 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -123.01 -94.83 0.49 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 74.52 110.9 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.415 ' NE ' ' HE ' ' A' ' 4' ' ' ARG . 0.0 OUTLIER -177.54 16.97 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.484 . . . . 73.0 110.905 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.525 ' O ' HG12 ' A' ' 7' ' ' VAL . 3.2 mtt-85 -121.79 1.64 9.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 74.32 110.842 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -41.58 -34.68 0.61 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 64.41 110.869 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.911 ' O ' ' N ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -57.96 -47.16 83.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 73.44 110.857 -179.887 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.828 ' N ' ' CD1' ' A' ' 6' ' ' PHE . 0.6 OUTLIER 11.55 43.02 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 73.4 111.143 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.911 ' N ' ' O ' ' A' ' 6' ' ' PHE . 4.2 m -59.57 14.18 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 74.2 111.104 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.709 ' H ' ' C ' ' A' ' 7' ' ' VAL . . . -92.48 35.15 4.15 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.726 -0.749 . . . . 70.32 112.51 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-O 120.796 0.332 . . . . 74.11 110.89 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.809 0.338 . . . . 75.44 110.931 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -122.21 -93.9 0.51 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.169 -0.468 . . . . 74.21 110.907 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.1 15.87 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.488 . . . . 74.22 110.85 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.526 ' O ' HG12 ' A' ' 7' ' ' VAL . 8.6 mtp180 -121.62 1.79 10.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 73.31 110.833 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.4 ptt180 -41.71 -34.55 0.63 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 64.54 110.883 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.921 ' O ' ' N ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -58.02 -47.09 84.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 75.32 110.855 -179.943 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.831 ' N ' ' CD1' ' A' ' 6' ' ' PHE . 0.6 OUTLIER 11.54 42.99 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.484 . . . . 74.34 111.157 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.921 ' N ' ' O ' ' A' ' 6' ' ' PHE . 4.1 m -59.54 14.17 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 72.11 111.114 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.697 ' H ' ' C ' ' A' ' 7' ' ' VAL . . . -92.53 35.19 4.14 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.715 -0.755 . . . . 74.31 112.51 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.291 0 CA-C-O 120.787 0.327 . . . . 70.21 110.883 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.823 0.344 . . . . 73.43 110.897 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -122.19 -94.24 0.5 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.466 . . . . 73.41 110.924 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.0 15.41 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.103 -0.498 . . . . 73.12 110.85 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.524 ' O ' HG12 ' A' ' 7' ' ' VAL . 7.0 mtp180 -121.46 3.01 10.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 75.23 110.902 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.1 ptm180 -41.7 -34.59 0.63 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 74.32 110.862 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.921 ' O ' ' N ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -57.97 -47.12 83.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 74.52 110.877 -179.928 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.82 ' N ' ' CD1' ' A' ' 6' ' ' PHE . 0.6 OUTLIER 11.58 42.95 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 63.54 111.148 179.927 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.921 ' N ' ' O ' ' A' ' 6' ' ' PHE . 4.1 m -59.55 14.26 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 71.33 111.149 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.698 ' H ' ' C ' ' A' ' 7' ' ' VAL . . . -92.6 35.23 4.13 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.72 -0.752 . . . . 73.21 112.472 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-O 120.814 0.34 . . . . 75.43 110.879 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 1.1 tt . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.788 0.328 . . . . 74.33 110.929 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -122.84 -94.89 0.49 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 72.32 110.915 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -177.56 16.4 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.086 -0.506 . . . . 73.31 110.907 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.513 ' O ' HG12 ' A' ' 7' ' ' VAL . 7.5 mtp180 -121.63 2.93 10.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 75.52 110.899 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.9 ptt180 -41.6 -34.68 0.62 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 75.32 110.851 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.912 ' O ' ' N ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -57.96 -47.18 83.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 74.32 110.844 -179.894 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.839 ' N ' ' CD1' ' A' ' 6' ' ' PHE . 0.6 OUTLIER 11.59 43.02 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 72.42 111.097 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.912 ' N ' ' O ' ' A' ' 6' ' ' PHE . 4.1 m -59.69 14.53 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 70.11 111.121 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.686 ' H ' ' C ' ' A' ' 7' ' ' VAL . . . -102.43 40.04 2.56 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.751 -0.738 . . . . 74.03 112.479 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.328 0 CA-C-O 120.84 0.352 . . . . 73.03 110.894 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.825 0.345 . . . . 74.43 110.919 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -123.14 -94.91 0.48 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 75.14 110.954 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.58 16.42 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.072 -0.513 . . . . 73.41 110.866 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.522 ' O ' HG12 ' A' ' 7' ' ' VAL . 2.7 mtt-85 -121.41 2.73 10.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 75.4 110.885 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -41.86 -34.51 0.67 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 73.31 110.84 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.91 ' O ' ' N ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -57.96 -46.97 84.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 73.44 110.921 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.828 ' N ' ' CD1' ' A' ' 6' ' ' PHE . 0.6 OUTLIER 11.42 43.17 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.096 -0.502 . . . . 74.12 111.163 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.91 ' N ' ' O ' ' A' ' 6' ' ' PHE . 4.1 m -59.5 14.16 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 73.2 111.088 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.713 ' H ' ' C ' ' A' ' 7' ' ' VAL . . . -92.45 35.0 4.19 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.777 -0.725 . . . . 73.01 112.433 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-O 120.793 0.33 . . . . 74.34 110.875 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 1.2 tt . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.853 0.358 . . . . 75.31 110.898 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -123.08 -94.56 0.49 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 72.32 110.92 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -178.2 16.95 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 74.3 110.842 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.516 ' O ' HG12 ' A' ' 7' ' ' VAL . 0.0 OUTLIER -121.34 1.21 10.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 74.13 110.892 -179.937 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 8.7 ptt-85 -41.92 -34.37 0.67 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 75.23 110.843 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.922 ' O ' ' N ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -58.08 -47.08 84.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 74.54 110.924 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.837 ' N ' ' CD1' ' A' ' 6' ' ' PHE . 0.6 OUTLIER 11.56 43.05 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.485 . . . . 72.5 111.101 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.922 ' N ' ' O ' ' A' ' 6' ' ' PHE . 4.1 m -59.68 14.44 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 65.44 111.16 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.698 ' H ' ' C ' ' A' ' 7' ' ' VAL . . . -102.26 39.99 2.58 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.713 -0.756 . . . . 73.54 112.501 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-O 120.787 0.327 . . . . 75.22 110.842 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 1.1 tt . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.841 0.353 . . . . 74.4 110.868 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -122.98 -94.71 0.49 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 75.13 110.933 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -177.51 16.51 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.111 -0.495 . . . . 75.41 110.886 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.513 ' O ' HG12 ' A' ' 7' ' ' VAL . 2.1 mtp85 -121.7 2.08 10.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 75.14 110.879 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -41.67 -34.65 0.63 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 75.44 110.851 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.908 ' O ' ' N ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -57.92 -47.19 83.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 71.45 110.869 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.84 ' N ' ' CD1' ' A' ' 6' ' ' PHE . 0.6 OUTLIER 11.6 42.99 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 62.33 111.131 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.908 ' N ' ' O ' ' A' ' 6' ' ' PHE . 4.1 m -59.79 15.15 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 72.41 111.132 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.699 ' H ' ' C ' ' A' ' 7' ' ' VAL . . . -102.08 40.14 2.53 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.749 -0.739 . . . . 52.14 112.464 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-O 120.839 0.352 . . . . 75.55 110.842 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 1.3 tt . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.85 0.357 . . . . 74.4 110.927 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -123.22 -95.03 0.48 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 74.22 110.928 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 178.85 22.32 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.095 -0.502 . . . . 74.24 110.891 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.518 ' O ' HG12 ' A' ' 7' ' ' VAL . 6.6 mtt180 -122.77 -3.07 8.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 73.54 110.896 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -41.96 -34.12 0.64 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 74.41 110.894 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.91 ' O ' ' N ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -58.49 -47.03 85.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 75.44 110.882 -179.939 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.826 ' N ' ' CD1' ' A' ' 6' ' ' PHE . 0.6 OUTLIER 11.46 43.06 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 73.11 111.114 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.91 ' N ' ' O ' ' A' ' 6' ' ' PHE . 4.2 m -59.56 14.24 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 73.44 111.146 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.7 ' H ' ' C ' ' A' ' 7' ' ' VAL . . . -92.57 35.24 4.12 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.735 -0.745 . . . . 72.5 112.478 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-O 120.782 0.325 . . . . 75.14 110.856 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.874 0.369 . . . . 75.11 110.894 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -121.93 -97.33 0.46 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 74.2 110.945 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -176.35 28.47 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 64.41 110.853 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.525 ' O ' HG12 ' A' ' 7' ' ' VAL . 1.8 ptm180 -121.7 -7.82 9.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 71.5 110.87 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -42.5 -32.63 0.57 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 73.32 110.865 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.927 ' O ' ' N ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -61.13 -46.96 88.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 73.41 110.866 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.829 ' N ' ' CD1' ' A' ' 6' ' ' PHE . 0.7 OUTLIER 11.53 43.08 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 73.15 111.132 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.927 ' N ' ' O ' ' A' ' 6' ' ' PHE . 4.2 m -59.65 14.34 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 73.52 111.146 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.705 ' H ' ' C ' ' A' ' 7' ' ' VAL . . . -101.94 39.85 2.62 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.771 -0.728 . . . . 73.42 112.477 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.333 0 CA-C-O 120.815 0.34 . . . . 73.04 110.843 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.807 0.337 . . . . 74.53 110.961 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -122.02 -94.15 0.5 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 72.11 110.92 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 177.18 22.82 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.098 -0.501 . . . . 71.22 110.894 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.531 ' O ' HG12 ' A' ' 7' ' ' VAL . 7.5 mtp180 -122.71 -4.37 8.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 73.13 110.927 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.7 ptt85 -42.15 -33.57 0.62 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 75.32 110.918 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.916 ' O ' ' N ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -59.34 -47.02 87.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 74.31 110.875 -179.933 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.839 ' N ' ' CD1' ' A' ' 6' ' ' PHE . 0.6 OUTLIER 11.47 43.1 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 75.44 111.12 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.916 ' N ' ' O ' ' A' ' 6' ' ' PHE . 4.2 m -59.59 14.2 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 73.02 111.142 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.703 ' H ' ' C ' ' A' ' 7' ' ' VAL . . . -92.55 35.21 4.13 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.731 -0.747 . . . . 72.43 112.497 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.274 0 CA-C-O 120.849 0.357 . . . . 74.11 110.89 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 1.1 tt . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.831 0.348 . . . . 72.43 110.928 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -122.83 -94.73 0.49 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 74.11 110.907 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -177.41 14.2 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 73.42 110.875 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.524 ' O ' HG12 ' A' ' 7' ' ' VAL . 12.1 mmt180 -118.22 1.13 11.87 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.184 -0.462 . . . . 74.04 110.841 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -41.64 -34.69 0.63 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 72.41 110.849 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.931 ' O ' ' N ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -57.89 -47.15 83.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 74.43 110.913 -179.938 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.835 ' N ' ' CD1' ' A' ' 6' ' ' PHE . 0.6 OUTLIER 11.54 43.04 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.122 -0.49 . . . . 74.52 111.1 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.931 ' N ' ' O ' ' A' ' 6' ' ' PHE . 4.2 m -59.57 14.15 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 73.45 111.132 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.718 ' H ' ' C ' ' A' ' 7' ' ' VAL . . . -92.73 35.33 4.11 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.702 -0.761 . . . . 53.54 112.5 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 11.8 mmm180 . . . . . 0 C--N 1.329 -0.301 0 CA-C-O 120.784 0.326 . . . . 74.32 110.837 -179.868 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 1.3 tt . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.79 0.329 . . . . 73.02 110.957 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -122.92 -95.93 0.47 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 72.22 110.919 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.09 19.3 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.074 -0.512 . . . . 74.24 110.883 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.513 ' O ' HG12 ' A' ' 7' ' ' VAL . 7.0 mmt-85 -120.51 -0.61 10.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 74.15 110.895 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.1 ptt180 -41.72 -34.47 0.62 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 75.34 110.835 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.914 ' O ' ' N ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -58.04 -47.15 83.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 74.14 110.877 -179.92 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.82 ' N ' ' CD1' ' A' ' 6' ' ' PHE . 0.6 OUTLIER 11.55 43.02 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.125 -0.489 . . . . 72.13 111.135 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.914 ' N ' ' O ' ' A' ' 6' ' ' PHE . 4.2 m -59.52 14.23 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 75.32 111.105 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.707 ' H ' ' C ' ' A' ' 7' ' ' VAL . . . -92.57 35.19 4.14 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.745 -0.741 . . . . 60.35 112.473 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.282 0 CA-C-O 120.822 0.344 . . . . 75.13 110.905 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 1.3 tt . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.829 0.347 . . . . 74.22 110.92 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -122.91 -95.95 0.47 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 74.21 110.893 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.12 19.43 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 72.52 110.837 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.512 ' O ' HG12 ' A' ' 7' ' ' VAL . 7.0 mmt-85 -120.56 -0.65 10.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 72.11 110.853 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.1 ptt180 -41.73 -34.43 0.62 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 75.21 110.889 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.92 ' O ' ' N ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -58.06 -47.13 84.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 73.25 110.844 -179.909 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.821 ' N ' ' CD1' ' A' ' 6' ' ' PHE . 0.6 OUTLIER 11.49 43.09 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 72.52 111.134 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.92 ' N ' ' O ' ' A' ' 6' ' ' PHE . 4.2 m -59.66 14.27 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.471 . . . . 64.43 111.109 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.713 ' H ' ' C ' ' A' ' 7' ' ' VAL . . . -92.56 35.14 4.16 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.755 -0.736 . . . . 73.33 112.488 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.271 0 CA-C-O 120.802 0.334 . . . . 72.44 110.88 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 1.4 tt . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.816 0.341 . . . . 54.32 110.936 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . 0.451 ' CD1' ' N ' ' A' ' 2' ' ' TYR . 0.1 OUTLIER -122.98 -98.59 0.43 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 70.42 110.932 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -160.24 5.53 0.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 74.32 110.861 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.503 ' O ' HG12 ' A' ' 7' ' ' VAL . 1.9 mtp85 -120.56 19.32 11.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 74.02 110.9 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.7 ptm180 -41.02 -36.06 0.62 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 73.2 110.863 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.928 ' O ' ' N ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -56.8 -46.75 81.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 73.12 110.881 -179.893 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.836 ' N ' ' CD1' ' A' ' 6' ' ' PHE . 0.7 OUTLIER 11.66 42.9 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 73.43 111.127 179.938 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.928 ' N ' ' O ' ' A' ' 6' ' ' PHE . 4.1 m -59.57 14.05 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.478 . . . . 75.42 111.094 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.713 ' H ' ' C ' ' A' ' 7' ' ' VAL . . . -101.09 39.53 2.71 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.733 -0.746 . . . . 75.41 112.504 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-O 120.857 0.36 . . . . 73.33 110.88 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.787 0.327 . . . . 72.12 110.973 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . 0.456 ' CD1' ' N ' ' A' ' 2' ' ' TYR . 0.1 OUTLIER -122.76 -98.83 0.43 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.262 -0.426 . . . . 72.33 110.984 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -161.74 7.12 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 70.24 110.876 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.533 ' O ' HG12 ' A' ' 7' ' ' VAL . 42.5 mmm-85 -115.39 6.81 14.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 75.52 110.826 -179.83 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 8.1 ptt180 -40.94 -35.56 0.54 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 65.02 110.866 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.916 ' O ' ' N ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -57.4 -47.6 81.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 70.11 110.857 -179.933 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.84 ' N ' ' CD1' ' A' ' 6' ' ' PHE . 0.6 OUTLIER 11.51 43.01 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 73.44 111.144 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.916 ' N ' ' O ' ' A' ' 6' ' ' PHE . 4.1 m -59.85 15.13 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.168 -0.469 . . . . 75.33 111.076 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.697 ' H ' ' C ' ' A' ' 7' ' ' VAL . . . -101.88 40.03 2.56 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.804 -0.712 . . . . 71.14 112.488 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-O 120.838 0.351 . . . . 74.22 110.882 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . 0.411 ' CD1' ' CE1' ' A' ' 2' ' ' TYR . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.894 0.378 . . . . 72.34 110.919 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . 0.467 ' O ' ' HB3' ' A' ' 3' ' ' ARG . 0.1 OUTLIER -124.99 -87.9 0.61 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.485 . . . . 74.44 110.942 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.467 ' HB3' ' O ' ' A' ' 2' ' ' TYR . 0.1 OUTLIER 177.11 11.41 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.489 . . . . 64.45 110.844 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.534 ' O ' HG12 ' A' ' 7' ' ' VAL . 12.1 mmt85 -114.83 -7.33 12.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 74.23 110.89 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -42.54 -32.62 0.58 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 74.21 110.865 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.914 ' O ' ' N ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -61.09 -46.92 88.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 73.31 110.904 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.826 ' N ' ' CD1' ' A' ' 6' ' ' PHE . 0.7 OUTLIER 11.54 43.02 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 73.31 111.137 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.914 ' N ' ' O ' ' A' ' 6' ' ' PHE . 4.2 m -59.47 14.