data_2l0o_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 2l0o _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 12.8 t . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.831 0.348 . . . . 75.11 111.108 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 6.1 tp -51.43 -29.86 9.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.479 . . . . 75.22 111.135 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 17.4 m95 -57.0 -47.42 80.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 75.24 110.912 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 16.8 mt -75.04 -30.74 61.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.234 -0.439 . . . . 73.22 110.929 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -77.0 -13.1 60.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.466 . . . . 64.12 110.914 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.82 25.32 7.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 72.0 110.832 -179.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -118.74 -31.28 4.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 65.33 111.098 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -82.65 0.79 41.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 75.14 110.832 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.81 -44.28 3.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 73.11 110.843 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -90.2 15.8 58.85 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.777 -0.725 . . . . 74.03 112.515 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.6 t -144.82 11.56 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.793 0.33 . . . . 64.51 111.087 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -134.31 -75.82 0.47 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 75.51 110.875 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.84 -16.68 60.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 72.22 110.903 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.2 m -107.68 -23.94 11.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 73.02 111.158 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 21.0 t80 -57.28 -42.97 82.66 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.228 -0.442 . . . . 72.33 110.938 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 74.23 110.899 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 13.1 t . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.85 0.357 . . . . 74.04 111.141 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.0 tt -51.3 -29.95 9.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 75.21 111.128 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 17.0 m95 -56.75 -47.36 80.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 74.34 110.921 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 58.0 mt -75.31 -31.05 60.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.442 . . . . 74.24 110.885 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -77.12 -11.64 59.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 73.24 110.879 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -126.22 25.46 6.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.487 . . . . 70.23 110.84 -179.837 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -118.41 -32.41 4.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 75.43 111.123 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -82.93 1.11 41.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 74.14 110.882 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.25 -44.24 3.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 75.12 110.866 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -90.17 15.64 59.2 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.742 -0.742 . . . . 51.55 112.468 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.6 t -144.9 11.66 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.758 0.313 . . . . 74.23 111.124 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -134.51 -75.75 0.46 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 73.53 110.956 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -75.83 -16.59 60.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 65.22 110.888 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 10.3 m -107.8 -23.98 11.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 73.02 111.13 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -57.24 -42.77 82.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.436 . . . . 74.32 110.913 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.104 -0.498 . . . . 73.41 110.905 -179.992 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 13.2 t . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.788 0.328 . . . . 74.02 111.141 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.2 tt -51.14 -30.41 9.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 74.13 111.176 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 16.3 m95 -56.09 -46.48 79.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.481 . . . . 74.25 110.904 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -76.82 -30.79 56.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.439 . . . . 75.51 110.918 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -78.54 -7.42 57.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.121 -0.49 . . . . 64.03 110.951 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.11 24.09 5.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.103 -0.499 . . . . 73.13 110.892 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -118.62 -30.11 5.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 70.2 111.132 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -85.74 4.81 35.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 74.3 110.846 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 15.7 ptp180 -110.71 -39.88 4.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 74.5 110.882 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -100.88 14.43 58.76 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.705 -0.759 . . . . 64.32 112.515 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.5 t -148.79 28.87 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.766 0.317 . . . . 72.21 111.1 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 17.8 tt0 -148.82 -76.19 0.16 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 73.12 110.908 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -84.77 -10.3 57.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 73.22 110.95 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 94.4 m -112.22 -28.34 7.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 73.53 111.115 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -55.96 -47.64 77.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 71.23 110.897 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 72.43 110.886 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 12.5 t . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.83 0.348 . . . . 71.33 111.15 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.9 tp -51.26 -30.15 9.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 65.53 111.111 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 15.7 m95 -55.44 -46.13 76.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 75.21 110.905 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 34.7 mt -76.76 -32.85 58.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 72.15 110.907 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -75.61 -9.48 58.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.237 -0.438 . . . . 74.04 110.947 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.4 t -115.97 -19.83 10.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.101 -0.499 . . . . 75.42 110.825 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -85.84 -20.43 29.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 71.31 111.131 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -86.7 6.09 32.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 74.03 110.858 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.8 tpp180 -111.13 -41.67 4.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 75.1 110.88 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -99.48 14.25 60.87 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.811 -0.709 . . . . 72.35 112.445 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.5 t -148.68 29.19 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.773 0.321 . . . . 74.0 111.136 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 77.9 mm-40 -149.22 -76.34 0.16 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 74.33 110.909 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -84.66 -10.28 57.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.198 -0.456 . . . . 75.41 110.942 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 90.5 m -112.41 -28.01 8.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.476 . . . . 72.55 111.125 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -56.22 -47.53 78.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.462 . . . . 73.54 110.936 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.103 -0.499 . . . . 71.21 110.891 -179.966 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 13.1 t . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.836 0.35 . . . . 75.31 111.135 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.7 tt -51.07 -30.66 9.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 73.53 111.148 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 16.2 m95 -55.73 -46.29 77.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.479 . . . . 72.42 110.905 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 12.9 mt -77.17 -31.09 55.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 75.22 110.923 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -78.34 -6.78 56.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 63.41 110.877 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.28 25.11 5.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 64.15 110.895 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -115.43 -39.41 3.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.087 -0.506 . . . . 74.44 111.085 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -81.86 -0.06 41.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 74.3 110.854 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.5 mtm180 -112.95 -43.59 3.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 75.35 110.873 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -90.1 15.31 59.9 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.743 -0.741 . . . . 73.23 112.433 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.7 t -144.72 11.29 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.778 0.323 . . . . 73.21 111.137 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 -133.11 -75.8 0.49 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 74.51 110.934 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.4 pp -76.46 -16.95 59.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 74.32 110.931 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 10.1 m -106.69 -23.86 12.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 71.41 111.108 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 20.4 t80 -57.46 -44.94 85.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 74.2 110.953 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.089 -0.505 . . . . 74.34 110.878 -179.968 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 13.1 t . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.843 0.354 . . . . 70.53 111.158 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.0 tt -51.35 -30.02 9.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 75.42 111.126 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 16.8 m95 -57.04 -45.11 83.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 74.01 110.9 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 32.9 mt -78.17 -29.8 48.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 72.13 110.923 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -79.36 -8.76 59.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.451 . . . . 74.45 110.93 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.9 t -116.16 -20.54 9.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.076 -0.511 . . . . 62.2 110.833 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -85.35 -21.18 29.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 63.04 111.097 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -82.63 1.37 38.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 75.22 110.882 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.1 ttm180 -111.16 -40.44 4.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 75.22 110.83 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -98.39 18.62 56.75 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.782 -0.723 . . . . 73.02 112.507 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.1 t -150.6 20.75 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.804 0.335 . . . . 73.43 111.137 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -146.3 -76.26 0.2 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 72.14 110.937 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.33 -9.95 59.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 72.04 110.949 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 99.5 m -113.6 -30.2 6.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 74.3 111.178 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -53.58 -40.85 65.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 73.33 110.94 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 74.42 110.848 179.992 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 12.7 t . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.83 0.348 . . . . 75.44 111.115 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.6 tt -51.21 -30.29 9.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 73.24 111.169 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 16.4 m95 -56.14 -46.51 79.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 74.13 110.874 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 13.8 mt -76.88 -30.92 56.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.262 -0.426 . . . . 65.13 110.886 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -78.24 -7.69 57.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.2 -0.454 . . . . 62.12 110.965 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.64 25.26 5.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.097 -0.501 . . . . 65.42 110.875 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -116.5 -37.06 3.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.491 . . . . 74.15 111.114 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -82.5 0.65 41.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 73.12 110.891 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -113.35 -44.0 3.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 75.42 110.856 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -89.98 15.27 59.8 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.753 -0.737 . . . . 74.03 112.525 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.6 t -144.85 11.63 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.752 0.311 . . . . 74.51 111.114 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 32.2 tp60 -134.48 -75.85 0.46 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 71.32 110.878 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -75.68 -16.6 60.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 74.33 110.955 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.3 m -107.86 -23.97 11.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 75.23 111.145 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -57.33 -42.6 82.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 73.2 110.949 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 70.23 110.889 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 12.5 t . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.753 0.311 . . . . 72.15 111.098 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 8.3 tp -50.98 -32.87 12.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 73.41 111.168 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 14.4 m95 -53.79 -46.74 71.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 74.31 110.937 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.6 mt -76.45 -31.25 57.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.439 . . . . 74.52 110.914 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -79.13 -3.13 43.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.179 -0.464 . . . . 73.24 110.895 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -135.15 31.81 3.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 73.04 110.848 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -125.16 -38.83 2.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 64.34 111.096 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 33.5 p90 -55.52 -32.52 62.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 73.04 110.883 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 8.8 mtm180 -79.57 -34.03 41.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 75.22 110.875 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -99.43 18.93 55.66 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.779 -0.724 . . . . 73.14 112.517 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.5 p -132.07 1.85 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.842 0.353 . . . . 64.32 111.157 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -123.43 -75.8 0.6 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 71.52 110.933 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.43 -18.19 60.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 71.54 110.937 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -104.68 -29.07 10.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 71.33 111.165 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -52.09 -42.4 63.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.232 -0.44 . . . . 