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 74.41 111.122 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.706 ' H ' ' C ' ' A' ' 7' ' ' VAL . . . -92.51 35.28 4.1 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.725 -0.75 . . . . 64.34 112.479 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.327 0 CA-C-O 120.815 0.34 . . . . 74.43 110.838 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.882 0.372 . . . . 72.52 110.87 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -121.08 -84.07 0.66 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 74.55 110.891 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -177.05 24.0 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 74.24 110.863 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.8 mtp85 -121.57 41.75 3.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 73.52 110.908 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.7 36.5 4.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 73.53 110.822 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.51 ' CE1' ' CG1' ' A' ' 8' ' ' VAL . 0.5 OUTLIER -120.86 -131.46 0.29 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 74.13 110.868 -179.92 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.727 ' C ' ' H ' ' A' ' 9' ' ' GLY . 27.8 m -64.06 -3.77 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.122 -0.49 . . . . 72.34 111.107 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.51 ' CG1' ' CE1' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -58.56 15.98 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 73.11 111.146 179.88 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.727 ' H ' ' C ' ' A' ' 7' ' ' VAL . . . -93.06 34.91 4.31 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.783 -0.722 . . . . 74.0 112.464 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 16.2 mmm-85 . . . . . 0 C--N 1.328 -0.331 0 CA-C-O 120.753 0.311 . . . . 75.23 110.899 -179.884 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 1.1 tt . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.831 0.348 . . . . 75.31 110.897 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -123.01 -94.33 0.5 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 73.34 110.932 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.15 16.11 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.111 -0.495 . . . . 74.53 110.878 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.519 ' O ' HG12 ' A' ' 7' ' ' VAL . 4.3 mtt-85 -121.12 1.76 10.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 74.23 110.892 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 4.3 ptt85 -41.85 -34.41 0.66 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 75.43 110.862 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.921 ' O ' ' N ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -58.13 -47.02 84.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 74.1 110.843 -179.86 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.828 ' N ' ' CD1' ' A' ' 6' ' ' PHE . 0.6 OUTLIER 11.54 43.08 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 74.54 111.098 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.921 ' N ' ' O ' ' A' ' 6' ' ' PHE . 4.2 m -59.62 14.22 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 74.01 111.135 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.69 ' H ' ' C ' ' A' ' 7' ' ' VAL . . . -92.55 35.13 4.16 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.764 -0.732 . . . . 71.15 112.499 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-O 120.784 0.326 . . . . 73.33 110.852 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 1.2 tt . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.778 0.323 . . . . 70.41 110.946 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -123.05 -94.46 0.49 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 74.44 110.947 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.22 17.05 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 75.54 110.889 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.518 ' O ' HG12 ' A' ' 7' ' ' VAL . 7.0 mtp180 -121.55 1.3 10.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 75.44 110.926 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 4.6 ptt85 -41.93 -34.39 0.67 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 64.33 110.805 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.918 ' O ' ' N ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -58.1 -47.06 84.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 71.14 110.89 -179.921 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.838 ' N ' ' CD1' ' A' ' 6' ' ' PHE . 0.6 OUTLIER 11.49 43.07 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 63.14 111.158 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.918 ' N ' ' O ' ' A' ' 6' ' ' PHE . 4.1 m -59.68 14.49 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 74.55 111.102 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.695 ' H ' ' C ' ' A' ' 7' ' ' VAL . . . -102.32 39.98 2.58 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.758 -0.734 . . . . 65.4 112.457 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-O 120.812 0.339 . . . . 74.03 110.859 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 1.1 tt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.83 0.348 . . . . 72.02 110.938 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -123.03 -94.31 0.5 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 75.51 110.898 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.08 16.1 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 73.21 110.895 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.509 ' O ' HG12 ' A' ' 7' ' ' VAL . 6.9 mtp180 -121.24 1.81 10.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 74.31 110.888 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 8.4 ptt-85 -41.8 -34.44 0.64 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 74.44 110.869 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.916 ' O ' ' N ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -58.06 -47.08 84.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 73.1 110.86 -179.922 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.837 ' N ' ' CD1' ' A' ' 6' ' ' PHE . 0.6 OUTLIER 11.54 43.08 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.463 . . . . 74.04 111.137 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.916 ' N ' ' O ' ' A' ' 6' ' ' PHE . 4.1 m -59.69 14.48 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 74.3 111.103 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.71 ' H ' ' C ' ' A' ' 7' ' ' VAL . . . -102.36 40.08 2.55 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.701 -0.762 . . . . 75.2 112.474 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-O 120.803 0.335 . . . . 65.13 110.864 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 1.2 tt . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.8 0.334 . . . . 74.22 110.919 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -123.01 -94.83 0.49 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 74.52 110.9 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.415 ' NE ' ' HE ' ' A' ' 4' ' ' ARG . 0.0 OUTLIER -177.54 16.97 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.484 . . . . 73.0 110.905 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.525 ' O ' HG12 ' A' ' 7' ' ' VAL . 3.2 mtt-85 -121.79 1.64 9.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 74.32 110.842 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -41.58 -34.68 0.61 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 64.41 110.869 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.911 ' O ' ' N ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -57.96 -47.16 83.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 73.44 110.857 -179.887 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.828 ' N ' ' CD1' ' A' ' 6' ' ' PHE . 0.6 OUTLIER 11.55 43.02 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 73.4 111.143 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.911 ' N ' ' O ' ' A' ' 6' ' ' PHE . 4.2 m -59.57 14.18 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 74.2 111.104 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.709 ' H ' ' C ' ' A' ' 7' ' ' VAL . . . -92.48 35.15 4.15 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.726 -0.749 . . . . 70.32 112.51 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-O 120.796 0.332 . . . . 74.11 110.89 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.809 0.338 . . . . 75.44 110.931 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -122.21 -93.9 0.51 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.169 -0.468 . . . . 74.21 110.907 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.1 15.87 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.488 . . . . 74.22 110.85 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.526 ' O ' HG12 ' A' ' 7' ' ' VAL . 8.6 mtp180 -121.62 1.79 10.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 73.31 110.833 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.4 ptt180 -41.71 -34.55 0.63 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 64.54 110.883 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.921 ' O ' ' N ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -58.02 -47.09 84.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 75.32 110.855 -179.943 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.831 ' N ' ' CD1' ' A' ' 6' ' ' PHE . 0.6 OUTLIER 11.54 42.99 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.484 . . . . 74.34 111.157 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.921 ' N ' ' O ' ' A' ' 6' ' ' PHE . 4.1 m -59.54 14.17 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 72.11 111.114 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.697 ' H ' ' C ' ' A' ' 7' ' ' VAL . . . -92.53 35.19 4.14 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.715 -0.755 . . . . 74.31 112.51 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.291 0 CA-C-O 120.787 0.327 . . . . 70.21 110.883 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.823 0.344 . . . . 73.43 110.897 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -122.19 -94.24 0.5 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.466 . . . . 73.41 110.924 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.0 15.41 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.103 -0.498 . . . . 73.12 110.85 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.524 ' O ' HG12 ' A' ' 7' ' ' VAL . 7.0 mtp180 -121.46 3.01 10.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 75.23 110.902 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.1 ptm180 -41.7 -34.59 0.63 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 74.32 110.862 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.921 ' O ' ' N ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -57.97 -47.12 83.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 74.52 110.877 -179.928 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.82 ' N ' ' CD1' ' A' ' 6' ' ' PHE . 0.6 OUTLIER 11.58 42.95 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 63.54 111.148 179.927 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.921 ' N ' ' O ' ' A' ' 6' ' ' PHE . 4.1 m -59.55 14.26 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 71.33 111.149 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.698 ' H ' ' C ' ' A' ' 7' ' ' VAL . . . -92.6 35.23 4.13 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.72 -0.752 . . . . 73.21 112.472 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-O 120.814 0.34 . . . . 75.43 110.879 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 1.1 tt . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.788 0.328 . . . . 74.33 110.929 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -122.84 -94.89 0.49 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 72.32 110.915 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -177.56 16.4 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.086 -0.506 . . . . 73.31 110.907 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.513 ' O ' HG12 ' A' ' 7' ' ' VAL . 7.5 mtp180 -121.63 2.93 10.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 75.52 110.899 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.9 ptt180 -41.6 -34.68 0.62 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 75.32 110.851 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.912 ' O ' ' N ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -57.96 -47.18 83.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 74.32 110.844 -179.894 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.839 ' N ' ' CD1' ' A' ' 6' ' ' PHE . 0.6 OUTLIER 11.59 43.02 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 72.42 111.097 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.912 ' N ' ' O ' ' A' ' 6' ' ' PHE . 4.1 m -59.69 14.53 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 70.11 111.121 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.686 ' H ' ' C ' ' A' ' 7' ' ' VAL . . . -102.43 40.04 2.56 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.751 -0.738 . . . . 74.03 112.479 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.328 0 CA-C-O 120.84 0.352 . . . . 73.03 110.894 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.825 0.345 . . . . 74.43 110.919 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -123.14 -94.91 0.48 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 75.14 110.954 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.58 16.42 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.072 -0.513 . . . . 73.41 110.866 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.522 ' O ' HG12 ' A' ' 7' ' ' VAL . 2.7 mtt-85 -121.41 2.73 10.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 75.4 110.885 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -41.86 -34.51 0.67 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 73.31 110.84 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.91 ' O ' ' N ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -57.96 -46.97 84.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 73.44 110.921 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.828 ' N ' ' CD1' ' A' ' 6' ' ' PHE . 0.6 OUTLIER 11.42 43.17 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.096 -0.502 . . . . 74.12 111.163 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.91 ' N ' ' O ' ' A' ' 6' ' ' PHE . 4.1 m -59.5 14.16 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 73.2 111.088 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.713 ' H ' ' C ' ' A' ' 7' ' ' VAL . . . -92.45 35.0 4.19 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.777 -0.725 . . . . 73.01 112.433 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-O 120.793 0.33 . . . . 74.34 110.875 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 1.2 tt . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.853 0.358 . . . . 75.31 110.898 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -123.08 -94.56 0.49 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 72.32 110.92 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -178.2 16.95 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 74.3 110.842 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.516 ' O ' HG12 ' A' ' 7' ' ' VAL . 0.0 OUTLIER -121.34 1.21 10.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 74.13 110.892 -179.937 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 8.7 ptt-85 -41.92 -34.37 0.67 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 75.23 110.843 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.922 ' O ' ' N ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -58.08 -47.08 84.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 74.54 110.924 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.837 ' N ' ' CD1' ' A' ' 6' ' ' PHE . 0.6 OUTLIER 11.56 43.05 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.485 . . . . 72.5 111.101 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.922 ' N ' ' O ' ' A' ' 6' ' ' PHE . 4.1 m -59.68 14.44 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 65.44 111.16 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.698 ' H ' ' C ' ' A' ' 7' ' ' VAL . . . -102.26 39.99 2.58 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.713 -0.756 . . . . 73.54 112.501 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-O 120.787 0.327 . . . . 75.22 110.842 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 1.1 tt . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.841 0.353 . . . . 74.4 110.868 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -122.98 -94.71 0.49 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 75.13 110.933 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -177.51 16.51 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.111 -0.495 . . . . 75.41 110.886 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.513 ' O ' HG12 ' A' ' 7' ' ' VAL . 2.1 mtp85 -121.7 2.08 10.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 75.14 110.879 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -41.67 -34.65 0.63 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 75.44 110.851 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.908 ' O ' ' N ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -57.92 -47.19 83.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 71.45 110.869 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.84 ' N ' ' CD1' ' A' ' 6' ' ' PHE . 0.6 OUTLIER 11.6 42.99 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 62.33 111.131 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.908 ' N ' ' O ' ' A' ' 6' ' ' PHE . 4.1 m -59.79 15.15 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 72.41 111.132 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.699 ' H ' ' C ' ' A' ' 7' ' ' VAL . . . -102.08 40.14 2.53 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.749 -0.739 . . . . 52.14 112.464 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-O 120.839 0.352 . . . . 75.55 110.842 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 1.3 tt . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.85 0.357 . . . . 74.4 110.927 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -123.22 -95.03 0.48 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 74.22 110.928 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 178.85 22.32 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.095 -0.502 . . . . 74.24 110.891 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.518 ' O ' HG12 ' A' ' 7' ' ' VAL . 6.6 mtt180 -122.77 -3.07 8.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 73.54 110.896 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -41.96 -34.12 0.64 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 74.41 110.894 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.91 ' O ' ' N ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -58.49 -47.03 85.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 75.44 110.882 -179.939 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.826 ' N ' ' CD1' ' A' ' 6' ' ' PHE . 0.6 OUTLIER 11.46 43.06 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 73.11 111.114 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.91 ' N ' ' O ' ' A' ' 6' ' ' PHE . 4.2 m -59.56 14.24 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 73.44 111.146 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.7 ' H ' ' C ' ' A' ' 7' ' ' VAL . . . -92.57 35.24 4.12 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.735 -0.745 . . . . 72.5 112.478 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-O 120.782 0.325 . . . . 75.14 110.856 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.874 0.369 . . . . 75.11 110.894 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -121.93 -97.33 0.46 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 74.2 110.945 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -176.35 28.47 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 64.41 110.853 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.525 ' O ' HG12 ' A' ' 7' ' ' VAL . 1.8 ptm180 -121.7 -7.82 9.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 71.5 110.87 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -42.5 -32.63 0.57 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 73.32 110.865 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.927 ' O ' ' N ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -61.13 -46.96 88.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 73.41 110.866 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.829 ' N ' ' CD1' ' A' ' 6' ' ' PHE . 0.7 OUTLIER 11.53 43.08 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 73.15 111.132 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.927 ' N ' ' O ' ' A' ' 6' ' ' PHE . 4.2 m -59.65 14.34 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 73.52 111.146 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.705 ' H ' ' C ' ' A' ' 7' ' ' VAL . . . -101.94 39.85 2.62 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.771 -0.728 . . . . 73.42 112.477 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.333 0 CA-C-O 120.815 0.34 . . . . 73.04 110.843 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.807 0.337 . . . . 74.53 110.961 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -122.02 -94.15 0.5 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 72.11 110.92 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 177.18 22.82 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.098 -0.501 . . . . 71.22 110.894 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.531 ' O ' HG12 ' A' ' 7' ' ' VAL . 7.5 mtp180 -122.71 -4.37 8.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 73.13 110.927 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.7 ptt85 -42.15 -33.57 0.62 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 75.32 110.918 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.916 ' O ' ' N ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -59.34 -47.02 87.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 74.31 110.875 -179.933 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.839 ' N ' ' CD1' ' A' ' 6' ' ' PHE . 0.6 OUTLIER 11.47 43.1 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 75.44 111.12 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.916 ' N ' ' O ' ' A' ' 6' ' ' PHE . 4.2 m -59.59 14.2 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 73.02 111.142 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.703 ' H ' ' C ' ' A' ' 7' ' ' VAL . . . -92.55 35.21 4.13 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.731 -0.747 . . . . 72.43 112.497 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.274 0 CA-C-O 120.849 0.357 . . . . 74.11 110.89 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 1.1 tt . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.831 0.348 . . . . 72.43 110.928 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -122.83 -94.73 0.49 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 74.11 110.907 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -177.41 14.2 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 73.42 110.875 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.524 ' O ' HG12 ' A' ' 7' ' ' VAL . 12.1 mmt180 -118.22 1.13 11.87 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.184 -0.462 . . . . 74.04 110.841 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -41.64 -34.69 0.63 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 72.41 110.849 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.931 ' O ' ' N ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -57.89 -47.15 83.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 74.43 110.913 -179.938 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.835 ' N ' ' CD1' ' A' ' 6' ' ' PHE . 0.6 OUTLIER 11.54 43.04 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.122 -0.49 . . . . 74.52 111.1 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.931 ' N ' ' O ' ' A' ' 6' ' ' PHE . 4.2 m -59.57 14.15 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 73.45 111.132 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.718 ' H ' ' C ' ' A' ' 7' ' ' VAL . . . -92.73 35.33 4.11 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.702 -0.761 . . . . 53.54 112.5 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 11.8 mmm180 . . . . . 0 C--N 1.329 -0.301 0 CA-C-O 120.784 0.326 . . . . 74.32 110.837 -179.868 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 1.3 tt . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.79 0.329 . . . . 73.02 110.957 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -122.92 -95.93 0.47 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 72.22 110.919 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.09 19.3 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.074 -0.512 . . . . 74.24 110.883 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.513 ' O ' HG12 ' A' ' 7' ' ' VAL . 7.0 mmt-85 -120.51 -0.61 10.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 74.15 110.895 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.1 ptt180 -41.72 -34.47 0.62 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 75.34 110.835 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.914 ' O ' ' N ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -58.04 -47.15 83.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 74.14 110.877 -179.92 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.82 ' N ' ' CD1' ' A' ' 6' ' ' PHE . 0.6 OUTLIER 11.55 43.02 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.125 -0.489 . . . . 72.13 111.135 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.914 ' N ' ' O ' ' A' ' 6' ' ' PHE . 4.2 m -59.52 14.23 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 75.32 111.105 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.707 ' H ' ' C ' ' A' ' 7' ' ' VAL . . . -92.57 35.19 4.14 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.745 -0.741 . . . . 60.35 112.473 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.282 0 CA-C-O 120.822 0.344 . . . . 75.13 110.905 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 1.3 tt . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.829 0.347 . . . . 74.22 110.92 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -122.91 -95.95 0.47 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 74.21 110.893 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.12 19.43 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 72.52 110.837 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.512 ' O ' HG12 ' A' ' 7' ' ' VAL . 7.0 mmt-85 -120.56 -0.65 10.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 72.11 110.853 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.1 ptt180 -41.73 -34.43 0.62 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 75.21 110.889 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.92 ' O ' ' N ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -58.06 -47.13 84.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 73.25 110.844 -179.909 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.821 ' N ' ' CD1' ' A' ' 6' ' ' PHE . 0.6 OUTLIER 11.49 43.09 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 72.52 111.134 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.92 ' N ' ' O ' ' A' ' 6' ' ' PHE . 4.2 m -59.66 14.27 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.471 . . . . 64.43 111.109 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.713 ' H ' ' C ' ' A' ' 7' ' ' VAL . . . -92.56 35.14 4.16 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.755 -0.736 . . . . 73.33 112.488 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.271 0 CA-C-O 120.802 0.334 . . . . 72.44 110.88 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 1.4 tt . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.816 0.341 . . . . 54.32 110.936 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . 0.451 ' CD1' ' N ' ' A' ' 2' ' ' TYR . 0.1 OUTLIER -122.98 -98.59 0.43 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 70.42 110.932 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -160.24 5.53 0.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 74.32 110.861 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.503 ' O ' HG12 ' A' ' 7' ' ' VAL . 1.9 mtp85 -120.56 19.32 11.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 74.02 110.9 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.7 ptm180 -41.02 -36.06 0.62 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 73.2 110.863 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.928 ' O ' ' N ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -56.8 -46.75 81.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 73.12 110.881 -179.893 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.836 ' N ' ' CD1' ' A' ' 6' ' ' PHE . 0.7 OUTLIER 11.66 42.9 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 73.43 111.127 179.938 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.928 ' N ' ' O ' ' A' ' 6' ' ' PHE . 4.1 m -59.57 14.05 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.478 . . . . 75.42 111.094 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.713 ' H ' ' C ' ' A' ' 7' ' ' VAL . . . -101.09 39.53 2.71 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.733 -0.746 . . . . 75.41 112.504 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-O 120.857 0.36 . . . . 73.33 110.88 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.787 0.327 . . . . 72.12 110.973 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . 0.456 ' CD1' ' N ' ' A' ' 2' ' ' TYR . 0.1 OUTLIER -122.76 -98.83 0.43 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.262 -0.426 . . . . 72.33 110.984 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -161.74 7.12 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 70.24 110.876 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.533 ' O ' HG12 ' A' ' 7' ' ' VAL . 42.5 mmm-85 -115.39 6.81 14.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 75.52 110.826 -179.83 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 8.1 ptt180 -40.94 -35.56 0.54 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 65.02 110.866 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.916 ' O ' ' N ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -57.4 -47.6 81.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 70.11 110.857 -179.933 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.84 ' N ' ' CD1' ' A' ' 6' ' ' PHE . 0.6 OUTLIER 11.51 43.01 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 73.44 111.144 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.916 ' N ' ' O ' ' A' ' 6' ' ' PHE . 4.1 m -59.85 15.13 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.168 -0.469 . . . . 75.33 111.076 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.697 ' H ' ' C ' ' A' ' 7' ' ' VAL . . . -101.88 40.03 2.56 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.804 -0.712 . . . . 71.14 112.488 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-O 120.838 0.351 . . . . 74.22 110.882 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . 0.411 ' CD1' ' CE1' ' A' ' 2' ' ' TYR . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.894 0.378 . . . . 72.34 110.919 . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . 0.467 ' O ' ' HB3' ' A' ' 3' ' ' ARG . 0.1 OUTLIER -124.99 -87.9 0.61 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.485 . . . . 74.44 110.942 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.467 ' HB3' ' O ' ' A' ' 2' ' ' TYR . 0.1 OUTLIER 177.11 11.41 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.489 . . . . 64.45 110.844 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.534 ' O ' HG12 ' A' ' 7' ' ' VAL . 12.1 mmt85 -114.83 -7.33 12.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 74.23 110.89 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -42.54 -32.62 0.58 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 74.21 110.865 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.914 ' O ' ' N ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -61.09 -46.92 88.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 73.31 110.904 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.826 ' N ' ' CD1' ' A' ' 6' ' ' PHE . 0.7 OUTLIER 11.54 43.02 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 73.31 111.137 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.914 ' N ' ' O ' ' A' ' 6' ' ' PHE . 4.2 m -59.47 14.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 74.41 111.122 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.706 ' H ' ' C ' ' A' ' 7' ' ' VAL . . . -92.51 35.28 4.1 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.725 -0.75 . . . . 64.34 112.479 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.327 0 CA-C-O 120.815 0.34 . . . . 74.43 110.838 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.882 0.372 . . . . 72.52 110.87 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -121.08 -84.07 0.66 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 74.55 110.891 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -177.05 24.0 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 74.24 110.863 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.8 mtp85 -121.57 41.75 3.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 73.52 110.908 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.7 36.5 4.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 73.53 110.822 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.51 ' CE1' ' CG1' ' A' ' 8' ' ' VAL . 0.5 OUTLIER -120.86 -131.46 0.29 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 74.13 110.868 -179.92 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.727 ' C ' ' H ' ' A' ' 9' ' ' GLY . 27.8 m -64.06 -3.77 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.122 -0.49 . . . . 72.34 111.107 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.51 ' CG1' ' CE1' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -58.56 15.98 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 73.11 111.146 179.88 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.727 ' H ' ' C ' ' A' ' 7' ' ' VAL . . . -93.06 34.91 4.31 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.783 -0.722 . . . . 74.0 112.464 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 16.2 mmm-85 . . . . . 0 C--N 1.328 -0.331 0 CA-C-O 120.753 0.311 . . . . 75.23 110.899 -179.884 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' LEU . . . . . 0.824 HD21 ' HD3' ' A' ' 5' ' ' ARG . 1.1 tt . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.831 0.348 . . . . 75.310000000000002 110.897 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 2' ' ' TYR . . . . . 0.557 ' N ' HD23 ' A' ' 1' ' ' LEU . 0.1 OUTLIER -123.01 -94.33 0.5 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 72.129999999999995 110.932 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.15 16.11 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.111 -0.495 . . . . 74.030000000000001 110.878 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.554 ' O ' HG22 ' A' ' 7' ' ' VAL . 4.3 mtt-85 -121.12 1.76 10.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 74.230000000000004 110.892 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.824 ' HD3' HD21 ' A' ' 1' ' ' LEU . 4.3 ptt85 -41.85 -34.41 0.66 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 75.430000000000007 110.862 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.921 ' O ' ' N ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -58.13 -47.02 84.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 74.099999999999994 110.843 -179.86 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.828 ' N ' ' CD1' ' A' ' 6' ' ' PHE . 0.6 OUTLIER 11.54 43.08 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 74.540000000000006 111.098 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.921 ' N ' ' O ' ' A' ' 6' ' ' PHE . 4.2 m -59.62 14.22 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 74.010000000000005 111.135 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.681 ' H ' ' C ' ' A' ' 7' ' ' VAL . . . -92.55 35.13 4.16 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.764 -0.732 . . . . 71.150000000000006 112.499 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-O 120.784 0.326 . . . . 73.140000000000001 110.852 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 1' ' ' LEU . . . . . 0.832 HD21 ' HD3' ' A' ' 5' ' ' ARG . 1.2 tt . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.778 0.323 . . . . 64.319999999999993 110.946 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' TYR . . . . . 0.552 ' N ' HD23 ' A' ' 1' ' ' LEU . 0.1 OUTLIER -123.05 -94.46 0.49 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 74.340000000000003 110.947 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.22 17.05 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 75.540000000000006 110.889 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.555 ' O ' HG22 ' A' ' 7' ' ' VAL . 7.0 mtp180 -121.55 1.3 10.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 75.439999999999998 110.926 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.832 ' HD3' HD21 ' A' ' 1' ' ' LEU . 4.6 ptt85 -41.93 -34.39 0.67 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 64.329999999999998 110.805 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.918 ' O ' ' N ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -58.1 -47.06 84.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 71.140000000000001 110.89 -179.921 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.838 ' N ' ' CD1' ' A' ' 6' ' ' PHE . 0.6 OUTLIER 11.49 43.07 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 51.340000000000003 111.158 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.918 ' N ' ' O ' ' A' ' 6' ' ' PHE . 4.1 m -59.68 14.49 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 73.450000000000003 111.102 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.661 ' H ' ' C ' ' A' ' 7' ' ' VAL . . . -102.32 39.98 2.58 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.758 -0.734 . . . . 55.299999999999997 112.457 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-O 120.812 0.339 . . . . 74.030000000000001 110.859 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 1' ' ' LEU . . . . . 0.826 HD21 ' HD3' ' A' ' 5' ' ' ARG . 1.1 tt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.83 0.348 . . . . 71.0 110.938 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' TYR . . . . . 0.55 ' N ' HD23 ' A' ' 1' ' ' LEU . 0.1 OUTLIER -123.03 -94.31 0.5 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 75.510000000000005 110.898 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.08 16.1 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 73.209999999999994 110.895 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.545 ' O ' HG22 ' A' ' 7' ' ' VAL . 6.9 mtp180 -121.24 1.81 10.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 71.230000000000004 110.888 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.826 ' HD3' HD21 ' A' ' 1' ' ' LEU . 8.4 ptt-85 -41.8 -34.44 0.64 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 74.439999999999998 110.869 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.916 ' O ' ' N ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -58.06 -47.08 84.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 73.099999999999994 110.86 -179.922 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.837 ' N ' ' CD1' ' A' ' 6' ' ' PHE . 0.6 OUTLIER 11.54 43.08 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.463 . . . . 52.009999999999998 111.137 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.916 ' N ' ' O ' ' A' ' 6' ' ' PHE . 4.1 m -59.69 14.48 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 74.109999999999999 111.103 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.65 ' H ' ' C ' ' A' ' 7' ' ' VAL . . . -102.36 40.08 2.55 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.701 -0.762 . . . . 71.510000000000005 112.474 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-O 120.803 0.335 . . . . 65.129999999999995 110.864 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 1' ' ' LEU . . . . . 0.639 HD21 ' HD2' ' A' ' 5' ' ' ARG . 1.2 tt . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.8 0.334 . . . . 74.219999999999999 110.919 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' TYR . . . . . 0.56 ' N ' HD23 ' A' ' 1' ' ' LEU . 0.1 OUTLIER -123.01 -94.83 0.49 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 74.129999999999995 110.9 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.45 ' NE ' ' HE ' ' A' ' 4' ' ' ARG . 0.0 OUTLIER -177.54 16.97 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.484 . . . . 73.0 110.905 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.557 ' O ' HG22 ' A' ' 7' ' ' VAL . 3.2 mtt-85 -121.79 1.64 9.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 74.319999999999993 110.842 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.639 ' HD2' HD21 ' A' ' 1' ' ' LEU . 0.2 OUTLIER -41.58 -34.68 0.61 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 60.210000000000001 110.869 -179.937 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.911 ' O ' ' N ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -57.96 -47.16 83.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 71.129999999999995 110.857 -179.887 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.828 ' N ' ' CD1' ' A' ' 6' ' ' PHE . 0.6 OUTLIER 11.55 43.02 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 73.400000000000006 111.143 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.911 ' N ' ' O ' ' A' ' 6' ' ' PHE . 4.2 m -59.57 14.18 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 74.200000000000003 111.104 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.682 ' H ' ' C ' ' A' ' 7' ' ' VAL . . . -92.48 35.15 4.15 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.726 -0.749 . . . . 70.319999999999993 112.51 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-O 120.796 0.332 . . . . 74.109999999999999 110.89 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.809 0.338 . . . . 74.420000000000002 110.931 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -122.21 -93.9 0.51 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.169 -0.468 . . . . 73.420000000000002 110.907 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.1 15.87 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.488 . . . . 71.340000000000003 110.85 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.553 ' O ' HG22 ' A' ' 7' ' ' VAL . 8.6 mtp180 -121.62 1.79 10.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 73.310000000000002 110.833 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.4 ptt180 -41.71 -34.55 0.63 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 64.540000000000006 110.883 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.921 ' O ' ' N ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -58.02 -47.09 84.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 75.319999999999993 110.855 -179.943 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.831 ' N ' ' CD1' ' A' ' 6' ' ' PHE . 0.6 OUTLIER 11.54 42.99 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.484 . . . . 71.430000000000007 111.157 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.921 ' N ' ' O ' ' A' ' 6' ' ' PHE . 4.1 m -59.54 14.17 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 44.140000000000001 111.114 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.668 ' H ' ' C ' ' A' ' 7' ' ' VAL . . . -92.53 35.19 4.14 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.715 -0.755 . . . . 74.310000000000002 112.51 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.291 0 CA-C-O 120.787 0.327 . . . . 62.030000000000001 110.883 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 1' ' ' LEU . . . . . 0.45 HD22 ' NH2' ' A' ' 5' ' ' ARG . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.823 0.344 . . . . 64.200000000000003 110.897 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -122.19 -94.24 0.5 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.466 . . . . 73.040000000000006 110.924 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.0 15.41 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.103 -0.498 . . . . 71.400000000000006 110.85 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.558 ' O ' HG22 ' A' ' 7' ' ' VAL . 7.0 mtp180 -121.46 3.01 10.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 71.219999999999999 110.902 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.45 ' NH2' HD22 ' A' ' 1' ' ' LEU . 2.1 ptm180 -41.7 -34.59 0.63 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 74.319999999999993 110.862 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.921 ' O ' ' N ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -57.97 -47.12 83.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 55.549999999999997 110.877 -179.928 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.82 ' N ' ' CD1' ' A' ' 6' ' ' PHE . 0.6 OUTLIER 11.58 42.95 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 63.539999999999999 111.148 179.927 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.921 ' N ' ' O ' ' A' ' 6' ' ' PHE . 4.1 m -59.55 14.26 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 71.329999999999998 111.149 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.682 ' H ' ' C ' ' A' ' 7' ' ' VAL . . . -92.6 35.23 4.13 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.72 -0.752 . . . . 73.209999999999994 112.472 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-O 120.814 0.34 . . . . 75.120000000000005 110.879 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 1' ' ' LEU . . . . . 0.809 HD21 ' HD3' ' A' ' 5' ' ' ARG . 1.1 tt . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.788 0.328 . . . . 74.150000000000006 110.929 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' TYR . . . . . 0.544 ' N ' HD23 ' A' ' 1' ' ' LEU . 0.1 OUTLIER -122.84 -94.89 0.49 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 72.319999999999993 110.915 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -177.56 16.4 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.086 -0.506 . . . . 72.409999999999997 110.907 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.556 ' O ' HG22 ' A' ' 7' ' ' VAL . 7.5 mtp180 -121.63 2.93 10.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 75.519999999999996 110.899 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.809 ' HD3' HD21 ' A' ' 1' ' ' LEU . 6.9 ptt180 -41.6 -34.68 0.62 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 75.319999999999993 110.851 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.912 ' O ' ' N ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -57.96 -47.18 83.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 72.230000000000004 110.844 -179.894 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.839 ' N ' ' CD1' ' A' ' 6' ' ' PHE . 0.6 OUTLIER 11.59 43.02 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 71.109999999999999 111.097 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.912 ' N ' ' O ' ' A' ' 6' ' ' PHE . 4.1 m -59.69 14.53 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 52.439999999999998 111.121 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.679 ' H ' ' C ' ' A' ' 7' ' ' VAL . . . -102.43 40.04 2.56 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.751 -0.738 . . . . 74.030000000000001 112.479 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.328 0 CA-C-O 120.84 0.352 . . . . 63.43 110.894 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 1' ' ' LEU . . . . . 0.666 HD21 ' HD2' ' A' ' 5' ' ' ARG . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.825 0.345 . . . . 74.430000000000007 110.919 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 2' ' ' TYR . . . . . 0.599 ' N ' HD23 ' A' ' 1' ' ' LEU . 0.1 OUTLIER -123.14 -94.91 0.48 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 73.519999999999996 110.954 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.58 16.42 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.072 -0.513 . . . . 63.210000000000001 110.866 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.555 ' O ' HG22 ' A' ' 7' ' ' VAL . 2.7 mtt-85 -121.41 2.73 10.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 73.299999999999997 110.885 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.666 ' HD2' HD21 ' A' ' 1' ' ' LEU . 0.2 OUTLIER -41.86 -34.51 0.67 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 72.329999999999998 110.84 -179.876 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.91 ' O ' ' N ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -57.96 -46.97 84.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 73.439999999999998 110.921 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.828 ' N ' ' CD1' ' A' ' 6' ' ' PHE . 0.6 OUTLIER 11.42 43.17 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.096 -0.502 . . . . 74.120000000000005 111.163 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.91 ' N ' ' O ' ' A' ' 6' ' ' PHE . 4.1 m -59.5 14.16 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 63.109999999999999 111.088 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.684 ' H ' ' C ' ' A' ' 7' ' ' VAL . . . -92.45 35.0 4.19 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.777 -0.725 . . . . 73.010000000000005 112.433 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-O 120.793 0.33 . . . . 61.409999999999997 110.875 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 1' ' ' LEU . . . . . 0.833 HD21 ' HD3' ' A' ' 5' ' ' ARG . 1.2 tt . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.853 0.358 . . . . 75.310000000000002 110.898 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' TYR . . . . . 0.554 ' N ' HD23 ' A' ' 1' ' ' LEU . 0.1 OUTLIER -123.08 -94.56 0.49 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 63.32 110.92 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -178.2 16.95 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 74.299999999999997 110.842 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.542 ' O ' HG22 ' A' ' 7' ' ' VAL . 0.0 OUTLIER -121.34 1.21 10.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 74.129999999999995 110.892 -179.937 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.833 ' HD3' HD21 ' A' ' 1' ' ' LEU . 8.7 ptt-85 -41.92 -34.37 0.67 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 74.510000000000005 110.843 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.922 ' O ' ' N ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -58.08 -47.08 84.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 74.540000000000006 110.924 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.837 ' N ' ' CD1' ' A' ' 6' ' ' PHE . 0.6 OUTLIER 11.56 43.05 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.485 . . . . 72.5 111.101 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.922 ' N ' ' O ' ' A' ' 6' ' ' PHE . 4.1 m -59.68 14.44 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 65.439999999999998 111.16 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.67 ' H ' ' C ' ' A' ' 7' ' ' VAL . . . -102.26 39.99 2.58 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.713 -0.756 . . . . 