74.03 110.975 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.102 -0.499 . . . . 72.13 110.9 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 13.0 t . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.785 0.326 . . . . 74.24 111.077 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.6 tt -51.34 -30.16 10.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 75.53 111.118 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 16.5 m95 -56.77 -45.54 82.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.452 . . . . 72.3 110.91 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.2 mt -77.67 -30.12 51.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 75.24 110.934 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -78.88 -9.0 59.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.47 . . . . 73.24 110.937 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.3 t -116.16 -19.63 10.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.105 -0.498 . . . . 73.3 110.865 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.13 -20.83 28.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 74.31 111.079 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -86.76 5.86 34.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 71.44 110.864 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 3.2 ttm180 -117.13 -45.7 2.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 74.01 110.872 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -90.31 16.04 58.46 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.722 -0.752 . . . . 73.13 112.459 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.6 t -144.67 11.5 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.791 0.329 . . . . 73.12 111.097 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.9 tp60 -134.3 -75.74 0.47 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 75.35 110.917 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.77 -16.72 60.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.215 -0.448 . . . . 74.11 110.904 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.3 m -107.68 -24.01 11.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 72.55 111.181 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 23.0 t80 -57.25 -42.75 82.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 74.35 110.864 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 70.43 110.873 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 12.6 t . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.798 0.332 . . . . 73.33 111.139 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.3 tt -51.31 -30.19 9.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 73.54 111.134 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 16.5 m95 -56.29 -46.41 79.77 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.171 -0.468 . . . . 63.5 110.87 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 34.9 mt -76.93 -30.83 56.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 71.23 110.951 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -78.27 -7.98 57.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 72.53 110.96 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.27 25.22 5.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.096 -0.502 . . . . 73.02 110.855 -179.846 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -115.75 -38.52 3.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 73.14 111.096 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -81.68 -0.24 41.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 74.03 110.883 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.9 ttm180 -113.28 -43.18 3.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 73.05 110.892 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -90.29 15.86 58.86 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.765 -0.731 . . . . 52.23 112.457 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.407 ' HA ' ' HB2' ' A' ' 22' ' ' TYR . 3.8 t -145.0 10.3 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.853 0.359 . . . . 75.43 111.169 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 24.2 mm-40 -135.77 -76.12 0.44 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 74.51 110.948 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.4 mt -72.84 -17.75 61.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 75.55 110.917 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 17.0 m -107.96 -23.8 11.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 60.2 111.156 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.407 ' HB2' ' HA ' ' A' ' 18' ' ' VAL . 22.5 t80 -60.7 -32.05 71.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 75.04 110.928 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.131 -0.486 . . . . 73.54 110.876 -179.98 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 13.1 t . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.777 0.322 . . . . 74.33 111.082 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -51.39 -29.9 9.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 75.51 111.138 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 17.4 m95 -56.93 -47.56 80.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 72.31 110.936 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.3 mp -74.89 -30.84 61.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 74.31 110.895 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -76.97 -12.98 60.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 72.11 110.872 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.98 25.41 7.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 61.44 110.894 -179.845 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -119.03 -30.98 4.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.108 -0.496 . . . . 75.22 111.085 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -82.49 0.53 42.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 75.12 110.859 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 9.5 mtm180 -113.28 -43.75 3.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 75.05 110.887 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -90.33 16.26 57.95 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.72 -0.752 . . . . 73.22 112.493 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.411 ' HA ' ' HB2' ' A' ' 22' ' ' TYR . 3.8 t -145.02 10.41 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.827 0.346 . . . . 72.42 111.169 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 19.7 mm-40 -135.9 -76.13 0.44 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 74.02 110.866 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.6 tp -72.89 -17.73 61.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.267 -0.424 . . . . 72.53 110.905 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.4 m -107.94 -23.75 11.9 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.188 -0.46 . . . . 75.35 111.186 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.411 ' HB2' ' HA ' ' A' ' 18' ' ' VAL . 24.1 t80 -60.68 -32.13 71.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 75.54 110.965 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.097 -0.502 . . . . 72.31 110.908 179.981 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.8 t . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.794 0.33 . . . . 71.14 111.167 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 10.0 tp -58.02 -26.88 30.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 73.41 111.093 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 16.8 m95 -57.47 -45.37 84.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.185 -0.461 . . . . 74.34 110.889 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -75.69 -29.18 58.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 73.13 110.952 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -75.72 -18.92 59.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 75.14 110.94 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.37 -18.78 13.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.094 -0.503 . . . . 45.15 110.85 -179.84 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.99 -20.73 30.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.494 . . . . 54.42 111.119 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -81.94 0.72 38.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 72.32 110.899 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.14 -40.71 4.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 75.43 110.886 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -97.7 19.17 55.68 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.729 -0.748 . . . . 62.34 112.429 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.2 t -150.78 19.36 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.767 0.318 . . . . 74.24 111.089 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 22.2 mm100 -145.84 -76.08 0.21 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 73.12 110.887 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.4 pp -77.61 -9.85 59.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 74.32 110.921 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 99.8 m -113.82 -31.66 6.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 73.04 111.142 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -52.63 -38.5 60.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 73.43 110.9 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 71.24 110.924 -179.996 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 12.9 t . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.804 0.335 . . . . 74.43 111.155 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 9.8 tp -51.18 -30.44 9.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 72.13 111.119 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 16.2 m95 -55.93 -46.65 78.41 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.176 -0.465 . . . . 75.41 110.856 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 12.6 mt -76.72 -31.16 56.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.267 -0.424 . . . . 73.33 110.876 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -78.18 -7.16 56.74 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.206 -0.452 . . . . 64.05 110.867 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.22 25.49 5.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 74.34 110.854 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -116.94 -36.81 3.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.49 . . . . 71.51 111.132 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -82.34 0.44 41.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 75.12 110.888 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -113.54 -43.65 3.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 72.42 110.886 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -90.21 15.72 59.05 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.748 -0.739 . . . . 63.22 112.43 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.404 ' HA ' ' HB2' ' A' ' 22' ' ' TYR . 3.8 t -144.66 10.53 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.773 0.321 . . . . 72.42 111.081 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 70.8 mm-40 -131.91 -76.12 0.51 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 73.41 110.927 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -76.22 -17.74 59.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 72.14 110.887 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.5 m -105.3 -24.23 12.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 71.45 111.18 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.404 ' HB2' ' HA ' ' A' ' 18' ' ' VAL . 20.6 t80 -58.14 -44.05 87.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.452 . . . . 72.22 110.924 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 75.03 110.87 -179.999 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 12.9 t . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.842 0.353 . . . . 72.33 111.148 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 15.6 tt -51.21 -30.26 9.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 72.33 111.096 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 16.4 m95 -56.32 -46.66 79.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 71.34 110.906 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 94.4 mt -76.57 -30.71 57.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 63.44 110.936 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -78.49 -8.01 58.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 73.11 110.912 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.59 24.61 5.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.486 . . . . 64.23 110.836 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -118.96 -30.71 4.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 71.31 111.093 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -83.17 1.34 41.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 73.14 110.866 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 15.0 ptp180 -113.85 -44.02 3.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 74.42 110.848 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -90.32 16.13 58.25 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.738 -0.744 . . . . 61.22 112.523 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.7 t -144.6 10.39 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.719 0.295 . . . . 75.41 111.115 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -131.73 -76.12 0.51 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 75.32 110.936 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -76.32 -17.7 59.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.173 -0.467 . . . . 74.51 110.923 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.5 m -105.28 -24.11 12.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.456 . . . . 72.01 111.149 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 21.3 t80 -58.24 -44.27 88.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 74.54 110.885 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 70.34 110.876 -179.987 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.1 t . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.813 0.339 . . . . 71.54 111.139 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.0 tt -52.82 -28.48 13.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 74.01 111.151 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 16.8 m95 -56.31 -46.88 79.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.472 . . . . 75.24 110.902 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 9.1 mt -74.4 -32.84 62.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 74.25 110.919 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -73.87 -16.96 61.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 73.11 110.941 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.82 24.51 10.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.086 -0.506 . . . . 73.32 110.828 -179.816 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -118.28 -29.45 5.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 74.13 111.073 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -85.53 4.63 35.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.255 -0.429 . . . . 75.1 110.912 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.68 -39.59 4.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 74.04 110.896 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -101.12 14.53 58.4 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.717 -0.754 . . . . 64.13 112.471 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.5 t -148.88 28.78 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.801 0.334 . . . . 60.11 111.153 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -148.78 -76.18 0.16 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 74.33 110.885 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -84.75 -10.22 57.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 74.04 110.934 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 94.9 m -112.31 -28.35 7.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 71.25 111.107 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -55.97 -47.68 77.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.22 -0.445 . . . . 72.13 110.907 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 63.43 110.853 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.3 t . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.794 0.331 . . . . 74.13 111.126 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 11.2 tt -52.8 -28.52 13.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 72.22 111.155 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 16.7 m95 -56.44 -46.77 80.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.471 . . . . 74.03 110.884 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -74.42 -32.77 62.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 73.1 110.931 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -73.91 -17.15 61.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.23 -0.441 . . . . 74.44 110.936 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.65 24.67 10.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.483 . . . . 75.02 110.901 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -118.35 -29.61 5.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.09 -0.505 . . . . 71.32 111.066 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -84.06 2.74 37.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 74.5 110.904 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 12.6 ptp180 -110.03 -37.33 5.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 74.41 110.861 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -103.1 15.81 54.51 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.731 -0.747 . . . . 74.33 112.506 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.5 t -149.84 27.6 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.814 0.34 . . . . 74.35 111.15 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 48.2 tp60 -146.29 -76.52 0.19 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 73.14 110.903 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -85.66 -10.73 55.