54.43 112.501 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-O 120.787 0.327 . . . . 75.219999999999999 110.842 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 1' ' ' LEU . . . . . 0.655 HD21 ' HD2' ' A' ' 5' ' ' ARG . 1.1 tt . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.841 0.353 . . . . 74.400000000000006 110.868 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' TYR . . . . . 0.546 ' N ' HD23 ' A' ' 1' ' ' LEU . 0.1 OUTLIER -122.98 -94.71 0.49 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 75.129999999999995 110.933 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -177.51 16.51 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.111 -0.495 . . . . 75.409999999999997 110.886 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.556 ' O ' HG22 ' A' ' 7' ' ' VAL . 2.1 mtp85 -121.7 2.08 10.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 64.319999999999993 110.879 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.655 ' HD2' HD21 ' A' ' 1' ' ' LEU . 0.2 OUTLIER -41.67 -34.65 0.63 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 75.439999999999998 110.851 -179.922 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.908 ' O ' ' N ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -57.92 -47.19 83.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 71.450000000000003 110.869 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.84 ' N ' ' CD1' ' A' ' 6' ' ' PHE . 0.6 OUTLIER 11.6 42.99 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 62.329999999999998 111.131 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.908 ' N ' ' O ' ' A' ' 6' ' ' PHE . 4.1 m -59.79 15.15 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 65.299999999999997 111.132 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.682 ' H ' ' C ' ' A' ' 7' ' ' VAL . . . -102.08 40.14 2.53 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.749 -0.739 . . . . 52.140000000000001 112.464 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-O 120.839 0.352 . . . . 74.109999999999999 110.842 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 1' ' ' LEU . . . . . 0.704 HD21 ' HD2' ' A' ' 5' ' ' ARG . 1.3 tt . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.85 0.357 . . . . 70.010000000000005 110.927 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 2' ' ' TYR . . . . . 0.559 ' N ' HD23 ' A' ' 1' ' ' LEU . 0.1 OUTLIER -123.22 -95.03 0.48 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 74.219999999999999 110.928 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 178.85 22.32 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.095 -0.502 . . . . 74.239999999999995 110.891 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.561 ' O ' HG22 ' A' ' 7' ' ' VAL . 6.6 mtt180 -122.77 -3.07 8.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 73.540000000000006 110.896 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.704 ' HD2' HD21 ' A' ' 1' ' ' LEU . 0.8 OUTLIER -41.96 -34.12 0.64 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 74.409999999999997 110.894 -179.915 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.91 ' O ' ' N ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -58.49 -47.03 85.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 62.350000000000001 110.882 -179.939 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.826 ' N ' ' CD1' ' A' ' 6' ' ' PHE . 0.6 OUTLIER 11.46 43.06 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 73.109999999999999 111.114 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.91 ' N ' ' O ' ' A' ' 6' ' ' PHE . 4.2 m -59.56 14.24 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 61.409999999999997 111.146 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.682 ' H ' ' C ' ' A' ' 7' ' ' VAL . . . -92.57 35.24 4.12 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.735 -0.745 . . . . 65.340000000000003 112.478 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-O 120.782 0.325 . . . . 75.140000000000001 110.856 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 1' ' ' LEU . . . . . 0.547 HD13 ' HD2' ' A' ' 5' ' ' ARG . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.874 0.369 . . . . 72.510000000000005 110.894 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -121.93 -97.33 0.46 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 74.200000000000003 110.945 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -176.35 28.47 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 61.420000000000002 110.853 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.584 ' O ' HG22 ' A' ' 7' ' ' VAL . 1.8 ptm180 -121.7 -7.82 9.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 71.5 110.87 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.547 ' HD2' HD13 ' A' ' 1' ' ' LEU . 0.4 OUTLIER -42.5 -32.63 0.57 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 73.319999999999993 110.865 -179.897 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.927 ' O ' ' N ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -61.13 -46.96 88.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 73.409999999999997 110.866 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.829 ' N ' ' CD1' ' A' ' 6' ' ' PHE . 0.7 OUTLIER 11.53 43.08 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 61.310000000000002 111.132 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.927 ' N ' ' O ' ' A' ' 6' ' ' PHE . 4.2 m -59.65 14.34 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 73.519999999999996 111.146 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.661 ' H ' ' C ' ' A' ' 7' ' ' VAL . . . -101.94 39.85 2.62 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.771 -0.728 . . . . 72.349999999999994 112.477 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.333 0 CA-C-O 120.815 0.34 . . . . 41.530000000000001 110.843 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.807 0.337 . . . . 74.530000000000001 110.961 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -122.02 -94.15 0.5 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 72.109999999999999 110.92 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 177.18 22.82 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.098 -0.501 . . . . 70.109999999999999 110.894 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.562 ' O ' HG22 ' A' ' 7' ' ' VAL . 7.5 mtp180 -122.71 -4.37 8.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 73.129999999999995 110.927 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.7 ptt85 -42.15 -33.57 0.62 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 75.319999999999993 110.918 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.916 ' O ' ' N ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -59.34 -47.02 87.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 73.099999999999994 110.875 -179.933 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.839 ' N ' ' CD1' ' A' ' 6' ' ' PHE . 0.6 OUTLIER 11.47 43.1 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 75.439999999999998 111.12 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.916 ' N ' ' O ' ' A' ' 6' ' ' PHE . 4.2 m -59.59 14.2 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 73.019999999999996 111.142 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.652 ' H ' ' C ' ' A' ' 7' ' ' VAL . . . -92.55 35.21 4.13 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.731 -0.747 . . . . 72.430000000000007 112.497 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.274 0 CA-C-O 120.849 0.357 . . . . 74.109999999999999 110.89 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 1' ' ' LEU . . . . . 0.656 HD21 ' HD2' ' A' ' 5' ' ' ARG . 1.1 tt . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.831 0.348 . . . . 72.430000000000007 110.928 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 2' ' ' TYR . . . . . 0.554 ' N ' HD23 ' A' ' 1' ' ' LEU . 0.1 OUTLIER -122.83 -94.73 0.49 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 73.140000000000001 110.907 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -177.41 14.2 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 73.420000000000002 110.875 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.559 ' O ' HG22 ' A' ' 7' ' ' VAL . 12.1 mmt180 -118.22 1.13 11.87 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.184 -0.462 . . . . 74.040000000000006 110.841 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.656 ' HD2' HD21 ' A' ' 1' ' ' LEU . 0.2 OUTLIER -41.64 -34.69 0.63 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 64.219999999999999 110.849 -179.869 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.931 ' O ' ' N ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -57.89 -47.15 83.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 74.430000000000007 110.913 -179.938 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.835 ' N ' ' CD1' ' A' ' 6' ' ' PHE . 0.6 OUTLIER 11.54 43.04 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.122 -0.49 . . . . 65.239999999999995 111.1 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.931 ' N ' ' O ' ' A' ' 6' ' ' PHE . 4.2 m -59.57 14.15 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 73.450000000000003 111.132 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.679 ' H ' ' C ' ' A' ' 7' ' ' VAL . . . -92.73 35.33 4.11 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.702 -0.761 . . . . 53.539999999999999 112.5 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 11.8 mmm180 . . . . . 0 C--N 1.329 -0.301 0 CA-C-O 120.784 0.326 . . . . 74.239999999999995 110.837 -179.868 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 1' ' ' LEU . . . . . 0.836 HD21 ' HD3' ' A' ' 5' ' ' ARG . 1.3 tt . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.79 0.329 . . . . 73.019999999999996 110.957 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 2' ' ' TYR . . . . . 0.565 ' N ' HD23 ' A' ' 1' ' ' LEU . 0.1 OUTLIER -122.92 -95.93 0.47 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 53.530000000000001 110.919 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.09 19.3 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.074 -0.512 . . . . 74.209999999999994 110.883 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.559 ' O ' HG22 ' A' ' 7' ' ' VAL . 7.0 mmt-85 -120.51 -0.61 10.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 74.150000000000006 110.895 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.836 ' HD3' HD21 ' A' ' 1' ' ' LEU . 7.1 ptt180 -41.72 -34.47 0.62 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 62.020000000000003 110.835 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.914 ' O ' ' N ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -58.04 -47.15 83.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 73.540000000000006 110.877 -179.92 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.82 ' N ' ' CD1' ' A' ' 6' ' ' PHE . 0.6 OUTLIER 11.55 43.02 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.125 -0.489 . . . . 65.239999999999995 111.135 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.914 ' N ' ' O ' ' A' ' 6' ' ' PHE . 4.2 m -59.52 14.23 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 72.120000000000005 111.105 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.684 ' H ' ' C ' ' A' ' 7' ' ' VAL . . . -92.57 35.19 4.14 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.745 -0.741 . . . . 60.350000000000001 112.473 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.282 0 CA-C-O 120.822 0.344 . . . . 75.129999999999995 110.905 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 1' ' ' LEU . . . . . 0.839 HD21 ' HD3' ' A' ' 5' ' ' ARG . 1.3 tt . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.829 0.347 . . . . 65.209999999999994 110.92 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 2' ' ' TYR . . . . . 0.564 ' N ' HD23 ' A' ' 1' ' ' LEU . 0.1 OUTLIER -122.91 -95.95 0.47 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 72.219999999999999 110.893 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.12 19.43 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 52.130000000000003 110.837 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.56 ' O ' HG22 ' A' ' 7' ' ' VAL . 7.0 mmt-85 -120.56 -0.65 10.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 62.149999999999999 110.853 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.839 ' HD3' HD21 ' A' ' 1' ' ' LEU . 7.1 ptt180 -41.73 -34.43 0.62 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 54.420000000000002 110.889 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.92 ' O ' ' N ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -58.06 -47.13 84.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 65.439999999999998 110.844 -179.909 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.821 ' N ' ' CD1' ' A' ' 6' ' ' PHE . 0.6 OUTLIER 11.49 43.09 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 72.519999999999996 111.134 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.92 ' N ' ' O ' ' A' ' 6' ' ' PHE . 4.2 m -59.66 14.27 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.471 . . . . 64.430000000000007 111.109 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.682 ' H ' ' C ' ' A' ' 7' ' ' VAL . . . -92.56 35.14 4.16 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.755 -0.736 . . . . 13.31 112.488 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.271 0 CA-C-O 120.802 0.334 . . . . 72.439999999999998 110.88 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 1' ' ' LEU . . . . . 0.563 HD23 ' N ' ' A' ' 2' ' ' TYR . 1.4 tt . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.816 0.341 . . . . 54.32 110.936 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 2' ' ' TYR . . . . . 0.563 ' N ' HD23 ' A' ' 1' ' ' LEU . 0.1 OUTLIER -122.98 -98.59 0.43 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 70.420000000000002 110.932 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -160.24 5.53 0.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 74.319999999999993 110.861 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.54 ' O ' HG13 ' A' ' 7' ' ' VAL . 1.9 mtp85 -120.56 19.32 11.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 70.540000000000006 110.9 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.445 ' HE ' HD11 ' A' ' 1' ' ' LEU . 2.7 ptm180 -41.02 -36.06 0.62 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 73.200000000000003 110.863 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.928 ' O ' ' N ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -56.8 -46.75 81.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 73.120000000000005 110.881 -179.893 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.836 ' N ' ' CD1' ' A' ' 6' ' ' PHE . 0.7 OUTLIER 11.66 42.9 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 62.200000000000003 111.127 179.938 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.928 ' N ' ' O ' ' A' ' 6' ' ' PHE . 4.1 m -59.57 14.05 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.478 . . . . 73.420000000000002 111.094 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.674 ' H ' ' C ' ' A' ' 7' ' ' VAL . . . -101.09 39.53 2.71 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.733 -0.746 . . . . 65.099999999999994 112.504 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-O 120.857 0.36 . . . . 73.329999999999998 110.88 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 1' ' ' LEU . . . . . 0.516 HD13 ' HD2' ' A' ' 5' ' ' ARG . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.787 0.327 . . . . 54.310000000000002 110.973 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 2' ' ' TYR . . . . . 0.456 ' CD1' ' N ' ' A' ' 2' ' ' TYR . 0.1 OUTLIER -122.76 -98.83 0.43 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.262 -0.426 . . . . 72.329999999999998 110.984 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -161.74 7.12 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 70.239999999999995 110.876 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.577 ' O ' HG22 ' A' ' 7' ' ' VAL . 42.5 mmm-85 -115.39 6.81 14.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 75.519999999999996 110.826 -179.83 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.516 ' HD2' HD13 ' A' ' 1' ' ' LEU . 8.1 ptt180 -40.94 -35.56 0.54 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 64.409999999999997 110.866 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.916 ' O ' ' N ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -57.4 -47.6 81.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 65.420000000000002 110.857 -179.933 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.84 ' N ' ' CD1' ' A' ' 6' ' ' PHE . 0.6 OUTLIER 11.51 43.01 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 53.439999999999998 111.144 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.916 ' N ' ' O ' ' A' ' 6' ' ' PHE . 4.1 m -59.85 15.13 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.168 -0.469 . . . . 75.329999999999998 111.076 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.683 ' H ' ' C ' ' A' ' 7' ' ' VAL . . . -101.88 40.03 2.56 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.804 -0.712 . . . . 42.32 112.488 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-O 120.838 0.351 . . . . 72.299999999999997 110.882 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 1' ' ' LEU . . . . . 0.465 HD12 ' H ' ' A' ' 2' ' ' TYR . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.894 0.378 . . . . 72.340000000000003 110.919 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 2' ' ' TYR . . . . . 0.47 ' O ' ' HB3' ' A' ' 3' ' ' ARG . 0.1 OUTLIER -124.99 -87.9 0.61 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.485 . . . . 74.439999999999998 110.942 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.47 ' HB3' ' O ' ' A' ' 2' ' ' TYR . 0.1 OUTLIER 177.11 11.41 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.489 . . . . 64.450000000000003 110.844 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.589 ' O ' HG22 ' A' ' 7' ' ' VAL . 12.1 mmt85 -114.83 -7.33 12.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 71.010000000000005 110.89 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -42.54 -32.62 0.58 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 74.209999999999994 110.865 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.914 ' O ' ' N ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -61.09 -46.92 88.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 73.310000000000002 110.904 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.826 ' N ' ' CD1' ' A' ' 6' ' ' PHE . 0.7 OUTLIER 11.54 43.02 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 73.310000000000002 111.137 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.914 ' N ' ' O ' ' A' ' 6' ' ' PHE . 4.2 m -59.47 14.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 64.310000000000002 111.122 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.683 ' H ' ' C ' ' A' ' 7' ' ' VAL . . . -92.51 35.28 4.1 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.725 -0.75 . . . . 64.340000000000003 112.479 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.327 0 CA-C-O 120.815 0.34 . . . . 71.329999999999998 110.838 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 1' ' ' LEU . . . . . 0.635 HD13 ' HG2' ' A' ' 5' ' ' ARG . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.882 0.372 . . . . 54.43 110.87 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 2' ' ' TYR . . . . . 0.539 ' N ' HD12 ' A' ' 1' ' ' LEU . 0.0 OUTLIER -121.08 -84.07 0.66 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 74.549999999999997 110.891 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -177.05 24.0 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 71.329999999999998 110.863 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.652 ' C ' HG21 ' A' ' 8' ' ' VAL . 1.8 mtp85 -121.57 41.75 3.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 53.240000000000002 110.908 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.635 ' HG2' HD13 ' A' ' 1' ' ' LEU . 0.0 OUTLIER -121.7 36.5 4.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 73.530000000000001 110.822 -179.898 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 1.005 ' CD2' HG22 ' A' ' 7' ' ' VAL . 0.5 OUTLIER -120.86 -131.46 0.29 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 74.129999999999995 110.868 -179.92 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 1.005 HG22 ' CD2' ' A' ' 6' ' ' PHE . 27.8 m -64.06 -3.77 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.122 -0.49 . . . . 72.340000000000003 111.107 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.776 HG13 ' CE1' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -58.56 15.98 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 72.439999999999998 111.146 179.88 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.69 ' H ' ' C ' ' A' ' 7' ' ' VAL . . . -93.06 34.91 4.31 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.783 -0.722 . . . . 70.409999999999997 112.464 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 16.2 mmm-85 . . . . . 0 C--N 1.328 -0.331 0 CA-C-O 120.753 0.311 . . . . 71.219999999999999 110.899 -179.884 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.824 HD21 ' HD3' ' A' ' 5' ' ' ARG . 1.1 tt . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.831 0.348 . . . . 75.310000000000002 110.897 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.557 ' N ' HD23 ' A' ' 1' ' ' LEU . 0.1 OUTLIER -123.01 -94.33 0.5 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 72.129999999999995 110.932 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.15 16.11 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.111 -0.495 . . . . 74.030000000000001 110.878 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.554 ' O ' HG22 ' A' ' 7' ' ' VAL . 4.3 mtt-85 -121.12 1.76 10.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 74.230000000000004 110.892 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.824 ' HD3' HD21 ' A' ' 1' ' ' LEU . 4.3 ptt85 -41.85 -34.41 0.66 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 75.430000000000007 110.862 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.921 ' O ' ' N ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -58.13 -47.02 84.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 74.099999999999994 110.843 -179.86 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.828 ' N ' ' CD1' ' A' ' 6' ' ' PHE . 0.6 OUTLIER 11.54 43.08 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 74.540000000000006 111.098 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.921 ' N ' ' O ' ' A' ' 6' ' ' PHE . 4.2 m -59.62 14.22 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 74.010000000000005 111.135 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.681 ' H ' ' C ' ' A' ' 7' ' ' VAL . . . -92.55 35.13 4.16 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.764 -0.732 . . . . 71.150000000000006 112.499 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-O 120.784 0.326 . . . . 73.140000000000001 110.852 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.832 HD21 ' HD3' ' A' ' 5' ' ' ARG . 1.2 tt . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.778 0.323 . . . . 64.319999999999993 110.946 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.552 ' N ' HD23 ' A' ' 1' ' ' LEU . 0.1 OUTLIER -123.05 -94.46 0.49 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 74.340000000000003 110.947 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.22 17.05 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 75.540000000000006 110.889 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.555 ' O ' HG22 ' A' ' 7' ' ' VAL . 7.0 mtp180 -121.55 1.3 10.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 75.439999999999998 110.926 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.832 ' HD3' HD21 ' A' ' 1' ' ' LEU . 4.6 ptt85 -41.93 -34.39 0.67 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 64.329999999999998 110.805 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.918 ' O ' ' N ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -58.1 -47.06 84.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 71.140000000000001 110.89 -179.921 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.838 ' N ' ' CD1' ' A' ' 6' ' ' PHE . 0.6 OUTLIER 11.49 43.07 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 51.340000000000003 111.158 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.918 ' N ' ' O ' ' A' ' 6' ' ' PHE . 4.1 m -59.68 14.49 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 73.450000000000003 111.102 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.661 ' H ' ' C ' ' A' ' 7' ' ' VAL . . . -102.32 39.98 2.58 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.758 -0.734 . . . . 55.299999999999997 112.457 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-O 120.812 0.339 . . . . 74.030000000000001 110.859 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.826 HD21 ' HD3' ' A' ' 5' ' ' ARG . 1.1 tt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.83 0.348 . . . . 71.0 110.938 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.55 ' N ' HD23 ' A' ' 1' ' ' LEU . 0.1 OUTLIER -123.03 -94.31 0.5 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 75.510000000000005 110.898 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.08 16.1 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 73.209999999999994 110.895 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.545 ' O ' HG22 ' A' ' 7' ' ' VAL . 6.9 mtp180 -121.24 1.81 10.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 71.230000000000004 110.888 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.826 ' HD3' HD21 ' A' ' 1' ' ' LEU . 8.4 ptt-85 -41.8 -34.44 0.64 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 74.439999999999998 110.869 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.916 ' O ' ' N ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -58.06 -47.08 84.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 73.099999999999994 110.86 -179.922 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.837 ' N ' ' CD1' ' A' ' 6' ' ' PHE . 0.6 OUTLIER 11.54 43.08 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.463 . . . . 52.009999999999998 111.137 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.916 ' N ' ' O ' ' A' ' 6' ' ' PHE . 4.1 m -59.69 14.48 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 74.109999999999999 111.103 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.65 ' H ' ' C ' ' A' ' 7' ' ' VAL . . . -102.36 40.08 2.55 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.701 -0.762 . . . . 71.510000000000005 112.474 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-O 120.803 0.335 . . . . 65.129999999999995 110.864 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.639 HD21 ' HD2' ' A' ' 5' ' ' ARG . 1.2 tt . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.8 0.334 . . . . 74.219999999999999 110.919 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.56 ' N ' HD23 ' A' ' 1' ' ' LEU . 0.1 OUTLIER -123.01 -94.83 0.49 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 74.129999999999995 110.9 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.45 ' NE ' ' HE ' ' A' ' 4' ' ' ARG . 0.0 OUTLIER -177.54 16.97 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.484 . . . . 73.0 110.905 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.557 ' O ' HG22 ' A' ' 7' ' ' VAL . 3.2 mtt-85 -121.79 1.64 9.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 74.319999999999993 110.842 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.639 ' HD2' HD21 ' A' ' 1' ' ' LEU . 0.2 OUTLIER -41.58 -34.68 0.61 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 60.210000000000001 110.869 -179.937 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.911 ' O ' ' N ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -57.96 -47.16 83.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 71.129999999999995 110.857 -179.887 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.828 ' N ' ' CD1' ' A' ' 6' ' ' PHE . 0.6 OUTLIER 11.55 43.02 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 73.400000000000006 111.143 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.911 ' N ' ' O ' ' A' ' 6' ' ' PHE . 4.2 m -59.57 14.18 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 74.200000000000003 111.104 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.682 ' H ' ' C ' ' A' ' 7' ' ' VAL . . . -92.48 35.15 4.15 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.726 -0.749 . . . . 70.319999999999993 112.51 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-O 120.796 0.332 . . . . 74.109999999999999 110.89 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.809 0.338 . . . . 74.420000000000002 110.931 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -122.21 -93.9 0.51 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.169 -0.468 . . . . 73.420000000000002 110.907 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.1 15.87 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.488 . . . . 71.340000000000003 110.85 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.553 ' O ' HG22 ' A' ' 7' ' ' VAL . 8.6 mtp180 -121.62 1.79 10.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 73.310000000000002 110.833 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.4 ptt180 -41.71 -34.55 0.63 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 64.540000000000006 110.883 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.921 ' O ' ' N ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -58.02 -47.09 84.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 75.319999999999993 110.855 -179.943 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.831 ' N ' ' CD1' ' A' ' 6' ' ' PHE . 0.6 OUTLIER 11.54 42.99 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.484 . . . . 71.430000000000007 111.157 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.921 ' N ' ' O ' ' A' ' 6' ' ' PHE . 4.1 m -59.54 14.17 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 44.140000000000001 111.114 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.668 ' H ' ' C ' ' A' ' 7' ' ' VAL . . . -92.53 35.19 4.14 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.715 -0.755 . . . . 74.310000000000002 112.51 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.291 0 CA-C-O 120.787 0.327 . . . . 62.030000000000001 110.883 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.45 HD22 ' NH2' ' A' ' 5' ' ' ARG . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.823 0.344 . . . . 64.200000000000003 110.897 . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -122.19 -94.24 0.5 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.466 . . . . 73.040000000000006 110.924 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.0 15.41 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.103 -0.498 . . . . 71.400000000000006 110.85 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.558 ' O ' HG22 ' A' ' 7' ' ' VAL . 7.0 mtp180 -121.46 3.01 10.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 71.219999999999999 110.902 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.45 ' NH2' HD22 ' A' ' 1' ' ' LEU . 2.1 ptm180 -41.7 -34.59 0.63 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 74.319999999999993 110.862 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.921 ' O ' ' N ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -57.97 -47.12 83.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 55.549999999999997 110.877 -179.928 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.82 ' N ' ' CD1' ' A' ' 6' ' ' PHE . 0.6 OUTLIER 11.58 42.95 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 63.539999999999999 111.148 179.927 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.921 ' N ' ' O ' ' A' ' 6' ' ' PHE . 4.1 m -59.55 14.26 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 71.329999999999998 111.149 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.682 ' H ' ' C ' ' A' ' 7' ' ' VAL . . . -92.6 35.23 4.13 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.72 -0.752 . . . . 73.209999999999994 112.472 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-O 120.814 0.34 . . . . 75.120000000000005 110.879 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.809 HD21 ' HD3' ' A' ' 5' ' ' ARG . 1.1 tt . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.788 0.328 . . . . 74.150000000000006 110.929 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.544 ' N ' HD23 ' A' ' 1' ' ' LEU . 0.1 OUTLIER -122.84 -94.89 0.49 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 72.319999999999993 110.915 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -177.56 16.4 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.086 -0.506 . . . . 72.409999999999997 110.907 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.556 ' O ' HG22 ' A' ' 7' ' ' VAL . 7.5 mtp180 -121.63 2.93 10.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 75.519999999999996 110.899 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.809 ' HD3' HD21 ' A' ' 1' ' ' LEU . 6.9 ptt180 -41.6 -34.68 0.62 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 75.319999999999993 110.851 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.912 ' O ' ' N ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -57.96 -47.18 83.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 72.230000000000004 110.844 -179.894 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.839 ' N ' ' CD1' ' A' ' 6' ' ' PHE . 0.6 OUTLIER 11.59 43.02 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 71.109999999999999 111.097 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.912 ' N ' ' O ' ' A' ' 6' ' ' PHE . 4.1 m -59.69 14.53 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 52.439999999999998 111.121 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.679 ' H ' ' C ' ' A' ' 7' ' ' VAL . . . -102.43 40.04 2.56 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.751 -0.738 . . . . 74.030000000000001 112.479 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.328 0 CA-C-O 120.84 0.352 . . . . 63.43 110.894 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.666 HD21 ' HD2' ' A' ' 5' ' ' ARG . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.825 0.345 . . . . 74.430000000000007 110.919 . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.599 ' N ' HD23 ' A' ' 1' ' ' LEU . 0.1 OUTLIER -123.14 -94.91 0.48 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 73.519999999999996 110.954 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.58 16.42 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.072 -0.513 . . . . 63.210000000000001 110.866 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.555 ' O ' HG22 ' A' ' 7' ' ' VAL . 2.7 mtt-85 -121.41 2.73 10.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 73.299999999999997 110.885 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.666 ' HD2' HD21 ' A' ' 1' ' ' LEU . 0.2 OUTLIER -41.86 -34.51 0.67 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 72.329999999999998 110.84 -179.876 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.91 ' O ' ' N ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -57.96 -46.97 84.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 73.439999999999998 110.921 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.828 ' N ' ' CD1' ' A' ' 6' ' ' PHE . 0.6 OUTLIER 11.42 43.17 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.096 -0.502 . . . . 74.120000000000005 111.163 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.91 ' N ' ' O ' ' A' ' 6' ' ' PHE . 4.1 m -59.5 14.16 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 63.109999999999999 111.088 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.684 ' H ' ' C ' ' A' ' 7' ' ' VAL . . . -92.45 35.0 4.19 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.777 -0.725 . . . . 73.010000000000005 112.433 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-O 120.793 0.33 . . . . 61.409999999999997 110.875 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.833 HD21 ' HD3' ' A' ' 5' ' ' ARG . 1.2 tt . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.853 0.358 . . . . 75.310000000000002 110.898 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.554 ' N ' HD23 ' A' ' 1' ' ' LEU . 0.1 OUTLIER -123.08 -94.56 0.49 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 63.32 110.92 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -178.2 16.95 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 74.299999999999997 110.842 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.542 ' O ' HG22 ' A' ' 7' ' ' VAL . 0.0 OUTLIER -121.34 1.21 10.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 74.129999999999995 110.892 -179.937 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.833 ' HD3' HD21 ' A' ' 1' ' ' LEU . 8.7 ptt-85 -41.92 -34.37 0.67 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 74.510000000000005 110.843 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.922 ' O ' ' N ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -58.08 -47.08 84.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 74.540000000000006 110.924 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.837 ' N ' ' CD1' ' A' ' 6' ' ' PHE . 0.6 OUTLIER 11.56 43.05 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.485 . . . . 72.5 111.101 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.922 ' N ' ' O ' ' A' ' 6' ' ' PHE . 4.1 m -59.68 14.44 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 65.439999999999998 111.16 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.67 ' H ' ' C ' ' A' ' 7' ' ' VAL . . . -102.26 39.99 2.58 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.713 -0.756 . . . . 54.43 112.501 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-O 120.787 0.327 . . . . 75.219999999999999 110.842 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.655 HD21 ' HD2' ' A' ' 5' ' ' ARG . 1.1 tt . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.841 0.353 . . . . 74.400000000000006 110.868 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.546 ' N ' HD23 ' A' ' 1' ' ' LEU . 0.1 OUTLIER -122.98 -94.71 0.49 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 75.129999999999995 110.933 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -177.51 16.51 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.111 -0.495 . . . . 75.409999999999997 110.886 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.556 ' O ' HG22 ' A' ' 7' ' ' VAL . 2.1 mtp85 -121.7 2.08 10.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 64.319999999999993 110.879 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.655 ' HD2' HD21 ' A' ' 1' ' ' LEU . 0.2 OUTLIER -41.67 -34.65 0.63 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 75.439999999999998 110.851 -179.922 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.908 ' O ' ' N ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -57.92 -47.19 83.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 71.450000000000003 110.869 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.84 ' N ' ' CD1' ' A' ' 6' ' ' PHE . 0.6 OUTLIER 11.6 42.99 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 62.329999999999998 111.131 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.908 ' N ' ' O ' ' A' ' 6' ' ' PHE . 4.1 m -59.79 15.15 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 65.299999999999997 111.132 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.682 ' H ' ' C ' ' A' ' 7' ' ' VAL . . . -102.08 40.14 2.53 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.749 -0.739 . . . . 52.140000000000001 112.464 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-O 120.839 0.352 . . . . 74.109999999999999 110.842 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.704 HD21 ' HD2' ' A' ' 5' ' ' ARG . 1.3 tt . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.85 0.357 . . . . 70.010000000000005 110.927 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.559 ' N ' HD23 ' A' ' 1' ' ' LEU . 0.1 OUTLIER -123.22 -95.03 0.48 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 74.219999999999999 110.928 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 178.85 22.32 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.095 -0.502 . . . . 74.239999999999995 110.891 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.561 ' O ' HG22 ' A' ' 7' ' ' VAL . 6.6 mtt180 -122.77 -3.07 8.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 73.540000000000006 110.896 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.704 ' HD2' HD21 ' A' ' 1' ' ' LEU . 0.8 OUTLIER -41.96 -34.12 0.64 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 74.409999999999997 110.894 -179.915 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.91 ' O ' ' N ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -58.49 -47.03 85.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 62.350000000000001 110.882 -179.939 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.826 ' N ' ' CD1' ' A' ' 6' ' ' PHE . 0.6 OUTLIER 11.46 43.06 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 73.109999999999999 111.114 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.91 ' N ' ' O ' ' A' ' 6' ' ' PHE . 4.2 m -59.56 14.24 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 61.409999999999997 111.146 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.682 ' H ' ' C ' ' A' ' 7' ' ' VAL . . . -92.57 35.24 4.12 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.735 -0.745 . . . . 65.340000000000003 112.478 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-O 120.782 0.325 . . . . 75.140000000000001 110.856 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.547 HD13 ' HD2' ' A' ' 5' ' ' ARG . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.874 0.369 . . . . 72.510000000000005 110.894 . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -121.93 -97.33 0.46 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 74.200000000000003 110.945 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -176.35 28.47 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 61.420000000000002 110.853 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.584 ' O ' HG22 ' A' ' 7' ' ' VAL . 1.8 ptm180 -121.7 -7.82 9.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 71.5 110.87 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.547 ' HD2' HD13 ' A' ' 1' ' ' LEU . 0.4 OUTLIER -42.5 -32.63 0.57 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 73.319999999999993 110.865 -179.897 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.927 ' O ' ' N ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -61.13 -46.96 88.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 73.409999999999997 110.866 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.829 ' N ' ' CD1' ' A' ' 6' ' ' PHE . 0.7 OUTLIER 11.53 43.08 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 61.310000000000002 111.132 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.927 ' N ' ' O ' ' A' ' 6' ' ' PHE . 4.2 m -59.65 14.34 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 73.519999999999996 111.146 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.661 ' H ' ' C ' ' A' ' 7' ' ' VAL . . . -101.94 39.85 2.62 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.771 -0.728 . . . . 72.349999999999994 112.477 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.333 0 CA-C-O 120.815 0.34 . . . . 41.530000000000001 110.843 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.807 0.337 . . . . 74.530000000000001 110.961 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -122.02 -94.15 0.5 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 72.109999999999999 110.92 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 177.18 22.82 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.098 -0.501 . . . . 70.109999999999999 110.894 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.562 ' O ' HG22 ' A' ' 7' ' ' VAL . 7.5 mtp180 -122.71 -4.37 8.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 73.129999999999995 110.927 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.7 ptt85 -42.15 -33.57 0.62 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 75.319999999999993 110.918 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.916 ' O ' ' N ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -59.34 -47.02 87.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 73.099999999999994 110.875 -179.933 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.839 ' N ' ' CD1' ' A' ' 6' ' ' PHE . 0.6 OUTLIER 11.47 43.1 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 75.439999999999998 111.12 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.916 ' N ' ' O ' ' A' ' 6' ' ' PHE . 4.2 m -59.59 14.2 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 73.019999999999996 111.142 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.652 ' H ' ' C ' ' A' ' 7' ' ' VAL . . . -92.55 35.21 4.13 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.731 -0.747 . . . . 72.430000000000007 112.497 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.274 0 CA-C-O 120.849 0.357 . . . . 74.109999999999999 110.89 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.656 HD21 ' HD2' ' A' ' 5' ' ' ARG . 1.1 tt . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.831 0.348 . . . . 72.430000000000007 110.928 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.554 ' N ' HD23 ' A' ' 1' ' ' LEU . 0.1 OUTLIER -122.83 -94.73 0.49 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 73.140000000000001 110.907 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -177.41 14.2 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 73.420000000000002 110.875 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.559 ' O ' HG22 ' A' ' 7' ' ' VAL . 12.1 mmt180 -118.22 1.13 11.87 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.184 -0.462 . . . . 74.040000000000006 110.841 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.656 ' HD2' HD21 ' A' ' 1' ' ' LEU . 0.2 OUTLIER -41.64 -34.69 0.63 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 64.219999999999999 110.849 -179.869 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.931 ' O ' ' N ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -57.89 -47.15 83.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 74.430000000000007 110.913 -179.938 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.835 ' N ' ' CD1' ' A' ' 6' ' ' PHE . 0.6 OUTLIER 11.54 43.04 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.122 -0.49 . . . . 65.239999999999995 111.1 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.931 ' N ' ' O ' ' A' ' 6' ' ' PHE . 4.2 m -59.57 14.15 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 73.450000000000003 111.132 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.679 ' H ' ' C ' ' A' ' 7' ' ' VAL . . . -92.73 35.33 4.11 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.702 -0.761 . . . . 53.539999999999999 112.5 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 11.8 mmm180 . . . . . 0 C--N 1.329 -0.301 0 CA-C-O 120.784 0.326 . . . . 74.239999999999995 110.837 -179.868 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.836 HD21 ' HD3' ' A' ' 5' ' ' ARG . 1.3 tt . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.79 0.329 . . . . 73.019999999999996 110.957 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.565 ' N ' HD23 ' A' ' 1' ' ' LEU . 0.1 OUTLIER -122.92 -95.93 0.47 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 53.530000000000001 110.919 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.09 19.3 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.074 -0.512 . . . . 74.209999999999994 110.883 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.559 ' O ' HG22 ' A' ' 7' ' ' VAL . 7.0 mmt-85 -120.51 -0.61 10.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 74.150000000000006 110.895 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.836 ' HD3' HD21 ' A' ' 1' ' ' LEU . 7.1 ptt180 -41.72 -34.47 0.62 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 62.020000000000003 110.835 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.914 ' O ' ' N ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -58.04 -47.15 83.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 73.540000000000006 110.877 -179.92 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.82 ' N ' ' CD1' ' A' ' 6' ' ' PHE . 0.6 OUTLIER 11.55 43.02 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.125 -0.489 . . . . 65.239999999999995 111.135 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.914 ' N ' ' O ' ' A' ' 6' ' ' PHE . 4.2 m -59.52 14.23 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 72.120000000000005 111.105 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.684 ' H ' ' C ' ' A' ' 7' ' ' VAL . . . -92.57 35.19 4.14 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.745 -0.741 . . . . 60.350000000000001 112.473 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.282 0 CA-C-O 120.822 0.344 . . . . 75.129999999999995 110.905 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.839 HD21 ' HD3' ' A' ' 5' ' ' ARG . 1.3 tt . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.829 0.347 . . . . 65.209999999999994 110.92 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.564 ' N ' HD23 ' A' ' 1' ' ' LEU . 0.1 OUTLIER -122.91 -95.95 0.47 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 72.219999999999999 110.893 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.12 19.43 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 52.130000000000003 110.837 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.56 ' O ' HG22 ' A' ' 7' ' ' VAL . 7.0 mmt-85 -120.56 -0.65 10.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 62.149999999999999 110.853 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.839 ' HD3' HD21 ' A' ' 1' ' ' LEU . 7.1 ptt180 -41.73 -34.43 0.62 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 54.420000000000002 110.889 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.92 ' O ' ' N ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -58.06 -47.13 84.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 65.439999999999998 110.844 -179.909 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.821 ' N ' ' CD1' ' A' ' 6' ' ' PHE . 0.6 OUTLIER 11.49 43.09 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 72.519999999999996 111.134 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.92 ' N ' ' O ' ' A' ' 6' ' ' PHE . 4.2 m -59.66 14.27 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.471 . . . . 64.430000000000007 111.109 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.682 ' H ' ' C ' ' A' ' 7' ' ' VAL . . . -92.56 35.14 4.16 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.755 -0.736 . . . . 13.31 112.488 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.271 0 CA-C-O 120.802 0.334 . . . . 72.439999999999998 110.88 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.563 HD23 ' N ' ' A' ' 2' ' ' TYR . 1.4 tt . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.816 0.341 . . . . 54.32 110.936 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.563 ' N ' HD23 ' A' ' 1' ' ' LEU . 0.1 OUTLIER -122.98 -98.59 0.43 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 70.420000000000002 110.932 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -160.24 5.53 0.