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 72.35 110.931 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 98.0 m -110.47 -27.57 8.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.175 -0.466 . . . . 74.43 111.172 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -58.02 -49.39 77.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.182 -0.463 . . . . 75.34 110.895 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.107 -0.497 . . . . 75.1 110.891 -179.962 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.2 p . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.757 0.313 . . . . 74.23 111.087 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 13.7 tt -65.14 -27.19 41.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 71.52 111.096 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 15.7 m95 -55.05 -42.49 72.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.201 -0.454 . . . . 64.44 110.93 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.9 mt -79.78 -33.95 40.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.262 -0.426 . . . . 73.32 110.883 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -76.86 -5.11 47.06 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.203 -0.453 . . . . 75.31 110.951 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -131.8 25.06 4.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.077 -0.511 . . . . 73.24 110.876 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -119.88 -31.94 4.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 75.42 111.111 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -85.3 4.38 35.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 74.44 110.906 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.3 mmt180 -110.66 -39.3 4.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.101 -0.5 . . . . 75.11 110.841 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -101.27 14.5 58.21 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.758 -0.734 . . . . 72.23 112.507 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.5 t -148.86 28.66 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.812 0.339 . . . . 72.03 111.16 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -148.58 -76.14 0.17 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 73.44 110.903 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -84.91 -10.26 57.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 75.24 110.919 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 95.5 m -112.16 -28.32 8.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 75.33 111.139 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -56.01 -47.82 77.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 74.4 110.924 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 73.32 110.851 -179.986 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 12.9 t . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.81 0.338 . . . . 65.23 111.178 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.5 tt -51.34 -29.99 9.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.478 . . . . 74.54 111.13 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 17.2 m95 -56.62 -48.0 78.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 65.42 110.913 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -74.44 -31.5 62.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 74.42 110.958 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -76.16 -13.21 60.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 74.22 110.936 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.68 24.45 7.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 73.01 110.852 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -118.38 -29.44 5.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 75.42 111.097 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -81.04 -0.35 39.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 74.5 110.928 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -110.89 -39.31 4.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.106 -0.497 . . . . 74.04 110.868 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -98.71 19.32 54.83 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.741 -0.742 . . . . 64.24 112.48 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.3 t -150.87 18.89 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.805 0.336 . . . . 71.31 111.174 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 49.1 tp60 -145.07 -75.96 0.22 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 71.33 110.908 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -77.51 -10.76 59.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 72.42 110.896 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 88.5 m -112.34 -32.84 6.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 74.42 111.15 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -51.9 -38.14 55.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 72.45 110.94 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.124 -0.489 . . . . 72.41 110.877 -179.981 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 10.8 t . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.803 0.335 . . . . 64.23 111.129 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.5 tt -56.12 -23.46 15.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 64.44 111.138 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -69.16 -32.99 72.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 73.13 110.946 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.3 mt -90.3 -20.14 23.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.471 . . . . 75.12 110.912 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -87.83 -25.63 23.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.474 . . . . 71.43 110.912 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -95.71 -17.16 21.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 75.33 110.847 -179.853 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -91.79 -22.84 19.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 54.45 111.11 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -84.09 2.55 38.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 74.15 110.897 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 11.3 ptp180 -110.18 -37.25 5.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 74.23 110.892 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -102.86 16.2 54.69 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.746 -0.74 . . . . 54.15 112.489 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.5 t -150.1 26.83 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.76 0.314 . . . . 71.42 111.104 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 26.2 mm100 -145.51 -76.51 0.21 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.491 . . . . 72.15 110.918 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.5 mt -85.75 -10.37 55.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 71.22 110.917 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 98.5 m -110.48 -28.0 8.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 71.24 111.132 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -57.74 -49.68 75.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 74.03 110.954 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 75.25 110.919 179.996 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.4 t . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.778 0.323 . . . . 74.44 111.122 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 10.6 tp -60.79 -18.63 17.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 65.12 111.152 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -66.89 -33.43 75.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 74.22 110.968 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.1 pp -89.56 -28.05 19.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 72.34 110.926 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -75.28 -25.41 57.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 75.44 110.918 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.83 -20.66 19.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 72.34 110.846 -179.845 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.41 -21.67 27.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 75.22 111.065 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -82.94 1.12 41.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 73.03 110.888 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.47 -44.57 3.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.467 . . . . 74.43 110.856 -179.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -90.33 16.2 58.12 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.701 -0.761 . . . . 72.54 112.468 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.7 t -144.85 11.48 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.754 0.311 . . . . 75.13 111.1 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -134.11 -75.78 0.47 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 73.52 110.872 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.94 -16.71 59.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 73.34 110.94 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.5 m -107.55 -23.97 11.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 72.21 111.154 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 21.1 t80 -57.21 -43.37 82.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.187 -0.46 . . . . 64.04 110.951 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.118 -0.492 . . . . 73.23 110.919 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.88 0.371 . . . . 74.1 110.887 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 8.8 mmtm -96.86 165.57 12.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 75.13 110.86 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -128.16 -58.43 1.21 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 74.3 110.888 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -71.45 -25.82 62.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 74.4 110.884 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 63.8 t -95.08 -37.88 8.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 71.01 111.173 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -74.94 -6.6 50.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 75.34 111.068 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 1.6 ttp -101.47 -25.22 14.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 75.21 110.862 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 12.8 t -108.14 -7.1 10.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 75.11 111.108 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 6.1 tp -51.43 -29.86 9.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.479 . . . . 75.22 111.135 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 17.4 m95 -57.0 -47.42 80.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 75.24 110.912 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 16.8 mt -75.04 -30.74 61.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.234 -0.439 . . . . 73.22 110.929 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -77.0 -13.1 60.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.466 . . . . 64.12 110.914 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.82 25.32 7.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 72.0 110.832 -179.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -118.74 -31.28 4.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 65.33 111.098 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -82.65 0.79 41.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 75.14 110.832 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.81 -44.28 3.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 73.11 110.843 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -90.2 15.8 58.85 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.777 -0.725 . . . . 74.03 112.515 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.6 t -144.82 11.56 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.793 0.33 . . . . 64.51 111.087 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -134.31 -75.82 0.47 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 75.51 110.875 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.84 -16.68 60.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 72.22 110.903 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.2 m -107.68 -23.94 11.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 73.02 111.158 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 21.0 t80 -57.28 -42.97 82.66 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.228 -0.442 . . . . 72.33 110.938 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -51.6 -55.48 19.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 74.23 110.899 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 7.3 t-80 63.33 38.2 10.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.484 . . . . 64.25 110.845 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -176.9 -65.9 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 73.51 111.134 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 1.4 ttm -80.39 -68.17 0.7 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 74.32 110.881 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -68.6 -23.66 64.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 74.22 110.931 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -51.86 -70.54 0.08 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 64.32 110.926 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.3 mttp -90.1 -31.13 17.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 74.43 110.886 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 64.35 110.846 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 3.3 mmtp . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.82 0.343 . . . . 75.31 110.892 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 9.8 mtmt -102.87 169.57 8.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 74.22 110.858 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 4.7 mtm-85 -131.51 -55.17 1.02 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 75.15 110.873 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -70.0 -43.85 70.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 72.24 110.927 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 3.2 t -95.54 27.3 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.109 -0.496 . . . . 75.13 111.125 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -116.9 -24.39 7.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 62.1 111.056 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.87 -23.26 22.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 74.14 110.858 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 13.1 t -107.44 -6.99 10.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.244 -0.435 . . . . 74.04 111.141 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.0 tt -51.3 -29.95 9.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 75.21 111.128 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 17.0 m95 -56.75 -47.36 80.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 74.34 110.921 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 58.0 mt -75.31 -31.05 60.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.442 . . . . 74.24 110.885 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -77.12 -11.64 59.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 73.24 110.879 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -126.22 25.46 6.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.487 . . . . 70.23 110.84 -179.837 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -118.41 -32.41 4.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 75.43 111.123 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -82.93 1.11 41.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 74.14 110.882 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.25 -44.24 3.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 75.12 110.866 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -90.17 15.64 59.2 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.742 -0.742 . . . . 51.55 112.468 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.6 t -144.9 11.66 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.758 0.313 . . . . 74.23 111.124 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -134.51 -75.75 0.46 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 73.53 110.956 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -75.83 -16.59 60.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 65.22 110.888 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 10.3 m -107.8 -23.98 11.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 73.02 111.13 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -57.24 -42.77 82.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.436 . . . . 74.32 110.913 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -51.62 142.71 13.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.104 -0.498 . . . . 73.41 110.905 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -179.26 -48.81 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 72.25 110.832 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.04 -41.71 0.39 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 73.13 111.176 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.8 -74.54 0.12 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 75.03 110.92 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.7 mp -75.99 -23.44 55.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 74.31 110.867 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -51.84 -74.48 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 73.21 110.896 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.0 ptpt -113.28 33.2 5.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 74.41 110.93 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 70.6 mmtt . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 74.25 110.896 179.919 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 11.8 mtmt . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.837 0.351 . . . . 73.35 110.868 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.3 mmtt -110.45 162.6 14.