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 74.319999999999993 110.861 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.54 ' O ' HG13 ' A' ' 7' ' ' VAL . 1.9 mtp85 -120.56 19.32 11.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 70.540000000000006 110.9 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.445 ' HE ' HD11 ' A' ' 1' ' ' LEU . 2.7 ptm180 -41.02 -36.06 0.62 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 73.200000000000003 110.863 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.928 ' O ' ' N ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -56.8 -46.75 81.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 73.120000000000005 110.881 -179.893 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.836 ' N ' ' CD1' ' A' ' 6' ' ' PHE . 0.7 OUTLIER 11.66 42.9 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 62.200000000000003 111.127 179.938 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.928 ' N ' ' O ' ' A' ' 6' ' ' PHE . 4.1 m -59.57 14.05 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.478 . . . . 73.420000000000002 111.094 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.674 ' H ' ' C ' ' A' ' 7' ' ' VAL . . . -101.09 39.53 2.71 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.733 -0.746 . . . . 65.099999999999994 112.504 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-O 120.857 0.36 . . . . 73.329999999999998 110.88 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.516 HD13 ' HD2' ' A' ' 5' ' ' ARG . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.787 0.327 . . . . 54.310000000000002 110.973 . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.456 ' CD1' ' N ' ' A' ' 2' ' ' TYR . 0.1 OUTLIER -122.76 -98.83 0.43 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.262 -0.426 . . . . 72.329999999999998 110.984 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -161.74 7.12 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 70.239999999999995 110.876 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.577 ' O ' HG22 ' A' ' 7' ' ' VAL . 42.5 mmm-85 -115.39 6.81 14.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 75.519999999999996 110.826 -179.83 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.516 ' HD2' HD13 ' A' ' 1' ' ' LEU . 8.1 ptt180 -40.94 -35.56 0.54 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 64.409999999999997 110.866 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.916 ' O ' ' N ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -57.4 -47.6 81.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 65.420000000000002 110.857 -179.933 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.84 ' N ' ' CD1' ' A' ' 6' ' ' PHE . 0.6 OUTLIER 11.51 43.01 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 53.439999999999998 111.144 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.916 ' N ' ' O ' ' A' ' 6' ' ' PHE . 4.1 m -59.85 15.13 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.168 -0.469 . . . . 75.329999999999998 111.076 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.683 ' H ' ' C ' ' A' ' 7' ' ' VAL . . . -101.88 40.03 2.56 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.804 -0.712 . . . . 42.32 112.488 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-O 120.838 0.351 . . . . 72.299999999999997 110.882 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.465 HD12 ' H ' ' A' ' 2' ' ' TYR . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.894 0.378 . . . . 72.340000000000003 110.919 . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.47 ' O ' ' HB3' ' A' ' 3' ' ' ARG . 0.1 OUTLIER -124.99 -87.9 0.61 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.485 . . . . 74.439999999999998 110.942 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.47 ' HB3' ' O ' ' A' ' 2' ' ' TYR . 0.1 OUTLIER 177.11 11.41 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.489 . . . . 64.450000000000003 110.844 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.589 ' O ' HG22 ' A' ' 7' ' ' VAL . 12.1 mmt85 -114.83 -7.33 12.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 71.010000000000005 110.89 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -42.54 -32.62 0.58 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 74.209999999999994 110.865 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.914 ' O ' ' N ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -61.09 -46.92 88.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 73.310000000000002 110.904 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.826 ' N ' ' CD1' ' A' ' 6' ' ' PHE . 0.7 OUTLIER 11.54 43.02 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 73.310000000000002 111.137 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.914 ' N ' ' O ' ' A' ' 6' ' ' PHE . 4.2 m -59.47 14.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 64.310000000000002 111.122 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.683 ' H ' ' C ' ' A' ' 7' ' ' VAL . . . -92.51 35.28 4.1 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.725 -0.75 . . . . 64.340000000000003 112.479 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.327 0 CA-C-O 120.815 0.34 . . . . 71.329999999999998 110.838 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.635 HD13 ' HG2' ' A' ' 5' ' ' ARG . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.882 0.372 . . . . 54.43 110.87 . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.539 ' N ' HD12 ' A' ' 1' ' ' LEU . 0.0 OUTLIER -121.08 -84.07 0.66 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 74.549999999999997 110.891 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -177.05 24.0 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 71.329999999999998 110.863 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.652 ' C ' HG21 ' A' ' 8' ' ' VAL . 1.8 mtp85 -121.57 41.75 3.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 53.240000000000002 110.908 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.635 ' HG2' HD13 ' A' ' 1' ' ' LEU . 0.0 OUTLIER -121.7 36.5 4.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 73.530000000000001 110.822 -179.898 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 1.005 ' CD2' HG22 ' A' ' 7' ' ' VAL . 0.5 OUTLIER -120.86 -131.46 0.29 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 74.129999999999995 110.868 -179.92 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 1.005 HG22 ' CD2' ' A' ' 6' ' ' PHE . 27.8 m -64.06 -3.77 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.122 -0.49 . . . . 72.340000000000003 111.107 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.776 HG13 ' CE1' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -58.56 15.98 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 72.439999999999998 111.146 179.88 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.69 ' H ' ' C ' ' A' ' 7' ' ' VAL . . . -93.06 34.91 4.31 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.783 -0.722 . . . . 70.409999999999997 112.464 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 16.2 mmm-85 . . . . . 0 C--N 1.328 -0.331 0 CA-C-O 120.753 0.311 . . . . 71.219999999999999 110.899 -179.884 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . 0.824 HD21 ' HD3' ' A' ' 5' ' ' ARG . 1.1 tt . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.831 0.348 . . . . 75.31 110.897 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . 0.557 ' N ' HD23 ' A' ' 1' ' ' LEU . 0.1 OUTLIER -123.01 -94.33 0.5 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 72.13 110.932 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.15 16.11 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.111 -0.495 . . . . 74.03 110.878 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.554 ' O ' HG22 ' A' ' 7' ' ' VAL . 4.3 mtt-85 -121.12 1.76 10.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 74.23 110.892 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.824 ' HD3' HD21 ' A' ' 1' ' ' LEU . 4.3 ptt85 -41.85 -34.41 0.66 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 75.43 110.862 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.921 ' O ' ' N ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -58.13 -47.02 84.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 74.1 110.843 -179.86 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.828 ' N ' ' CD1' ' A' ' 6' ' ' PHE . 0.6 OUTLIER 11.54 43.08 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 74.54 111.098 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.921 ' N ' ' O ' ' A' ' 6' ' ' PHE . 4.2 m -59.62 14.22 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 74.01 111.135 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.681 ' H ' ' C ' ' A' ' 7' ' ' VAL . . . -92.55 35.13 4.16 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.764 -0.732 . . . . 71.15 112.499 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-O 120.784 0.326 . . . . 73.14 110.852 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . 0.832 HD21 ' HD3' ' A' ' 5' ' ' ARG . 1.2 tt . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.778 0.323 . . . . 64.32 110.946 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . 0.552 ' N ' HD23 ' A' ' 1' ' ' LEU . 0.1 OUTLIER -123.05 -94.46 0.49 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 74.34 110.947 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.22 17.05 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 75.54 110.889 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.555 ' O ' HG22 ' A' ' 7' ' ' VAL . 7.0 mtp180 -121.55 1.3 10.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 75.44 110.926 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.832 ' HD3' HD21 ' A' ' 1' ' ' LEU . 4.6 ptt85 -41.93 -34.39 0.67 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 64.33 110.805 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.918 ' O ' ' N ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -58.1 -47.06 84.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 71.14 110.89 -179.921 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.838 ' N ' ' CD1' ' A' ' 6' ' ' PHE . 0.6 OUTLIER 11.49 43.07 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 51.34 111.158 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.918 ' N ' ' O ' ' A' ' 6' ' ' PHE . 4.1 m -59.68 14.49 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 73.45 111.102 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.661 ' H ' ' C ' ' A' ' 7' ' ' VAL . . . -102.32 39.98 2.58 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.758 -0.734 . . . . 55.3 112.457 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-O 120.812 0.339 . . . . 74.03 110.859 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . 0.826 HD21 ' HD3' ' A' ' 5' ' ' ARG . 1.1 tt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.83 0.348 . . . . 71.0 110.938 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . 0.55 ' N ' HD23 ' A' ' 1' ' ' LEU . 0.1 OUTLIER -123.03 -94.31 0.5 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 75.51 110.898 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.08 16.1 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 73.21 110.895 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.545 ' O ' HG22 ' A' ' 7' ' ' VAL . 6.9 mtp180 -121.24 1.81 10.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 71.23 110.888 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.826 ' HD3' HD21 ' A' ' 1' ' ' LEU . 8.4 ptt-85 -41.8 -34.44 0.64 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 74.44 110.869 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.916 ' O ' ' N ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -58.06 -47.08 84.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 73.1 110.86 -179.922 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.837 ' N ' ' CD1' ' A' ' 6' ' ' PHE . 0.6 OUTLIER 11.54 43.08 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.463 . . . . 52.01 111.137 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.916 ' N ' ' O ' ' A' ' 6' ' ' PHE . 4.1 m -59.69 14.48 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 74.11 111.103 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.65 ' H ' ' C ' ' A' ' 7' ' ' VAL . . . -102.36 40.08 2.55 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.701 -0.762 . . . . 71.51 112.474 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-O 120.803 0.335 . . . . 65.13 110.864 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . 0.639 HD21 ' HD2' ' A' ' 5' ' ' ARG . 1.2 tt . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.8 0.334 . . . . 74.22 110.919 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . 0.56 ' N ' HD23 ' A' ' 1' ' ' LEU . 0.1 OUTLIER -123.01 -94.83 0.49 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 74.13 110.9 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.45 ' NE ' ' HE ' ' A' ' 4' ' ' ARG . 0.0 OUTLIER -177.54 16.97 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.484 . . . . 73.0 110.905 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.557 ' O ' HG22 ' A' ' 7' ' ' VAL . 3.2 mtt-85 -121.79 1.64 9.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 74.32 110.842 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.639 ' HD2' HD21 ' A' ' 1' ' ' LEU . 0.2 OUTLIER -41.58 -34.68 0.61 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 60.21 110.869 -179.937 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.911 ' O ' ' N ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -57.96 -47.16 83.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 71.13 110.857 -179.887 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.828 ' N ' ' CD1' ' A' ' 6' ' ' PHE . 0.6 OUTLIER 11.55 43.02 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 73.4 111.143 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.911 ' N ' ' O ' ' A' ' 6' ' ' PHE . 4.2 m -59.57 14.18 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 74.2 111.104 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.682 ' H ' ' C ' ' A' ' 7' ' ' VAL . . . -92.48 35.15 4.15 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.726 -0.749 . . . . 70.32 112.51 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-O 120.796 0.332 . . . . 74.11 110.89 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.809 0.338 . . . . 74.42 110.931 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -122.21 -93.9 0.51 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.169 -0.468 . . . . 73.42 110.907 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.1 15.87 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.488 . . . . 71.34 110.85 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.553 ' O ' HG22 ' A' ' 7' ' ' VAL . 8.6 mtp180 -121.62 1.79 10.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 73.31 110.833 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.4 ptt180 -41.71 -34.55 0.63 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 64.54 110.883 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.921 ' O ' ' N ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -58.02 -47.09 84.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 75.32 110.855 -179.943 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.831 ' N ' ' CD1' ' A' ' 6' ' ' PHE . 0.6 OUTLIER 11.54 42.99 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.484 . . . . 71.43 111.157 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.921 ' N ' ' O ' ' A' ' 6' ' ' PHE . 4.1 m -59.54 14.17 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 44.14 111.114 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.668 ' H ' ' C ' ' A' ' 7' ' ' VAL . . . -92.53 35.19 4.14 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.715 -0.755 . . . . 74.31 112.51 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.291 0 CA-C-O 120.787 0.327 . . . . 62.03 110.883 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . 0.45 HD22 ' NH2' ' A' ' 5' ' ' ARG . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.823 0.344 . . . . 64.2 110.897 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -122.19 -94.24 0.5 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.466 . . . . 73.04 110.924 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.0 15.41 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.103 -0.498 . . . . 71.4 110.85 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.558 ' O ' HG22 ' A' ' 7' ' ' VAL . 7.0 mtp180 -121.46 3.01 10.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 71.22 110.902 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.45 ' NH2' HD22 ' A' ' 1' ' ' LEU . 2.1 ptm180 -41.7 -34.59 0.63 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 74.32 110.862 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.921 ' O ' ' N ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -57.97 -47.12 83.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 55.55 110.877 -179.928 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.82 ' N ' ' CD1' ' A' ' 6' ' ' PHE . 0.6 OUTLIER 11.58 42.95 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 63.54 111.148 179.927 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.921 ' N ' ' O ' ' A' ' 6' ' ' PHE . 4.1 m -59.55 14.26 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 71.33 111.149 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.682 ' H ' ' C ' ' A' ' 7' ' ' VAL . . . -92.6 35.23 4.13 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.72 -0.752 . . . . 73.21 112.472 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-O 120.814 0.34 . . . . 75.12 110.879 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . 0.809 HD21 ' HD3' ' A' ' 5' ' ' ARG . 1.1 tt . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.788 0.328 . . . . 74.15 110.929 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . 0.544 ' N ' HD23 ' A' ' 1' ' ' LEU . 0.1 OUTLIER -122.84 -94.89 0.49 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 72.32 110.915 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -177.56 16.4 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.086 -0.506 . . . . 72.41 110.907 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.556 ' O ' HG22 ' A' ' 7' ' ' VAL . 7.5 mtp180 -121.63 2.93 10.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 75.52 110.899 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.809 ' HD3' HD21 ' A' ' 1' ' ' LEU . 6.9 ptt180 -41.6 -34.68 0.62 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 75.32 110.851 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.912 ' O ' ' N ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -57.96 -47.18 83.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 72.23 110.844 -179.894 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.839 ' N ' ' CD1' ' A' ' 6' ' ' PHE . 0.6 OUTLIER 11.59 43.02 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 71.11 111.097 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.912 ' N ' ' O ' ' A' ' 6' ' ' PHE . 4.1 m -59.69 14.53 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 52.44 111.121 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.679 ' H ' ' C ' ' A' ' 7' ' ' VAL . . . -102.43 40.04 2.56 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.751 -0.738 . . . . 74.03 112.479 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.328 0 CA-C-O 120.84 0.352 . . . . 63.43 110.894 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . 0.666 HD21 ' HD2' ' A' ' 5' ' ' ARG . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.825 0.345 . . . . 74.43 110.919 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . 0.599 ' N ' HD23 ' A' ' 1' ' ' LEU . 0.1 OUTLIER -123.14 -94.91 0.48 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 73.52 110.954 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.58 16.42 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.072 -0.513 . . . . 63.21 110.866 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.555 ' O ' HG22 ' A' ' 7' ' ' VAL . 2.7 mtt-85 -121.41 2.73 10.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 73.3 110.885 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.666 ' HD2' HD21 ' A' ' 1' ' ' LEU . 0.2 OUTLIER -41.86 -34.51 0.67 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 72.33 110.84 -179.876 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.91 ' O ' ' N ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -57.96 -46.97 84.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 73.44 110.921 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.828 ' N ' ' CD1' ' A' ' 6' ' ' PHE . 0.6 OUTLIER 11.42 43.17 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.096 -0.502 . . . . 74.12 111.163 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.91 ' N ' ' O ' ' A' ' 6' ' ' PHE . 4.1 m -59.5 14.16 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 63.11 111.088 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.684 ' H ' ' C ' ' A' ' 7' ' ' VAL . . . -92.45 35.0 4.19 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.777 -0.725 . . . . 73.01 112.433 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-O 120.793 0.33 . . . . 61.41 110.875 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . 0.833 HD21 ' HD3' ' A' ' 5' ' ' ARG . 1.2 tt . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.853 0.358 . . . . 75.31 110.898 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . 0.554 ' N ' HD23 ' A' ' 1' ' ' LEU . 0.1 OUTLIER -123.08 -94.56 0.49 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 63.32 110.92 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -178.2 16.95 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 74.3 110.842 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.542 ' O ' HG22 ' A' ' 7' ' ' VAL . 0.0 OUTLIER -121.34 1.21 10.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 74.13 110.892 -179.937 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.833 ' HD3' HD21 ' A' ' 1' ' ' LEU . 8.7 ptt-85 -41.92 -34.37 0.67 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 74.51 110.843 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.922 ' O ' ' N ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -58.08 -47.08 84.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 74.54 110.924 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.837 ' N ' ' CD1' ' A' ' 6' ' ' PHE . 0.6 OUTLIER 11.56 43.05 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.485 . . . . 72.5 111.101 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.922 ' N ' ' O ' ' A' ' 6' ' ' PHE . 4.1 m -59.68 14.44 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 65.44 111.16 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.67 ' H ' ' C ' ' A' ' 7' ' ' VAL . . . -102.26 39.99 2.58 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.713 -0.756 . . . . 54.43 112.501 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-O 120.787 0.327 . . . . 75.22 110.842 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . 0.655 HD21 ' HD2' ' A' ' 5' ' ' ARG . 1.1 tt . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.841 0.353 . . . . 74.4 110.868 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . 0.546 ' N ' HD23 ' A' ' 1' ' ' LEU . 0.1 OUTLIER -122.98 -94.71 0.49 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 75.13 110.933 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -177.51 16.51 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.111 -0.495 . . . . 75.41 110.886 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.556 ' O ' HG22 ' A' ' 7' ' ' VAL . 2.1 mtp85 -121.7 2.08 10.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 64.32 110.879 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.655 ' HD2' HD21 ' A' ' 1' ' ' LEU . 0.2 OUTLIER -41.67 -34.65 0.63 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 75.44 110.851 -179.922 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.908 ' O ' ' N ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -57.92 -47.19 83.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 71.45 110.869 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.84 ' N ' ' CD1' ' A' ' 6' ' ' PHE . 0.6 OUTLIER 11.6 42.99 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 62.33 111.131 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.908 ' N ' ' O ' ' A' ' 6' ' ' PHE . 4.1 m -59.79 15.15 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 65.3 111.132 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.682 ' H ' ' C ' ' A' ' 7' ' ' VAL . . . -102.08 40.14 2.53 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.749 -0.739 . . . . 52.14 112.464 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-O 120.839 0.352 . . . . 74.11 110.842 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . 0.704 HD21 ' HD2' ' A' ' 5' ' ' ARG . 1.3 tt . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.85 0.357 . . . . 70.01 110.927 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . 0.559 ' N ' HD23 ' A' ' 1' ' ' LEU . 0.1 OUTLIER -123.22 -95.03 0.48 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 74.22 110.928 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 178.85 22.32 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.095 -0.502 . . . . 74.24 110.891 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.561 ' O ' HG22 ' A' ' 7' ' ' VAL . 6.6 mtt180 -122.77 -3.07 8.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 73.54 110.896 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.704 ' HD2' HD21 ' A' ' 1' ' ' LEU . 0.8 OUTLIER -41.96 -34.12 0.64 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 74.41 110.894 -179.915 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.91 ' O ' ' N ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -58.49 -47.03 85.