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.441 . . . . 65.34 110.877 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -125.85 -38.84 2.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 74.3 110.889 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -70.14 -74.6 0.13 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 72.23 110.905 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 14.6 p -65.49 -21.05 28.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 62.03 111.126 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -74.17 -11.74 60.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 74.53 111.123 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -114.1 -15.77 12.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.44 . . . . 73.23 110.874 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 13.2 t -107.08 -7.03 10.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 74.02 111.141 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.2 tt -51.14 -30.41 9.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 74.13 111.176 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 16.3 m95 -56.09 -46.48 79.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.481 . . . . 74.25 110.904 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -76.82 -30.79 56.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.439 . . . . 75.51 110.918 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -78.54 -7.42 57.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.121 -0.49 . . . . 64.03 110.951 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.11 24.09 5.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.103 -0.499 . . . . 73.13 110.892 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -118.62 -30.11 5.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 70.2 111.132 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -85.74 4.81 35.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 74.3 110.846 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 15.7 ptp180 -110.71 -39.88 4.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 74.5 110.882 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -100.88 14.43 58.76 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.705 -0.759 . . . . 64.32 112.515 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.5 t -148.79 28.87 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.766 0.317 . . . . 72.21 111.1 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 17.8 tt0 -148.82 -76.19 0.16 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 73.12 110.908 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -84.77 -10.3 57.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 73.22 110.95 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 94.4 m -112.22 -28.34 7.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 73.53 111.115 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -55.96 -47.64 77.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 71.23 110.897 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -51.24 117.15 2.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 72.43 110.886 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -179.16 -35.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.484 . . . . 73.42 110.862 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.6 m -155.53 -41.29 0.08 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 71.02 111.154 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.96 34.15 2.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 75.12 110.872 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -179.0 -35.07 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 74.33 110.938 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.01 -67.31 0.26 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 74.32 110.89 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 9.4 mttt -104.15 -33.17 8.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 73.02 110.918 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 74.15 110.959 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.818 0.342 . . . . 72.31 110.87 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.19 164.25 11.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.281 -0.418 . . . . 75.0 110.907 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.5 ptt-85 -129.5 -39.4 1.48 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.26 -0.427 . . . . 71.32 110.846 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -70.93 -71.08 0.27 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 74.43 110.889 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 25.9 t -69.92 -23.88 26.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.106 -0.497 . . . . 71.24 111.101 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -75.1 -6.25 48.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 74.0 111.125 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 5.2 mtt -109.47 -19.1 13.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.429 . . . . 72.41 110.886 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 12.5 t -109.1 -11.02 11.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 71.33 111.15 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.9 tp -51.26 -30.15 9.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 65.53 111.111 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 15.7 m95 -55.44 -46.13 76.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 75.21 110.905 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 34.7 mt -76.76 -32.85 58.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 72.15 110.907 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -75.61 -9.48 58.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.237 -0.438 . . . . 74.04 110.947 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.4 t -115.97 -19.83 10.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.101 -0.499 . . . . 75.42 110.825 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -85.84 -20.43 29.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 71.31 111.131 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -86.7 6.09 32.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 74.03 110.858 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.8 tpp180 -111.13 -41.67 4.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 75.1 110.88 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -99.48 14.25 60.87 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.811 -0.709 . . . . 72.35 112.445 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.5 t -148.68 29.19 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.773 0.321 . . . . 74.0 111.136 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 77.9 mm-40 -149.22 -76.34 0.16 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 74.33 110.909 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -84.66 -10.28 57.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.198 -0.456 . . . . 75.41 110.942 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 90.5 m -112.41 -28.01 8.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.476 . . . . 72.55 111.125 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -56.22 -47.53 78.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.462 . . . . 73.54 110.936 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -51.35 168.78 0.06 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.103 -0.499 . . . . 71.21 110.891 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.9 t60 63.27 26.59 15.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 72.13 110.861 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -170.92 -73.59 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.2 -0.455 . . . . 75.01 111.151 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 14.2 mtt -104.2 48.99 0.83 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 73.35 110.86 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -178.0 -35.5 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.258 -0.428 . . . . 74.13 110.947 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -67.59 -57.52 6.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.471 . . . . 74.25 110.874 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.9 mtmp? -74.48 -45.07 48.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 72.25 110.911 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 74.54 110.927 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 10.2 mmtt . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.849 0.357 . . . . 73.53 110.914 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -80.61 160.3 25.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 74.43 110.908 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.71 -58.17 1.92 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 74.25 110.848 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -68.85 -40.2 79.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 74.5 110.911 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 3.2 t -95.57 27.99 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.115 -0.493 . . . . 73.05 111.136 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -116.81 -24.15 7.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 74.24 111.082 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.92 -23.42 22.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 75.42 110.873 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 13.1 t -107.38 -7.11 10.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 75.31 111.135 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.7 tt -51.07 -30.66 9.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 73.53 111.148 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 16.2 m95 -55.73 -46.29 77.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.479 . . . . 72.42 110.905 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 12.9 mt -77.17 -31.09 55.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 75.22 110.923 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -78.34 -6.78 56.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 63.41 110.877 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.28 25.11 5.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 64.15 110.895 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -115.43 -39.41 3.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.087 -0.506 . . . . 74.44 111.085 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -81.86 -0.06 41.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 74.3 110.854 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.5 mtm180 -112.95 -43.59 3.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 75.35 110.873 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -90.1 15.31 59.9 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.743 -0.741 . . . . 73.23 112.433 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.7 t -144.72 11.29 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.778 0.323 . . . . 73.21 111.137 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 -133.11 -75.8 0.49 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 74.51 110.934 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.4 pp -76.46 -16.95 59.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 74.32 110.931 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 10.1 m -106.69 -23.86 12.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 71.41 111.108 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 20.4 t80 -57.46 -44.94 85.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 74.2 110.953 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -52.01 -55.22 21.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.089 -0.505 . . . . 74.34 110.878 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.6 t60 63.86 36.0 10.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 75.52 110.839 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.6 t -178.86 -40.65 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 71.24 111.119 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 2.6 mtt -99.44 -72.94 0.64 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 74.52 110.88 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 51.3 mt -72.46 -19.61 61.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 71.53 110.955 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -51.96 -63.82 1.02 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 74.13 110.915 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.8 mttp -98.33 -16.28 19.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 72.24 110.903 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 22.0 mmmt . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 75.25 110.955 179.903 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 2.8 mttp . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.824 0.345 . . . . 71.5 110.917 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.85 -170.98 3.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 75.42 110.885 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 13.8 mmt-85 -77.07 63.13 2.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 74.32 110.875 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 57.88 24.9 11.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 75.55 110.941 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 61.3 t -112.2 -30.64 2.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.088 -0.506 . . . . 75.14 111.15 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -74.49 -13.92 60.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 74.44 111.064 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -106.67 -17.72 14.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 75.12 110.858 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 13.1 t -107.61 -7.13 10.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 70.53 111.158 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.0 tt -51.35 -30.02 9.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 75.42 111.126 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 16.8 m95 -57.04 -45.11 83.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 74.01 110.9 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 32.9 mt -78.17 -29.8 48.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 72.13 110.923 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -79.36 -8.76 59.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.451 . . . . 74.45 110.93 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.9 t -116.16 -20.54 9.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.076 -0.511 . . . . 62.2 110.833 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -85.35 -21.18 29.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 63.04 111.097 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -82.63 1.37 38.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 75.22 110.882 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.1 ttm180 -111.16 -40.44 4.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 75.22 110.83 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -98.39 18.62 56.75 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.782 -0.723 . . . . 73.02 112.507 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.1 t -150.6 20.75 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.804 0.335 . . . . 73.43 111.137 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -146.3 -76.26 0.2 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 72.14 110.937 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.33 -9.95 59.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 72.04 110.949 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 99.5 m -113.6 -30.2 6.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 74.3 111.178 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -53.58 -40.85 65.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 73.33 110.94 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -54.25 174.08 0.06 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 74.42 110.848 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 63.38 52.67 2.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.102 -0.499 . . . . 64.24 110.865 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -178.31 -73.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 75.04 111.152 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.05 -62.75 1.26 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 73.41 110.886 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.51 -25.97 68.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 62.4 110.882 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -64.55 -72.62 0.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 75.14 110.909 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.79 33.21 1.7 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 74.21 110.884 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 75.43 110.933 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.87 0.366 . . . . 71.2 110.892 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.73 -28.42 30.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 65.03 110.851 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 69.27 -75.46 0.07 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 75.41 110.849 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -67.88 -62.43 1.41 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.18 -0.464 . . . . 73.25 110.924 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 24.5 t -56.61 -34.75 42.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.111 -0.495 . . . . 72.22 111.141 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -74.76 -13.68 60.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 71.1 111.141 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 5.2 ttm -104.66 -19.0 14.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 73.41 110.871 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 12.7 t -107.39 -7.21 10.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.431 . . . . 75.44 111.115 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.6 tt -51.21 -30.29 9.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 73.24 111.169 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 16.4 m95 -56.14 -46.51 79.