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 62.35 110.882 -179.939 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.826 ' N ' ' CD1' ' A' ' 6' ' ' PHE . 0.6 OUTLIER 11.46 43.06 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 73.11 111.114 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.91 ' N ' ' O ' ' A' ' 6' ' ' PHE . 4.2 m -59.56 14.24 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 61.41 111.146 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.682 ' H ' ' C ' ' A' ' 7' ' ' VAL . . . -92.57 35.24 4.12 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.735 -0.745 . . . . 65.34 112.478 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-O 120.782 0.325 . . . . 75.14 110.856 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . 0.547 HD13 ' HD2' ' A' ' 5' ' ' ARG . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.874 0.369 . . . . 72.51 110.894 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -121.93 -97.33 0.46 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 74.2 110.945 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -176.35 28.47 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 61.42 110.853 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.584 ' O ' HG22 ' A' ' 7' ' ' VAL . 1.8 ptm180 -121.7 -7.82 9.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 71.5 110.87 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.547 ' HD2' HD13 ' A' ' 1' ' ' LEU . 0.4 OUTLIER -42.5 -32.63 0.57 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 73.32 110.865 -179.897 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.927 ' O ' ' N ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -61.13 -46.96 88.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 73.41 110.866 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.829 ' N ' ' CD1' ' A' ' 6' ' ' PHE . 0.7 OUTLIER 11.53 43.08 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 61.31 111.132 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.927 ' N ' ' O ' ' A' ' 6' ' ' PHE . 4.2 m -59.65 14.34 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 73.52 111.146 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.661 ' H ' ' C ' ' A' ' 7' ' ' VAL . . . -101.94 39.85 2.62 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.771 -0.728 . . . . 72.35 112.477 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.333 0 CA-C-O 120.815 0.34 . . . . 41.53 110.843 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.807 0.337 . . . . 74.53 110.961 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -122.02 -94.15 0.5 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 72.11 110.92 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 177.18 22.82 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.098 -0.501 . . . . 70.11 110.894 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.562 ' O ' HG22 ' A' ' 7' ' ' VAL . 7.5 mtp180 -122.71 -4.37 8.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 73.13 110.927 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.7 ptt85 -42.15 -33.57 0.62 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 75.32 110.918 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.916 ' O ' ' N ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -59.34 -47.02 87.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 73.1 110.875 -179.933 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.839 ' N ' ' CD1' ' A' ' 6' ' ' PHE . 0.6 OUTLIER 11.47 43.1 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 75.44 111.12 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.916 ' N ' ' O ' ' A' ' 6' ' ' PHE . 4.2 m -59.59 14.2 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 73.02 111.142 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.652 ' H ' ' C ' ' A' ' 7' ' ' VAL . . . -92.55 35.21 4.13 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.731 -0.747 . . . . 72.43 112.497 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.274 0 CA-C-O 120.849 0.357 . . . . 74.11 110.89 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . 0.656 HD21 ' HD2' ' A' ' 5' ' ' ARG . 1.1 tt . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.831 0.348 . . . . 72.43 110.928 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . 0.554 ' N ' HD23 ' A' ' 1' ' ' LEU . 0.1 OUTLIER -122.83 -94.73 0.49 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 73.14 110.907 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -177.41 14.2 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 73.42 110.875 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.559 ' O ' HG22 ' A' ' 7' ' ' VAL . 12.1 mmt180 -118.22 1.13 11.87 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.184 -0.462 . . . . 74.04 110.841 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.656 ' HD2' HD21 ' A' ' 1' ' ' LEU . 0.2 OUTLIER -41.64 -34.69 0.63 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 64.22 110.849 -179.869 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.931 ' O ' ' N ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -57.89 -47.15 83.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 74.43 110.913 -179.938 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.835 ' N ' ' CD1' ' A' ' 6' ' ' PHE . 0.6 OUTLIER 11.54 43.04 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.122 -0.49 . . . . 65.24 111.1 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.931 ' N ' ' O ' ' A' ' 6' ' ' PHE . 4.2 m -59.57 14.15 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 73.45 111.132 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.679 ' H ' ' C ' ' A' ' 7' ' ' VAL . . . -92.73 35.33 4.11 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.702 -0.761 . . . . 53.54 112.5 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 11.8 mmm180 . . . . . 0 C--N 1.329 -0.301 0 CA-C-O 120.784 0.326 . . . . 74.24 110.837 -179.868 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . 0.836 HD21 ' HD3' ' A' ' 5' ' ' ARG . 1.3 tt . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.79 0.329 . . . . 73.02 110.957 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . 0.565 ' N ' HD23 ' A' ' 1' ' ' LEU . 0.1 OUTLIER -122.92 -95.93 0.47 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 53.53 110.919 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.09 19.3 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.074 -0.512 . . . . 74.21 110.883 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.559 ' O ' HG22 ' A' ' 7' ' ' VAL . 7.0 mmt-85 -120.51 -0.61 10.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 74.15 110.895 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.836 ' HD3' HD21 ' A' ' 1' ' ' LEU . 7.1 ptt180 -41.72 -34.47 0.62 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 62.02 110.835 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.914 ' O ' ' N ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -58.04 -47.15 83.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 73.54 110.877 -179.92 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.82 ' N ' ' CD1' ' A' ' 6' ' ' PHE . 0.6 OUTLIER 11.55 43.02 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.125 -0.489 . . . . 65.24 111.135 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.914 ' N ' ' O ' ' A' ' 6' ' ' PHE . 4.2 m -59.52 14.23 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 72.12 111.105 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.684 ' H ' ' C ' ' A' ' 7' ' ' VAL . . . -92.57 35.19 4.14 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.745 -0.741 . . . . 60.35 112.473 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.282 0 CA-C-O 120.822 0.344 . . . . 75.13 110.905 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . 0.839 HD21 ' HD3' ' A' ' 5' ' ' ARG . 1.3 tt . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.829 0.347 . . . . 65.21 110.92 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . 0.564 ' N ' HD23 ' A' ' 1' ' ' LEU . 0.1 OUTLIER -122.91 -95.95 0.47 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 72.22 110.893 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.12 19.43 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 52.13 110.837 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.56 ' O ' HG22 ' A' ' 7' ' ' VAL . 7.0 mmt-85 -120.56 -0.65 10.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 62.15 110.853 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.839 ' HD3' HD21 ' A' ' 1' ' ' LEU . 7.1 ptt180 -41.73 -34.43 0.62 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 54.42 110.889 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.92 ' O ' ' N ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -58.06 -47.13 84.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 65.44 110.844 -179.909 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.821 ' N ' ' CD1' ' A' ' 6' ' ' PHE . 0.6 OUTLIER 11.49 43.09 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 72.52 111.134 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.92 ' N ' ' O ' ' A' ' 6' ' ' PHE . 4.2 m -59.66 14.27 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.471 . . . . 64.43 111.109 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.682 ' H ' ' C ' ' A' ' 7' ' ' VAL . . . -92.56 35.14 4.16 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.755 -0.736 . . . . 13.31 112.488 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.271 0 CA-C-O 120.802 0.334 . . . . 72.44 110.88 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . 0.563 HD23 ' N ' ' A' ' 2' ' ' TYR . 1.4 tt . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.816 0.341 . . . . 54.32 110.936 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . 0.563 ' N ' HD23 ' A' ' 1' ' ' LEU . 0.1 OUTLIER -122.98 -98.59 0.43 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 70.42 110.932 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -160.24 5.53 0.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 74.32 110.861 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.54 ' O ' HG13 ' A' ' 7' ' ' VAL . 1.9 mtp85 -120.56 19.32 11.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 70.54 110.9 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.445 ' HE ' HD11 ' A' ' 1' ' ' LEU . 2.7 ptm180 -41.02 -36.06 0.62 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 73.2 110.863 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.928 ' O ' ' N ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -56.8 -46.75 81.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 73.12 110.881 -179.893 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.836 ' N ' ' CD1' ' A' ' 6' ' ' PHE . 0.7 OUTLIER 11.66 42.9 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 62.2 111.127 179.938 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.928 ' N ' ' O ' ' A' ' 6' ' ' PHE . 4.1 m -59.57 14.05 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.478 . . . . 73.42 111.094 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.674 ' H ' ' C ' ' A' ' 7' ' ' VAL . . . -101.09 39.53 2.71 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.733 -0.746 . . . . 65.1 112.504 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-O 120.857 0.36 . . . . 73.33 110.88 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . 0.516 HD13 ' HD2' ' A' ' 5' ' ' ARG . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.787 0.327 . . . . 54.31 110.973 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . 0.456 ' CD1' ' N ' ' A' ' 2' ' ' TYR . 0.1 OUTLIER -122.76 -98.83 0.43 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.262 -0.426 . . . . 72.33 110.984 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -161.74 7.12 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 70.24 110.876 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.577 ' O ' HG22 ' A' ' 7' ' ' VAL . 42.5 mmm-85 -115.39 6.81 14.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 75.52 110.826 -179.83 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.516 ' HD2' HD13 ' A' ' 1' ' ' LEU . 8.1 ptt180 -40.94 -35.56 0.54 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 64.41 110.866 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.916 ' O ' ' N ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -57.4 -47.6 81.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 65.42 110.857 -179.933 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.84 ' N ' ' CD1' ' A' ' 6' ' ' PHE . 0.6 OUTLIER 11.51 43.01 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 53.44 111.144 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.916 ' N ' ' O ' ' A' ' 6' ' ' PHE . 4.1 m -59.85 15.13 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.168 -0.469 . . . . 75.33 111.076 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.683 ' H ' ' C ' ' A' ' 7' ' ' VAL . . . -101.88 40.03 2.56 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.804 -0.712 . . . . 42.32 112.488 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-O 120.838 0.351 . . . . 72.3 110.882 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . 0.465 HD12 ' H ' ' A' ' 2' ' ' TYR . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.894 0.378 . . . . 72.34 110.919 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . 0.47 ' O ' ' HB3' ' A' ' 3' ' ' ARG . 0.1 OUTLIER -124.99 -87.9 0.61 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.485 . . . . 74.44 110.942 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.47 ' HB3' ' O ' ' A' ' 2' ' ' TYR . 0.1 OUTLIER 177.11 11.41 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.489 . . . . 64.45 110.844 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.589 ' O ' HG22 ' A' ' 7' ' ' VAL . 12.1 mmt85 -114.83 -7.33 12.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 71.01 110.89 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -42.54 -32.62 0.58 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 74.21 110.865 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.914 ' O ' ' N ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -61.09 -46.92 88.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 73.31 110.904 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.826 ' N ' ' CD1' ' A' ' 6' ' ' PHE . 0.7 OUTLIER 11.54 43.02 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 73.31 111.137 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.914 ' N ' ' O ' ' A' ' 6' ' ' PHE . 4.2 m -59.47 14.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 64.31 111.122 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.683 ' H ' ' C ' ' A' ' 7' ' ' VAL . . . -92.51 35.28 4.1 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.725 -0.75 . . . . 64.34 112.479 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.327 0 CA-C-O 120.815 0.34 . . . . 71.33 110.838 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . 0.635 HD13 ' HG2' ' A' ' 5' ' ' ARG . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.882 0.372 . . . . 54.43 110.87 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . 0.539 ' N ' HD12 ' A' ' 1' ' ' LEU . 0.0 OUTLIER -121.08 -84.07 0.66 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 74.55 110.891 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -177.05 24.0 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 71.33 110.863 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.652 ' C ' HG21 ' A' ' 8' ' ' VAL . 1.8 mtp85 -121.57 41.75 3.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 53.24 110.908 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.635 ' HG2' HD13 ' A' ' 1' ' ' LEU . 0.0 OUTLIER -121.7 36.5 4.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 73.53 110.822 -179.898 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 1.005 ' CD2' HG22 ' A' ' 7' ' ' VAL . 0.5 OUTLIER -120.86 -131.46 0.29 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 74.13 110.868 -179.92 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 1.005 HG22 ' CD2' ' A' ' 6' ' ' PHE . 27.8 m -64.06 -3.77 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.122 -0.49 . . . . 72.34 111.107 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.776 HG13 ' CE1' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -58.56 15.98 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 72.44 111.146 179.88 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.69 ' H ' ' C ' ' A' ' 7' ' ' VAL . . . -93.06 34.91 4.31 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.783 -0.722 . . . . 70.41 112.464 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 16.2 mmm-85 . . . . . 0 C--N 1.328 -0.331 0 CA-C-O 120.753 0.311 . . . . 71.22 110.899 -179.884 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.824 HD21 ' HD3' ' A' ' 5' ' ' ARG . 1.1 tt . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.831 0.348 . . . . 75.31 110.897 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.557 ' N ' HD23 ' A' ' 1' ' ' LEU . 0.1 OUTLIER -123.01 -94.33 0.5 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 72.13 110.932 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.15 16.11 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.111 -0.495 . . . . 74.03 110.878 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.554 ' O ' HG22 ' A' ' 7' ' ' VAL . 4.3 mtt-85 -121.12 1.76 10.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 74.23 110.892 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.824 ' HD3' HD21 ' A' ' 1' ' ' LEU . 4.3 ptt85 -41.85 -34.41 0.66 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 75.43 110.862 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.921 ' O ' ' N ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -58.13 -47.02 84.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 74.1 110.843 -179.86 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.828 ' N ' ' CD1' ' A' ' 6' ' ' PHE . 0.6 OUTLIER 11.54 43.08 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 74.54 111.098 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.921 ' N ' ' O ' ' A' ' 6' ' ' PHE . 4.2 m -59.62 14.22 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 74.01 111.135 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.681 ' H ' ' C ' ' A' ' 7' ' ' VAL . . . -92.55 35.13 4.16 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.764 -0.732 . . . . 71.15 112.499 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-O 120.784 0.326 . . . . 73.14 110.852 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.832 HD21 ' HD3' ' A' ' 5' ' ' ARG . 1.2 tt . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.778 0.323 . . . . 64.32 110.946 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.552 ' N ' HD23 ' A' ' 1' ' ' LEU . 0.1 OUTLIER -123.05 -94.46 0.49 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 74.34 110.947 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.22 17.05 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 75.54 110.889 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.555 ' O ' HG22 ' A' ' 7' ' ' VAL . 7.0 mtp180 -121.55 1.3 10.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 75.44 110.926 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.832 ' HD3' HD21 ' A' ' 1' ' ' LEU . 4.6 ptt85 -41.93 -34.39 0.67 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 64.33 110.805 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.918 ' O ' ' N ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -58.1 -47.06 84.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 71.14 110.89 -179.921 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.838 ' N ' ' CD1' ' A' ' 6' ' ' PHE . 0.6 OUTLIER 11.49 43.07 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 51.34 111.158 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.918 ' N ' ' O ' ' A' ' 6' ' ' PHE . 4.1 m -59.68 14.49 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 73.45 111.102 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.661 ' H ' ' C ' ' A' ' 7' ' ' VAL . . . -102.32 39.98 2.58 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.758 -0.734 . . . . 55.3 112.457 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-O 120.812 0.339 . . . . 74.03 110.859 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.826 HD21 ' HD3' ' A' ' 5' ' ' ARG . 1.1 tt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.83 0.348 . . . . 71.0 110.938 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.55 ' N ' HD23 ' A' ' 1' ' ' LEU . 0.1 OUTLIER -123.03 -94.31 0.5 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 75.51 110.898 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.08 16.1 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 73.21 110.895 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.545 ' O ' HG22 ' A' ' 7' ' ' VAL . 6.9 mtp180 -121.24 1.81 10.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 71.23 110.888 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.826 ' HD3' HD21 ' A' ' 1' ' ' LEU . 8.4 ptt-85 -41.8 -34.44 0.64 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 74.44 110.869 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.916 ' O ' ' N ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -58.06 -47.08 84.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 73.1 110.86 -179.922 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.837 ' N ' ' CD1' ' A' ' 6' ' ' PHE . 0.6 OUTLIER 11.54 43.08 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.463 . . . . 52.01 111.137 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.916 ' N ' ' O ' ' A' ' 6' ' ' PHE . 4.1 m -59.69 14.48 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 74.11 111.103 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.65 ' H ' ' C ' ' A' ' 7' ' ' VAL . . . -102.36 40.08 2.55 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.701 -0.762 . . . . 71.51 112.474 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-O 120.803 0.335 . . . . 65.13 110.864 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.639 HD21 ' HD2' ' A' ' 5' ' ' ARG . 1.2 tt . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.8 0.334 . . . . 74.22 110.919 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.56 ' N ' HD23 ' A' ' 1' ' ' LEU . 0.1 OUTLIER -123.01 -94.83 0.49 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 74.13 110.9 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.45 ' NE ' ' HE ' ' A' ' 4' ' ' ARG . 0.0 OUTLIER -177.54 16.97 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.484 . . . . 73.0 110.905 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.557 ' O ' HG22 ' A' ' 7' ' ' VAL . 3.2 mtt-85 -121.79 1.64 9.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 74.32 110.842 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.639 ' HD2' HD21 ' A' ' 1' ' ' LEU . 0.2 OUTLIER -41.58 -34.68 0.61 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 60.21 110.869 -179.937 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.911 ' O ' ' N ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -57.96 -47.16 83.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 71.13 110.857 -179.887 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.828 ' N ' ' CD1' ' A' ' 6' ' ' PHE . 0.6 OUTLIER 11.55 43.02 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 73.4 111.143 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.911 ' N ' ' O ' ' A' ' 6' ' ' PHE . 4.2 m -59.57 14.18 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 74.2 111.104 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.682 ' H ' ' C ' ' A' ' 7' ' ' VAL . . . -92.48 35.15 4.15 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.726 -0.749 . . . . 70.32 112.51 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-O 120.796 0.332 . . . . 74.11 110.89 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.809 0.338 . . . . 74.42 110.931 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -122.21 -93.9 0.51 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.169 -0.468 . . . . 73.42 110.907 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.1 15.87 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.488 . . . . 71.34 110.85 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.553 ' O ' HG22 ' A' ' 7' ' ' VAL . 8.6 mtp180 -121.62 1.79 10.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 73.31 110.833 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.4 ptt180 -41.71 -34.55 0.63 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 64.54 110.883 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.921 ' O ' ' N ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -58.02 -47.09 84.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 75.32 110.855 -179.943 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.831 ' N ' ' CD1' ' A' ' 6' ' ' PHE . 0.6 OUTLIER 11.54 42.99 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.484 . . . . 71.43 111.157 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.921 ' N ' ' O ' ' A' ' 6' ' ' PHE . 4.1 m -59.54 14.17 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 44.14 111.114 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.668 ' H ' ' C ' ' A' ' 7' ' ' VAL . . . -92.53 35.19 4.14 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.715 -0.755 . . . . 74.31 112.51 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.291 0 CA-C-O 120.787 0.327 . . . . 62.03 110.883 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.45 HD22 ' NH2' ' A' ' 5' ' ' ARG . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.823 0.344 . . . . 64.2 110.897 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -122.19 -94.24 0.5 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.466 . . . . 73.04 110.924 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.0 15.41 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.103 -0.498 . . . . 71.4 110.85 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.558 ' O ' HG22 ' A' ' 7' ' ' VAL . 7.0 mtp180 -121.46 3.01 10.