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 74.13 110.874 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 13.8 mt -76.88 -30.92 56.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.262 -0.426 . . . . 65.13 110.886 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -78.24 -7.69 57.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.2 -0.454 . . . . 62.12 110.965 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.64 25.26 5.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.097 -0.501 . . . . 65.42 110.875 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -116.5 -37.06 3.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.491 . . . . 74.15 111.114 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -82.5 0.65 41.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 73.12 110.891 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -113.35 -44.0 3.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 75.42 110.856 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -89.98 15.27 59.8 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.753 -0.737 . . . . 74.03 112.525 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.6 t -144.85 11.63 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.752 0.311 . . . . 74.51 111.114 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 32.2 tp60 -134.48 -75.85 0.46 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 71.32 110.878 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -75.68 -16.6 60.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 74.33 110.955 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.3 m -107.86 -23.97 11.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 75.23 111.145 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -57.33 -42.6 82.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 73.2 110.949 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.58 142.8 13.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 70.23 110.889 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -179.32 -39.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 64.11 110.861 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -155.17 -41.3 0.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 74.45 111.136 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 3.7 mtm -70.34 -57.11 5.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.434 . . . . 70.54 110.859 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -92.28 -23.05 19.43 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.254 -0.43 . . . . 74.41 110.961 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -51.8 -67.77 0.22 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.489 . . . . 73.32 110.958 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 9.8 pttm -142.42 32.35 1.49 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 74.51 110.893 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.2 mptp? . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 74.54 110.904 179.834 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.86 0.362 . . . . 75.31 110.879 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 9.6 mmtt -108.05 154.19 22.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 74.25 110.896 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 10.4 mtm-85 -110.63 -59.9 1.89 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 73.21 110.854 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -71.19 -43.06 68.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 75.33 110.929 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 4.7 t -96.15 44.46 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.112 -0.494 . . . . 70.24 111.15 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -148.4 -41.91 0.16 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 71.24 111.105 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 6.7 mtt -87.9 -18.18 29.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 70.13 110.892 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 12.5 t -106.56 -6.5 10.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 72.15 111.098 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 8.3 tp -50.98 -32.87 12.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 73.41 111.168 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 14.4 m95 -53.79 -46.74 71.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 74.31 110.937 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.6 mt -76.45 -31.25 57.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.439 . . . . 74.52 110.914 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -79.13 -3.13 43.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.179 -0.464 . . . . 73.24 110.895 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -135.15 31.81 3.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 73.04 110.848 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -125.16 -38.83 2.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 64.34 111.096 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 33.5 p90 -55.52 -32.52 62.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 73.04 110.883 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 8.8 mtm180 -79.57 -34.03 41.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 75.22 110.875 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -99.43 18.93 55.66 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.779 -0.724 . . . . 73.14 112.517 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.5 p -132.07 1.85 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.842 0.353 . . . . 64.32 111.157 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -123.43 -75.8 0.6 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 71.52 110.933 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.43 -18.19 60.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 71.54 110.937 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -104.68 -29.07 10.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 71.33 111.165 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -52.09 -42.4 63.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.232 -0.44 . . . . 74.03 110.975 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.58 -171.66 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.102 -0.499 . . . . 72.13 110.9 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 33.7 t60 64.4 45.66 3.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 71.24 110.859 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.2 t 178.98 -41.93 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.184 -0.462 . . . . 75.51 111.169 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -116.62 -68.18 0.94 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 72.51 110.905 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.12 -25.84 67.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.43 . . . . 63.34 110.916 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 35.5 tp60 -62.28 -74.51 0.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 74.34 110.896 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.3 pttt -95.9 32.97 1.76 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 71.1 110.923 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.6 mptt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 74.01 110.884 179.864 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 18.7 mmtp . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.876 0.369 . . . . 75.11 110.888 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 10.8 mmpt? -64.63 -32.47 74.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 75.43 110.88 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 69.29 -75.43 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 74.34 110.811 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -68.72 -42.17 78.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 71.03 110.952 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 3.4 t -95.19 34.14 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.105 -0.498 . . . . 73.14 111.124 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -132.47 -39.72 1.01 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 73.25 111.14 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.86 -24.52 22.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.438 . . . . 72.31 110.92 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 13.0 t -107.71 -7.2 10.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 74.24 111.077 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.6 tt -51.34 -30.16 10.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 75.53 111.118 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 16.5 m95 -56.77 -45.54 82.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.452 . . . . 72.3 110.91 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.2 mt -77.67 -30.12 51.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 75.24 110.934 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -78.88 -9.0 59.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.47 . . . . 73.24 110.937 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.3 t -116.16 -19.63 10.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.105 -0.498 . . . . 73.3 110.865 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.13 -20.83 28.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 74.31 111.079 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -86.76 5.86 34.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 71.44 110.864 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 3.2 ttm180 -117.13 -45.7 2.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 74.01 110.872 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -90.31 16.04 58.46 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.722 -0.752 . . . . 73.13 112.459 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.6 t -144.67 11.5 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.791 0.329 . . . . 73.12 111.097 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.9 tp60 -134.3 -75.74 0.47 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 75.35 110.917 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.77 -16.72 60.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.215 -0.448 . . . . 74.11 110.904 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.3 m -107.68 -24.01 11.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 72.55 111.181 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 23.0 t80 -57.25 -42.75 82.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 74.35 110.864 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.63 142.36 14.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 70.43 110.873 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -179.25 -49.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 75.4 110.866 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -140.45 -41.72 0.41 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 71.54 111.156 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.07 -74.46 0.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 75.51 110.869 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.9 mp -74.7 -24.37 58.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 71.25 110.88 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -51.87 -74.34 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.431 . . . . 73.31 110.933 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 26.7 mtpt -110.26 31.39 5.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 75.13 110.886 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.1 mmmm . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 72.15 110.896 179.835 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.847 0.356 . . . . 75.35 110.866 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 4.7 mmpt? -113.55 150.85 32.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 75.23 110.883 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -108.89 -61.14 1.65 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 75.13 110.891 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -71.39 -34.14 70.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.228 -0.442 . . . . 74.42 110.905 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.9 t -78.82 -42.43 24.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 74.42 111.093 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -74.23 -7.62 53.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 74.43 111.062 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.92 -30.34 17.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 75.02 110.874 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 12.6 t -109.41 -7.19 11.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 73.33 111.139 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.3 tt -51.31 -30.19 9.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 73.54 111.134 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 16.5 m95 -56.29 -46.41 79.77 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.171 -0.468 . . . . 63.5 110.87 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 34.9 mt -76.93 -30.83 56.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 71.23 110.951 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -78.27 -7.98 57.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 72.53 110.96 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.27 25.22 5.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.096 -0.502 . . . . 73.02 110.855 -179.846 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -115.75 -38.52 3.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 73.14 111.096 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -81.68 -0.24 41.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 74.03 110.883 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.9 ttm180 -113.28 -43.18 3.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 73.05 110.892 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -90.29 15.86 58.86 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.765 -0.731 . . . . 52.23 112.457 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.407 ' HA ' ' HB2' ' A' ' 22' ' ' TYR . 3.8 t -145.0 10.3 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.853 0.359 . . . . 75.43 111.169 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 24.2 mm-40 -135.77 -76.12 0.44 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 74.51 110.948 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.4 mt -72.84 -17.75 61.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 75.55 110.917 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 17.0 m -107.96 -23.8 11.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 60.2 111.156 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.407 ' HB2' ' HA ' ' A' ' 18' ' ' VAL . 22.5 t80 -60.7 -32.05 71.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 75.04 110.928 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -50.27 139.72 14.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.131 -0.486 . . . . 73.54 110.876 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -174.46 -39.83 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.491 . . . . 63.11 110.863 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -139.81 -49.18 0.47 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 65.15 111.183 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 20.3 mmt -82.78 -71.91 0.47 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 73.44 110.85 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.06 -26.47 67.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 74.34 110.941 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.12 -59.24 5.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 74.54 110.873 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.7 mttm -81.21 -31.78 33.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 74.44 110.899 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 73.32 110.913 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 1.4 mppt? . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.875 0.369 . . . . 74.02 110.922 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 6.6 mttt -97.78 165.41 11.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 75.35 110.909 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.82 -53.53 1.06 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.22 -0.445 . . . . 75.24 110.872 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -68.93 -48.0 64.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 75.21 110.92 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 3.1 t -95.39 26.29 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.487 . . . . 73.32 111.131 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -116.83 -24.26 7.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 71.3 111.148 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 3.2 mtt -88.88 -23.27 22.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 73.22 110.904 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 13.1 t -107.46 -6.97 10.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 74.33 111.082 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -51.39 -29.9 9.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 75.51 111.138 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 17.4 m95 -56.93 -47.56 80.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 72.31 110.936 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.3 mp -74.89 -30.84 61.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 74.31 110.895 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -76.97 -12.98 60.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 72.11 110.872 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.98 25.41 7.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 61.44 110.894 -179.845 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -119.03 -30.98 4.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.108 -0.496 . . . . 75.22 111.085 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -82.49 0.53 42.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 75.12 110.859 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 9.5 mtm180 -113.28 -43.75 3.