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 71.22 110.902 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.45 ' NH2' HD22 ' A' ' 1' ' ' LEU . 2.1 ptm180 -41.7 -34.59 0.63 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 74.32 110.862 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.921 ' O ' ' N ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -57.97 -47.12 83.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 55.55 110.877 -179.928 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.82 ' N ' ' CD1' ' A' ' 6' ' ' PHE . 0.6 OUTLIER 11.58 42.95 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 63.54 111.148 179.927 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.921 ' N ' ' O ' ' A' ' 6' ' ' PHE . 4.1 m -59.55 14.26 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 71.33 111.149 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.682 ' H ' ' C ' ' A' ' 7' ' ' VAL . . . -92.6 35.23 4.13 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.72 -0.752 . . . . 73.21 112.472 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-O 120.814 0.34 . . . . 75.12 110.879 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.809 HD21 ' HD3' ' A' ' 5' ' ' ARG . 1.1 tt . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.788 0.328 . . . . 74.15 110.929 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.544 ' N ' HD23 ' A' ' 1' ' ' LEU . 0.1 OUTLIER -122.84 -94.89 0.49 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 72.32 110.915 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -177.56 16.4 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.086 -0.506 . . . . 72.41 110.907 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.556 ' O ' HG22 ' A' ' 7' ' ' VAL . 7.5 mtp180 -121.63 2.93 10.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 75.52 110.899 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.809 ' HD3' HD21 ' A' ' 1' ' ' LEU . 6.9 ptt180 -41.6 -34.68 0.62 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 75.32 110.851 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.912 ' O ' ' N ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -57.96 -47.18 83.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 72.23 110.844 -179.894 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.839 ' N ' ' CD1' ' A' ' 6' ' ' PHE . 0.6 OUTLIER 11.59 43.02 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 71.11 111.097 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.912 ' N ' ' O ' ' A' ' 6' ' ' PHE . 4.1 m -59.69 14.53 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 52.44 111.121 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.679 ' H ' ' C ' ' A' ' 7' ' ' VAL . . . -102.43 40.04 2.56 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.751 -0.738 . . . . 74.03 112.479 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.328 0 CA-C-O 120.84 0.352 . . . . 63.43 110.894 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.666 HD21 ' HD2' ' A' ' 5' ' ' ARG . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.825 0.345 . . . . 74.43 110.919 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.599 ' N ' HD23 ' A' ' 1' ' ' LEU . 0.1 OUTLIER -123.14 -94.91 0.48 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 73.52 110.954 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.58 16.42 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.072 -0.513 . . . . 63.21 110.866 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.555 ' O ' HG22 ' A' ' 7' ' ' VAL . 2.7 mtt-85 -121.41 2.73 10.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 73.3 110.885 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.666 ' HD2' HD21 ' A' ' 1' ' ' LEU . 0.2 OUTLIER -41.86 -34.51 0.67 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 72.33 110.84 -179.876 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.91 ' O ' ' N ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -57.96 -46.97 84.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 73.44 110.921 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.828 ' N ' ' CD1' ' A' ' 6' ' ' PHE . 0.6 OUTLIER 11.42 43.17 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.096 -0.502 . . . . 74.12 111.163 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.91 ' N ' ' O ' ' A' ' 6' ' ' PHE . 4.1 m -59.5 14.16 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 63.11 111.088 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.684 ' H ' ' C ' ' A' ' 7' ' ' VAL . . . -92.45 35.0 4.19 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.777 -0.725 . . . . 73.01 112.433 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-O 120.793 0.33 . . . . 61.41 110.875 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.833 HD21 ' HD3' ' A' ' 5' ' ' ARG . 1.2 tt . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.853 0.358 . . . . 75.31 110.898 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.554 ' N ' HD23 ' A' ' 1' ' ' LEU . 0.1 OUTLIER -123.08 -94.56 0.49 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 63.32 110.92 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -178.2 16.95 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 74.3 110.842 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.542 ' O ' HG22 ' A' ' 7' ' ' VAL . 0.0 OUTLIER -121.34 1.21 10.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 74.13 110.892 -179.937 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.833 ' HD3' HD21 ' A' ' 1' ' ' LEU . 8.7 ptt-85 -41.92 -34.37 0.67 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 74.51 110.843 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.922 ' O ' ' N ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -58.08 -47.08 84.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 74.54 110.924 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.837 ' N ' ' CD1' ' A' ' 6' ' ' PHE . 0.6 OUTLIER 11.56 43.05 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.485 . . . . 72.5 111.101 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.922 ' N ' ' O ' ' A' ' 6' ' ' PHE . 4.1 m -59.68 14.44 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 65.44 111.16 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.67 ' H ' ' C ' ' A' ' 7' ' ' VAL . . . -102.26 39.99 2.58 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.713 -0.756 . . . . 54.43 112.501 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-O 120.787 0.327 . . . . 75.22 110.842 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.655 HD21 ' HD2' ' A' ' 5' ' ' ARG . 1.1 tt . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.841 0.353 . . . . 74.4 110.868 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.546 ' N ' HD23 ' A' ' 1' ' ' LEU . 0.1 OUTLIER -122.98 -94.71 0.49 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 75.13 110.933 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -177.51 16.51 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.111 -0.495 . . . . 75.41 110.886 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.556 ' O ' HG22 ' A' ' 7' ' ' VAL . 2.1 mtp85 -121.7 2.08 10.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 64.32 110.879 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.655 ' HD2' HD21 ' A' ' 1' ' ' LEU . 0.2 OUTLIER -41.67 -34.65 0.63 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 75.44 110.851 -179.922 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.908 ' O ' ' N ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -57.92 -47.19 83.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 71.45 110.869 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.84 ' N ' ' CD1' ' A' ' 6' ' ' PHE . 0.6 OUTLIER 11.6 42.99 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 62.33 111.131 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.908 ' N ' ' O ' ' A' ' 6' ' ' PHE . 4.1 m -59.79 15.15 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 65.3 111.132 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.682 ' H ' ' C ' ' A' ' 7' ' ' VAL . . . -102.08 40.14 2.53 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.749 -0.739 . . . . 52.14 112.464 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-O 120.839 0.352 . . . . 74.11 110.842 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.704 HD21 ' HD2' ' A' ' 5' ' ' ARG . 1.3 tt . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.85 0.357 . . . . 70.01 110.927 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.559 ' N ' HD23 ' A' ' 1' ' ' LEU . 0.1 OUTLIER -123.22 -95.03 0.48 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 74.22 110.928 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 178.85 22.32 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.095 -0.502 . . . . 74.24 110.891 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.561 ' O ' HG22 ' A' ' 7' ' ' VAL . 6.6 mtt180 -122.77 -3.07 8.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 73.54 110.896 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.704 ' HD2' HD21 ' A' ' 1' ' ' LEU . 0.8 OUTLIER -41.96 -34.12 0.64 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 74.41 110.894 -179.915 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.91 ' O ' ' N ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -58.49 -47.03 85.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 62.35 110.882 -179.939 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.826 ' N ' ' CD1' ' A' ' 6' ' ' PHE . 0.6 OUTLIER 11.46 43.06 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 73.11 111.114 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.91 ' N ' ' O ' ' A' ' 6' ' ' PHE . 4.2 m -59.56 14.24 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 61.41 111.146 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.682 ' H ' ' C ' ' A' ' 7' ' ' VAL . . . -92.57 35.24 4.12 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.735 -0.745 . . . . 65.34 112.478 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-O 120.782 0.325 . . . . 75.14 110.856 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.547 HD13 ' HD2' ' A' ' 5' ' ' ARG . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.874 0.369 . . . . 72.51 110.894 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -121.93 -97.33 0.46 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 74.2 110.945 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -176.35 28.47 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 61.42 110.853 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.584 ' O ' HG22 ' A' ' 7' ' ' VAL . 1.8 ptm180 -121.7 -7.82 9.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 71.5 110.87 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.547 ' HD2' HD13 ' A' ' 1' ' ' LEU . 0.4 OUTLIER -42.5 -32.63 0.57 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 73.32 110.865 -179.897 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.927 ' O ' ' N ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -61.13 -46.96 88.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 73.41 110.866 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.829 ' N ' ' CD1' ' A' ' 6' ' ' PHE . 0.7 OUTLIER 11.53 43.08 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 61.31 111.132 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.927 ' N ' ' O ' ' A' ' 6' ' ' PHE . 4.2 m -59.65 14.34 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 73.52 111.146 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.661 ' H ' ' C ' ' A' ' 7' ' ' VAL . . . -101.94 39.85 2.62 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.771 -0.728 . . . . 72.35 112.477 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.333 0 CA-C-O 120.815 0.34 . . . . 41.53 110.843 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.807 0.337 . . . . 74.53 110.961 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -122.02 -94.15 0.5 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 72.11 110.92 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 177.18 22.82 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.098 -0.501 . . . . 70.11 110.894 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.562 ' O ' HG22 ' A' ' 7' ' ' VAL . 7.5 mtp180 -122.71 -4.37 8.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 73.13 110.927 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.7 ptt85 -42.15 -33.57 0.62 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 75.32 110.918 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.916 ' O ' ' N ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -59.34 -47.02 87.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 73.1 110.875 -179.933 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.839 ' N ' ' CD1' ' A' ' 6' ' ' PHE . 0.6 OUTLIER 11.47 43.1 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 75.44 111.12 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.916 ' N ' ' O ' ' A' ' 6' ' ' PHE . 4.2 m -59.59 14.2 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 73.02 111.142 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.652 ' H ' ' C ' ' A' ' 7' ' ' VAL . . . -92.55 35.21 4.13 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.731 -0.747 . . . . 72.43 112.497 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.274 0 CA-C-O 120.849 0.357 . . . . 74.11 110.89 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.656 HD21 ' HD2' ' A' ' 5' ' ' ARG . 1.1 tt . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.831 0.348 . . . . 72.43 110.928 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.554 ' N ' HD23 ' A' ' 1' ' ' LEU . 0.1 OUTLIER -122.83 -94.73 0.49 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 73.14 110.907 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -177.41 14.2 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 73.42 110.875 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.559 ' O ' HG22 ' A' ' 7' ' ' VAL . 12.1 mmt180 -118.22 1.13 11.87 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.184 -0.462 . . . . 74.04 110.841 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.656 ' HD2' HD21 ' A' ' 1' ' ' LEU . 0.2 OUTLIER -41.64 -34.69 0.63 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 64.22 110.849 -179.869 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.931 ' O ' ' N ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -57.89 -47.15 83.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 74.43 110.913 -179.938 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.835 ' N ' ' CD1' ' A' ' 6' ' ' PHE . 0.6 OUTLIER 11.54 43.04 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.122 -0.49 . . . . 65.24 111.1 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.931 ' N ' ' O ' ' A' ' 6' ' ' PHE . 4.2 m -59.57 14.15 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 73.45 111.132 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.679 ' H ' ' C ' ' A' ' 7' ' ' VAL . . . -92.73 35.33 4.11 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.702 -0.761 . . . . 53.54 112.5 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 11.8 mmm180 . . . . . 0 C--N 1.329 -0.301 0 CA-C-O 120.784 0.326 . . . . 74.24 110.837 -179.868 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.836 HD21 ' HD3' ' A' ' 5' ' ' ARG . 1.3 tt . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.79 0.329 . . . . 73.02 110.957 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.565 ' N ' HD23 ' A' ' 1' ' ' LEU . 0.1 OUTLIER -122.92 -95.93 0.47 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 53.53 110.919 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.09 19.3 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.074 -0.512 . . . . 74.21 110.883 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.559 ' O ' HG22 ' A' ' 7' ' ' VAL . 7.0 mmt-85 -120.51 -0.61 10.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 74.15 110.895 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.836 ' HD3' HD21 ' A' ' 1' ' ' LEU . 7.1 ptt180 -41.72 -34.47 0.62 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 62.02 110.835 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.914 ' O ' ' N ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -58.04 -47.15 83.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 73.54 110.877 -179.92 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.82 ' N ' ' CD1' ' A' ' 6' ' ' PHE . 0.6 OUTLIER 11.55 43.02 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.125 -0.489 . . . . 65.24 111.135 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.914 ' N ' ' O ' ' A' ' 6' ' ' PHE . 4.2 m -59.52 14.23 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 72.12 111.105 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.684 ' H ' ' C ' ' A' ' 7' ' ' VAL . . . -92.57 35.19 4.14 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.745 -0.741 . . . . 60.35 112.473 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.282 0 CA-C-O 120.822 0.344 . . . . 75.13 110.905 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.839 HD21 ' HD3' ' A' ' 5' ' ' ARG . 1.3 tt . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.829 0.347 . . . . 65.21 110.92 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.564 ' N ' HD23 ' A' ' 1' ' ' LEU . 0.1 OUTLIER -122.91 -95.95 0.47 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 72.22 110.893 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.12 19.43 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 52.13 110.837 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.56 ' O ' HG22 ' A' ' 7' ' ' VAL . 7.0 mmt-85 -120.56 -0.65 10.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 62.15 110.853 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.839 ' HD3' HD21 ' A' ' 1' ' ' LEU . 7.1 ptt180 -41.73 -34.43 0.62 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 54.42 110.889 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.92 ' O ' ' N ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -58.06 -47.13 84.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 65.44 110.844 -179.909 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.821 ' N ' ' CD1' ' A' ' 6' ' ' PHE . 0.6 OUTLIER 11.49 43.09 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 72.52 111.134 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.92 ' N ' ' O ' ' A' ' 6' ' ' PHE . 4.2 m -59.66 14.27 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.471 . . . . 64.43 111.109 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.682 ' H ' ' C ' ' A' ' 7' ' ' VAL . . . -92.56 35.14 4.16 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.755 -0.736 . . . . 13.31 112.488 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.271 0 CA-C-O 120.802 0.334 . . . . 72.44 110.88 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.563 HD23 ' N ' ' A' ' 2' ' ' TYR . 1.4 tt . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.816 0.341 . . . . 54.32 110.936 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.563 ' N ' HD23 ' A' ' 1' ' ' LEU . 0.1 OUTLIER -122.98 -98.59 0.43 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 70.42 110.932 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -160.24 5.53 0.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 74.32 110.861 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.54 ' O ' HG13 ' A' ' 7' ' ' VAL . 1.9 mtp85 -120.56 19.32 11.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 70.54 110.9 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.445 ' HE ' HD11 ' A' ' 1' ' ' LEU . 2.7 ptm180 -41.02 -36.06 0.62 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 73.2 110.863 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.928 ' O ' ' N ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -56.8 -46.75 81.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 73.12 110.881 -179.893 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.836 ' N ' ' CD1' ' A' ' 6' ' ' PHE . 0.7 OUTLIER 11.66 42.9 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 62.2 111.127 179.938 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.928 ' N ' ' O ' ' A' ' 6' ' ' PHE . 4.1 m -59.57 14.05 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.478 . . . . 73.42 111.094 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.674 ' H ' ' C ' ' A' ' 7' ' ' VAL . . . -101.09 39.53 2.71 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.733 -0.746 . . . . 65.1 112.504 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-O 120.857 0.36 . . . . 73.33 110.88 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.516 HD13 ' HD2' ' A' ' 5' ' ' ARG . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.787 0.327 . . . . 54.31 110.973 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.456 ' CD1' ' N ' ' A' ' 2' ' ' TYR . 0.1 OUTLIER -122.76 -98.83 0.43 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.262 -0.426 . . . . 72.33 110.984 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -161.74 7.12 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 70.24 110.876 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.577 ' O ' HG22 ' A' ' 7' ' ' VAL . 42.5 mmm-85 -115.39 6.81 14.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 75.52 110.826 -179.83 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.516 ' HD2' HD13 ' A' ' 1' ' ' LEU . 8.1 ptt180 -40.94 -35.56 0.54 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 64.41 110.866 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.916 ' O ' ' N ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -57.4 -47.6 81.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 65.42 110.857 -179.933 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.84 ' N ' ' CD1' ' A' ' 6' ' ' PHE . 0.6 OUTLIER 11.51 43.01 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 53.44 111.144 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.916 ' N ' ' O ' ' A' ' 6' ' ' PHE . 4.1 m -59.85 15.13 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.168 -0.469 . . . . 75.33 111.076 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.683 ' H ' ' C ' ' A' ' 7' ' ' VAL . . . -101.88 40.03 2.56 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.804 -0.712 . . . . 42.32 112.488 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-O 120.838 0.351 . . . . 72.3 110.882 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.465 HD12 ' H ' ' A' ' 2' ' ' TYR . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.894 0.378 . . . . 72.34 110.919 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.47 ' O ' ' HB3' ' A' ' 3' ' ' ARG . 0.1 OUTLIER -124.99 -87.9 0.61 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.485 . . . . 74.44 110.942 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.47 ' HB3' ' O ' ' A' ' 2' ' ' TYR . 0.1 OUTLIER 177.11 11.41 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.489 . . . . 64.45 110.844 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.589 ' O ' HG22 ' A' ' 7' ' ' VAL . 12.1 mmt85 -114.83 -7.33 12.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 71.01 110.89 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -42.54 -32.62 0.58 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 74.21 110.865 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.914 ' O ' ' N ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -61.09 -46.92 88.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 73.31 110.904 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.826 ' N ' ' CD1' ' A' ' 6' ' ' PHE . 0.7 OUTLIER 11.54 43.02 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 73.31 111.137 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.914 ' N ' ' O ' ' A' ' 6' ' ' PHE . 4.2 m -59.47 14.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 64.31 111.122 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.683 ' H ' ' C ' ' A' ' 7' ' ' VAL . . . -92.51 35.28 4.1 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.725 -0.75 . . . . 64.34 112.479 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.327 0 CA-C-O 120.815 0.34 . . . . 71.33 110.838 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.635 HD13 ' HG2' ' A' ' 5' ' ' ARG . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.882 0.372 . . . . 54.43 110.87 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.539 ' N ' HD12 ' A' ' 1' ' ' LEU . 0.0 OUTLIER -121.08 -84.07 0.66 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 74.55 110.891 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -177.05 24.0 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 71.33 110.863 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.652 ' C ' HG21 ' A' ' 8' ' ' VAL . 1.8 mtp85 -121.57 41.75 3.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 53.24 110.908 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.635 ' HG2' HD13 ' A' ' 1' ' ' LEU . 0.0 OUTLIER -121.7 36.5 4.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 73.53 110.822 -179.898 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 1.005 ' CD2' HG22 ' A' ' 7' ' ' VAL . 0.5 OUTLIER -120.86 -131.46 0.29 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 74.13 110.868 -179.92 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 1.005 HG22 ' CD2' ' A' ' 6' ' ' PHE . 27.8 m -64.06 -3.77 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.122 -0.49 . . . . 72.34 111.107 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.776 HG13 ' CE1' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -58.56 15.98 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 72.44 111.146 179.88 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.69 ' H ' ' C ' ' A' ' 7' ' ' VAL . . . -93.06 34.91 4.31 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.783 -0.722 . . . . 70.41 112.464 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 16.2 mmm-85 . . . . . 0 C--N 1.328 -0.331 0 CA-C-O 120.753 0.311 . . . . 71.22 110.899 -179.884 . . . . . . . . 0 0 . 1 stop_ save_