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 75.05 110.887 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -90.33 16.26 57.95 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.72 -0.752 . . . . 73.22 112.493 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.411 ' HA ' ' HB2' ' A' ' 22' ' ' TYR . 3.8 t -145.02 10.41 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.827 0.346 . . . . 72.42 111.169 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 19.7 mm-40 -135.9 -76.13 0.44 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 74.02 110.866 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.6 tp -72.89 -17.73 61.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.267 -0.424 . . . . 72.53 110.905 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.4 m -107.94 -23.75 11.9 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.188 -0.46 . . . . 75.35 111.186 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.411 ' HB2' ' HA ' ' A' ' 18' ' ' VAL . 24.1 t80 -60.68 -32.13 71.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 75.54 110.965 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -50.22 143.57 8.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.097 -0.502 . . . . 72.31 110.908 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -176.4 -37.8 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.164 -0.471 . . . . 73.44 110.893 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.6 t -155.36 -41.74 0.08 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 75.03 111.107 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 2.1 ttt -79.82 -33.56 40.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 74.43 110.899 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.4 tp -110.79 -26.97 9.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 75.31 110.895 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -53.26 -69.3 0.12 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 64.25 110.957 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.58 -27.02 13.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 65.23 110.899 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.5 mtpt . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.429 . . . . 70.3 110.871 179.809 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.786 0.327 . . . . 75.22 110.856 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 9.5 mmpt? -95.58 169.1 10.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.249 -0.432 . . . . 72.52 110.932 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 6.5 ttm-85 -123.91 -54.77 1.72 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.267 -0.424 . . . . 72.11 110.828 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -68.12 -70.25 0.27 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 72.11 110.944 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 20.7 m -56.96 -28.83 29.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.097 -0.501 . . . . 54.13 111.129 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -76.01 -18.21 59.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 63.41 111.098 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 25.0 ttm -89.32 -10.95 44.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 72.45 110.879 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.8 t -116.72 -21.79 4.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.256 -0.429 . . . . 71.14 111.167 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 10.0 tp -58.02 -26.88 30.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 73.41 111.093 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 16.8 m95 -57.47 -45.37 84.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.185 -0.461 . . . . 74.34 110.889 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -75.69 -29.18 58.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 73.13 110.952 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -75.72 -18.92 59.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 75.14 110.94 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.37 -18.78 13.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.094 -0.503 . . . . 45.15 110.85 -179.84 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.99 -20.73 30.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.494 . . . . 54.42 111.119 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -81.94 0.72 38.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 72.32 110.899 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.14 -40.71 4.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 75.43 110.886 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -97.7 19.17 55.68 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.729 -0.748 . . . . 62.34 112.429 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.2 t -150.78 19.36 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.767 0.318 . . . . 74.24 111.089 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 22.2 mm100 -145.84 -76.08 0.21 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 73.12 110.887 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.4 pp -77.61 -9.85 59.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 74.32 110.921 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 99.8 m -113.82 -31.66 6.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 73.04 111.142 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -52.63 -38.5 60.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 73.43 110.9 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -60.32 -169.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 71.24 110.924 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 64.44 17.25 10.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 74.22 110.839 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 10.2 t -176.31 32.04 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 74.5 111.128 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 179.3 -57.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 73.04 110.88 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -90.46 -30.65 17.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 72.13 110.912 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.37 -70.05 0.19 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 73.34 110.906 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 19.6 mttm -140.19 29.53 2.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 75.4 110.915 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.5 mmtt . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 75.31 110.901 179.893 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.877 0.37 . . . . 73.34 110.917 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.62 -38.23 73.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 73.31 110.846 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 69.24 -75.41 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 74.11 110.844 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -62.78 -44.38 96.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 75.32 110.921 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 3.2 t -95.52 27.12 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.082 -0.508 . . . . 75.4 111.107 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -116.75 -24.12 7.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 65.1 111.099 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.97 -23.31 22.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 71.52 110.879 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 12.9 t -107.31 -7.05 10.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 74.43 111.155 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 9.8 tp -51.18 -30.44 9.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 72.13 111.119 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 16.2 m95 -55.93 -46.65 78.41 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.176 -0.465 . . . . 75.41 110.856 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 12.6 mt -76.72 -31.16 56.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.267 -0.424 . . . . 73.33 110.876 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -78.18 -7.16 56.74 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.206 -0.452 . . . . 64.05 110.867 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.22 25.49 5.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 74.34 110.854 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -116.94 -36.81 3.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.49 . . . . 71.51 111.132 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -82.34 0.44 41.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 75.12 110.888 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -113.54 -43.65 3.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 72.42 110.886 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -90.21 15.72 59.05 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.748 -0.739 . . . . 63.22 112.43 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.404 ' HA ' ' HB2' ' A' ' 22' ' ' TYR . 3.8 t -144.66 10.53 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.773 0.321 . . . . 72.42 111.081 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 70.8 mm-40 -131.91 -76.12 0.51 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 73.41 110.927 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -76.22 -17.74 59.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 72.14 110.887 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.5 m -105.3 -24.23 12.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 71.45 111.18 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.404 ' HB2' ' HA ' ' A' ' 18' ' ' VAL . 20.6 t80 -58.14 -44.05 87.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.452 . . . . 72.22 110.924 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -56.31 133.84 53.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 75.03 110.87 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -179.11 -40.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 73.4 110.872 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.4 t -152.83 -41.83 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 75.32 111.14 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 3.1 mmt -74.62 -34.08 62.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 73.12 110.871 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 19.5 tp -114.76 -26.0 8.02 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.265 -0.425 . . . . 75.12 110.9 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 39.7 tt0 -52.14 -73.6 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 72.0 110.89 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.72 34.75 5.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 75.14 110.872 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 74.04 110.904 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 3.2 pttt . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.816 0.341 . . . . 73.01 110.922 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 26.1 mtpt -103.51 141.47 35.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 73.24 110.895 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 90.1 mtt180 -82.9 -64.39 1.18 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 74.32 110.889 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -91.17 148.08 22.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 75.41 110.958 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 4.1 t 65.89 11.8 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 74.34 111.137 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -119.35 -21.99 7.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.483 . . . . 73.51 111.126 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.72 -23.67 25.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 72.42 110.857 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 12.9 t -107.52 -7.07 10.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 72.33 111.148 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 15.6 tt -51.21 -30.26 9.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 72.33 111.096 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 16.4 m95 -56.32 -46.66 79.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 71.34 110.906 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 94.4 mt -76.57 -30.71 57.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 63.44 110.936 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -78.49 -8.01 58.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 73.11 110.912 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.59 24.61 5.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.486 . . . . 64.23 110.836 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -118.96 -30.71 4.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 71.31 111.093 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -83.17 1.34 41.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 73.14 110.866 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 15.0 ptp180 -113.85 -44.02 3.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 74.42 110.848 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -90.32 16.13 58.25 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.738 -0.744 . . . . 61.22 112.523 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.7 t -144.6 10.39 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.719 0.295 . . . . 75.41 111.115 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -131.73 -76.12 0.51 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 75.32 110.936 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -76.32 -17.7 59.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.173 -0.467 . . . . 74.51 110.923 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.5 m -105.28 -24.11 12.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.456 . . . . 72.01 111.149 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 21.3 t80 -58.24 -44.27 88.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 74.54 110.885 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -55.9 138.28 48.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 70.34 110.876 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -178.92 -51.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 74.34 110.849 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.2 t -135.53 -41.77 0.7 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 75.43 111.18 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 1.7 mtt -72.75 -73.51 0.2 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 74.22 110.91 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.6 tp -71.17 -25.9 62.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 74.11 110.92 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -52.08 -74.44 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 74.42 110.888 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.9 ptmt -107.74 33.54 4.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 74.42 110.872 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.4 mptt . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 73.54 110.88 179.843 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 1.9 mptt . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.854 0.359 . . . . 73.2 110.881 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.1 mtpp 63.18 16.48 9.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 72.14 110.885 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.3 ptt180 -67.37 87.64 0.19 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 74.45 110.904 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 62.13 16.59 8.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 75.45 110.927 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 15.3 m -117.18 -9.79 12.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 71.52 111.143 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -74.44 -17.17 60.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.475 . . . . 70.2 111.126 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -105.99 -9.22 17.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 70.32 110.887 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.1 t -111.81 -18.62 7.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.269 -0.423 . . . . 71.54 111.139 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.0 tt -52.82 -28.48 13.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 74.01 111.151 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 16.8 m95 -56.31 -46.88 79.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.472 . . . . 75.24 110.902 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 9.1 mt -74.4 -32.84 62.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 74.25 110.919 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -73.87 -16.96 61.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 73.11 110.941 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.82 24.51 10.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.086 -0.506 . . . . 73.32 110.828 -179.816 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -118.28 -29.45 5.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 74.13 111.073 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -85.53 4.63 35.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.255 -0.429 . . . . 75.1 110.912 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.68 -39.59 4.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 74.04 110.896 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -101.12 14.53 58.4 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.717 -0.754 . . . . 64.13 112.471 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.5 t -148.88 28.78 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.801 0.334 . . . . 60.11 111.153 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -148.78 -76.18 0.16 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 74.33 110.885 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -84.75 -10.22 57.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 74.04 110.934 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 94.9 m -112.31 -28.35 7.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 71.25 111.107 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -55.97 -47.68 77.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.22 -0.445 . . . . 72.13 110.907 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -51.3 162.02 0.38 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 63.43 110.853 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 63.31 23.12 13.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 73.51 110.865 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.4 m -161.65 -68.17 0.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 74.34 111.177 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 7.7 mmt -111.66 29.07 8.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 70.2 110.885 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -150.02 -42.27 0.13 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 73.4 110.914 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 41.9 tp60 -65.31 -61.22 2.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 75.11 110.912 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 7.2 mtpp -118.6 60.16 0.8 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 74.4 110.918 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.1 mtpt . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 73.41 110.877 179.873 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 6.0 mmpt? . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.867 0.365 . . . . 74.12 110.877 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 6.8 mtmm 63.18 16.49 9.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 75.43 110.881 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.44 87.68 0.2 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 71.42 110.866 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 62.06 16.66 8.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.157 -0.474 . . . . 64.22 110.939 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 15.0 m -117.19 -9.74 12.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.497 . . . . 74.34 111.121 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -74.51 -17.21 60.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 75.11 111.08 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -105.94 -9.2 17.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 64.04 110.905 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.3 t -111.79 -18.59 7.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 74.13 111.126 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 11.2 tt -52.8 -28.52 13.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 72.22 111.155 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 16.7 m95 -56.44 -46.77 80.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.471 . . . . 74.03 110.884 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -74.42 -32.77 62.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 73.1 110.931 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -73.91 -17.15 61.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.23 -0.441 . . . . 74.44 110.936 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.65 24.67 10.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.483 . . . . 75.02 110.901 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -118.35 -29.61 5.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.09 -0.505 . . . . 71.32 111.066 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -84.06 2.74 37.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 74.5 110.904 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 12.6 ptp180 -110.03 -37.33 5.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 74.41 110.861 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -103.1 15.81 54.51 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.731 -0.747 . . . . 74.33 112.506 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.5 t -149.84 27.6 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.814 0.34 . . . . 74.35 111.15 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 48.2 tp60 -146.29 -76.52 0.19 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 73.14 110.903 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -85.66 -10.73 55.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 72.35 110.931 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 98.0 m -110.47 -27.57 8.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.175 -0.466 . . . . 74.43 111.172 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -58.02 -49.39 77.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.182 -0.463 . . . . 75.34 110.895 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -51.77 118.39 3.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.107 -0.497 . . . . 75.1 110.891 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -177.43 -41.08 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.121 -0.49 . . . . 74.33 110.855 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.6 p -139.4 -45.5 0.45 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 72.22 111.094 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -81.09 -63.37 1.42 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 73.34 110.881 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.71 -26.0 61.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.275 -0.42 . . . . 71.35 110.965 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 48.7 tp60 -52.59 -71.94 0.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 70.44 110.886 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 20.3 mtmt -106.67 30.19 6.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 73.34 110.855 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 13.2 mmtt . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.28 -0.418 . . . . 73.41 110.915 179.873 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 8.8 mttp . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.869 0.366 . . . . 74.23 110.902 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 7.7 mmpt? 63.27 16.27 9.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 75.12 110.897 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 5.2 mtt180 -67.18 88.14 0.17 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 75.32 110.874 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 62.02 16.97 8.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.463 . . . . 74.33 110.912 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 10.8 p -117.86 -9.46 11.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.485 . . . . 62.52 111.098 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -74.31 -19.45 60.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.467 . . . . 53.14 111.116 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -97.33 -14.88 21.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 74.21 110.869 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.2 p -107.85 -16.84 8.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 74.23 111.087 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 13.7 tt -65.14 -27.19 41.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 71.52 111.096 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 15.7 m95 -55.05 -42.49 72.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.201 -0.454 . . . . 64.44 110.93 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.9 mt -79.78 -33.95 40.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.262 -0.426 . . . . 73.32 110.883 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -76.86 -5.11 47.06 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.203 -0.453 . . . . 75.31 110.951 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -131.8 25.06 4.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.077 -0.511 . . . . 73.24 110.876 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -119.88 -31.94 4.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 75.42 111.111 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -85.3 4.38 35.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 74.44 110.906 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.3 mmt180 -110.66 -39.3 4.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.101 -0.5 . . . . 75.11 110.841 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -101.27 14.5 58.21 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.758 -0.734 . . . . 72.23 112.507 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.5 t -148.86 28.66 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.812 0.339 . . . . 72.03 111.16 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -148.58 -76.14 0.17 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 73.44 110.903 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -84.91 -10.26 57.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 75.24 110.919 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 95.5 m -112.16 -28.32 8.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 75.33 111.139 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -56.01 -47.82 77.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 74.4 110.924 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -51.27 126.63 17.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 73.32 110.851 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -178.0 -43.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 75.03 110.905 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 11.2 m -143.76 -42.46 0.28 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 72.15 111.145 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 4.7 ttm -77.91 -69.66 0.53 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 72.22 110.91 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.6 mp -70.66 -26.03 63.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 74.44 110.877 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -52.02 -58.09 7.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 72.54 110.923 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 12.2 ptmt -117.79 26.33 9.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 73.2 110.898 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 9.1 mptt . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 71.52 110.899 179.875 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 8.9 ptpt . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.869 0.366 . . . . 72.32 110.869 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.07 162.03 14.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 75.42 110.845 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.77 -57.44 1.72 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 71.41 110.868 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -68.46 -43.02 77.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.231 -0.441 . . . . 74.25 110.907 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 3.2 t -95.59 27.49 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.076 -0.511 . . . . 74.33 111.106 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -116.92 -24.39 7.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 74.25 111.078 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -88.91 -23.22 22.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.442 . . . . 73.14 110.885 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 12.9 t -107.42 -7.0 10.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 65.23 111.178 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.5 tt -51.34 -29.99 9.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.478 . . . . 74.54 111.13 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 17.2 m95 -56.62 -48.0 78.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 65.42 110.913 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -74.44 -31.5 62.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 74.42 110.958 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -76.16 -13.21 60.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 74.22 110.936 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.68 24.45 7.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 73.01 110.852 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -118.38 -29.44 5.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 75.42 111.097 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -81.04 -0.35 39.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 74.5 110.928 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -110.89 -39.31 4.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.106 -0.497 . . . . 74.04 110.868 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -98.71 19.32 54.83 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.741 -0.742 . . . . 64.24 112.48 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.3 t -150.87 18.89 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.805 0.336 . . . . 71.31 111.174 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 49.1 tp60 -145.07 -75.96 0.22 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 71.33 110.908 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -77.51 -10.76 59.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 72.42 110.896 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 88.5 m -112.34 -32.84 6.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 74.42 111.15 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -51.9 -38.14 55.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 72.45 110.94 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -66.74 -169.38 0.08 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.124 -0.489 . . . . 72.41 110.877 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER 69.15 9.35 7.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 75.35 110.828 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 10.5 t -176.4 28.05 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 75.42 111.144 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 178.34 29.17 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 72.42 110.883 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.1 tp 173.62 -36.36 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 75.52 110.906 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 37.2 tp60 -57.77 -63.91 1.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 74.13 110.885 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.3 ptmt -130.44 27.95 4.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.192 -0.458 . . . . 74.05 110.909 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.1 mptt . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 75.32 110.902 179.869 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 7.7 pttp . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.872 0.368 . . . . 74.55 110.91 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.2 mtpp -120.04 172.54 7.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 73.33 110.966 179.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.68 -58.76 0.52 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.282 -0.417 . . . . 73.42 110.898 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -60.9 -23.99 65.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.444 . . . . 73.24 110.882 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 40.1 t -109.59 -32.76 2.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.49 . . . . 73.23 111.123 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -74.05 -14.78 61.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 75.42 111.095 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 10.0 mtt -103.17 -18.45 14.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 64.33 110.932 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 10.8 t -108.44 -4.74 10.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.191 -0.459 . . . . 64.23 111.129 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.5 tt -56.12 -23.46 15.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 64.44 111.138 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -69.16 -32.99 72.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 73.13 110.946 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.3 mt -90.3 -20.14 23.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.471 . . . . 75.12 110.912 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -87.83 -25.63 23.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.474 . . . . 71.43 110.912 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -95.71 -17.16 21.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 75.33 110.847 -179.853 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -91.79 -22.84 19.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 54.45 111.11 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -84.09 2.55 38.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 74.15 110.897 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 11.3 ptp180 -110.18 -37.25 5.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 74.23 110.892 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -102.86 16.2 54.69 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.746 -0.74 . . . . 54.15 112.489 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.5 t -150.1 26.83 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.76 0.314 . . . . 71.42 111.104 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 26.2 mm100 -145.51 -76.51 0.21 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.491 . . . . 72.15 110.918 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.5 mt -85.75 -10.37 55.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 71.22 110.917 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 98.5 m -110.48 -28.0 8.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 71.24 111.132 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -57.74 -49.68 75.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 74.03 110.954 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -51.67 114.76 1.36 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 75.25 110.919 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -177.46 -40.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 74.55 110.871 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -139.38 -45.12 0.45 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.183 -0.462 . . . . 72.44 111.144 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -82.03 -70.49 0.54 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 75.21 110.912 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.72 -26.06 67.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 72.23 110.921 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -52.86 -72.26 0.06 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 74.02 110.936 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.0 ptpp? -101.68 26.38 7.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 74.45 110.892 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 25.7 mmtt . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.266 -0.425 . . . . 70.01 110.931 179.882 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.851 0.358 . . . . 75.43 110.9 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -104.5 152.23 22.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.442 . . . . 75.14 110.887 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 86.8 mtm180 -109.95 -60.43 1.79 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 74.11 110.892 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -70.4 -61.61 1.71 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 73.4 110.894 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 86.2 t -56.14 -29.95 28.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 75.31 111.105 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -74.88 -21.84 59.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 73.21 111.083 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 1.5 ttt -89.98 -7.33 54.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.28 -0.418 . . . . 74.5 110.855 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.4 t -117.01 -20.96 5.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 74.44 111.122 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 10.6 tp -60.79 -18.63 17.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 65.12 111.152 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -66.89 -33.43 75.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 74.22 110.968 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.1 pp -89.56 -28.05 19.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 72.34 110.926 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -75.28 -25.41 57.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 75.44 110.918 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.83 -20.66 19.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 72.34 110.846 -179.845 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.41 -21.67 27.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 75.22 111.065 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -82.94 1.12 41.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 73.03 110.888 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.47 -44.57 3.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.467 . . . . 74.43 110.856 -179.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -90.33 16.2 58.12 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.701 -0.761 . . . . 72.54 112.468 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.7 t -144.85 11.48 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.754 0.311 . . . . 75.13 111.1 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -134.11 -75.78 0.47 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 73.52 110.872 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.94 -16.71 59.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 73.34 110.94 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.5 m -107.55 -23.97 11.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 72.21 111.154 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 21.1 t80 -57.21 -43.37 82.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.187 -0.46 . . . . 64.04 110.951 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.5 140.9 16.98 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.118 -0.492 . . . . 73.23 110.919 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -179.18 -47.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 70.34 110.836 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -142.9 -42.08 0.31 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 73.41 111.124 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.94 -69.99 0.29 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 74.04 110.865 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 46.4 tp -80.26 -22.18 41.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.233 -0.439 . . . . 74.41 110.905 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -51.97 -44.84 64.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.183 -0.462 . . . . 72.15 110.945 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.1 mttm -116.35 -25.65 7.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 74.54 110.915 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.9 mptt . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 75.2 110.884 179.864 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.414 HG12 ' O ' ' A' ' 8' ' ' VAL . 12.8 t . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.831 0.348 . . . . 74.31 111.108 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 6.1 tp -51.43 -29.86 9.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.479 . . . . 62.23 111.135 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 17.4 m95 -57.0 -47.42 80.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 72.32 110.912 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 16.8 mt -75.04 -30.74 61.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.234 -0.439 . . . . 73.22 110.929 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -77.0 -13.1 60.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.466 . . . . 64.12 110.914 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.82 25.32 7.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 72.0 110.832 -179.844 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -118.74 -31.28 4.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 51.43 111.098 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -82.65 0.79 41.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 75.14 110.832 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.81 -44.28 3.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 73.11 110.843 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -90.2 15.8 58.85 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.777 -0.725 . . . . 71.33 112.515 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.442 ' O ' HG12 ' A' ' 18' ' ' VAL . 3.6 t -144.82 11.56 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.793 0.33 . . . . 63.1 111.087 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -134.31 -75.82 0.47 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 74.04 110.875 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.84 -16.68 60.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 72.22 110.903 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.2 m -107.68 -23.94 11.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 73.02 111.158 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.406 ' HB2' ' HA ' ' A' ' 18' ' ' VAL . 21.0 t80 -57.28 -42.97 82.66 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.228 -0.442 . . . . 71.03 110.938 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 74.23 110.899 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.409 HG12 ' O ' ' A' ' 8' ' ' VAL . 13.1 t . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.85 0.357 . . . . 70.32 111.141 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.0 tt -51.3 -29.95 9.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 75.21 111.128 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 17.0 m95 -56.75 -47.36 80.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 71.52 110.921 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 58.0 mt -75.31 -31.05 60.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.442 . . . . 72.43 110.885 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -77.12 -11.64 59.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 73.24 110.879 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -126.22 25.46 6.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.487 . . . . 70.23 110.84 -179.837 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -118.41 -32.41 4.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 75.43 111.123 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -82.93 1.11 41.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 74.14 110.882 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.25 -44.24 3.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 75.12 110.866 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -90.17 15.64 59.2 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.742 -0.742 . . . . 42.21 112.468 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.449 ' O ' HG12 ' A' ' 18' ' ' VAL . 3.6 t -144.9 11.66 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.758 0.313 . . . . 73.04 111.124 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -134.51 -75.75 0.46 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 55.12 110.956 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -75.83 -16.59 60.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 44.22 110.888 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 10.3 m -107.8 -23.98 11.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 64.15 111.13 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.406 ' HB2' ' HA ' ' A' ' 18' ' ' VAL . 11.9 t80 -57.24 -42.77 82.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.436 . . . . 74.31 110.913 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.104 -0.498 . . . . 72.35 110.905 -179.992 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.411 HG12 ' O ' ' A' ' 8' ' ' VAL . 13.2 t . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.788 0.328 . . . . 74.02 111.141 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.2 tt -51.14 -30.41 9.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 74.13 111.176 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 16.3 m95 -56.09 -46.48 79.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.481 . . . . 73.43 110.904 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -76.82 -30.79 56.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.439 . . . . 75.51 110.918 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -78.54 -7.42 57.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.121 -0.49 . . . . 64.03 110.951 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.11 24.09 5.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.103 -0.499 . . . . 64.24 110.892 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -118.62 -30.11 5.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 70.2 111.132 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -85.74 4.81 35.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 53.11 110.846 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 15.7 ptp180 -110.71 -39.88 4.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 72.25 110.882 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -100.88 14.43 58.76 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.705 -0.759 . . . . 64.32 112.515 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.437 ' O ' HG12 ' A' ' 18' ' ' VAL . 3.5 t -148.79 28.87 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.766 0.317 . . . . 64.24 111.1 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 17.8 tt0 -148.82 -76.19 0.16 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 73.12 110.908 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -84.77 -10.3 57.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 73.22 110.95 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 94.4 m -112.22 -28.34 7.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 73.53 111.115 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -55.96 -47.64 77.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 71.23 110.897 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 72.43 110.886 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 12.5 t . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.83 0.348 . . . . 71.33 111.15 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.9 tp -51.26 -30.15 9.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 65.53 111.111 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 15.7 m95 -55.44 -46.13 76.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 74.5 110.905 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 34.7 mt -76.76 -32.85 58.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 62.2 110.907 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -75.61 -9.48 58.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.237 -0.438 . . . . 74.04 110.947 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.4 t -115.97 -19.83 10.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.101 -0.499 . . . . 70.32 110.825 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -85.84 -20.43 29.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 40.25 111.131 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -86.7 6.09 32.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 73.25 110.858 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.8 tpp180 -111.13 -41.67 4.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 62.23 110.88 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -99.48 14.25 60.87 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.811 -0.709 . . . . 64.55 112.445 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.439 ' O ' HG12 ' A' ' 18' ' ' VAL . 3.5 t -148.68 29.19 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.773 0.321 . . . . 74.0 111.136 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 77.9 mm-40 -149.22 -76.34 0.16 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 74.13 110.909 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -84.66 -10.28 57.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.198 -0.456 . . . . 75.41 110.942 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 90.5 m -112.41 -28.01 8.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.476 . . . . 72.55 111.125 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -56.22 -47.53 78.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.462 . . . . 72.34 110.936 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.103 -0.499 . . . . 65.12 110.891 -179.966 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.412 HG12 ' O ' ' A' ' 8' ' ' VAL . 13.1 t . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.836 0.35 . . . . 72.51 111.135 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.7 tt -51.07 -30.66 9.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 64.53 111.148 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 16.2 m95 -55.73 -46.29 77.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.479 . . . . 72.42 110.905 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 12.9 mt -77.17 -31.09 55.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 71.33 110.923 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -78.34 -6.78 56.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 63.41 110.877 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.28 25.11 5.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 64.15 110.895 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -115.43 -39.41 3.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.087 -0.506 . . . . 74.44 111.085 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -81.86 -0.06 41.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 71.3 110.854 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.5 mtm180 -112.95 -43.59 3.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 75.35 110.873 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -90.1 15.31 59.9 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.743 -0.741 . . . . 65.44 112.433 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.454 ' O ' HG12 ' A' ' 18' ' ' VAL . 3.7 t -144.72 11.29 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.778 0.323 . . . . 70.11 111.137 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 -133.11 -75.8 0.49 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 63.23 110.934 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.4 pp -76.46 -16.95 59.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 73.51 110.931 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 10.1 m -106.69 -23.86 12.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 65.12 111.108 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.404 ' HB2' ' HA ' ' A' ' 18' ' ' VAL . 20.4 t80 -57.46 -44.94 85.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 63.24 110.953 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.089 -0.505 . . . . 74.34 110.878 -179.968 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.411 HG12 ' O ' ' A' ' 8' ' ' VAL . 13.1 t . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.843 0.354 . . . . 55.44 111.158 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.0 tt -51.35 -30.02 9.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 54.12 111.126 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 16.8 m95 -57.04 -45.11 83.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 72.14 110.9 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 32.9 mt -78.17 -29.8 48.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 60.45 110.923 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -79.36 -8.76 59.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.451 . . . . 74.45 110.93 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.9 t -116.16 -20.54 9.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.076 -0.511 . . . . 44.34 110.833 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -85.35 -21.18 29.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 55.31 111.097 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -82.63 1.37 38.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 75.22 110.882 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.1 ttm180 -111.16 -40.44 4.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 74.23 110.83 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -98.39 18.62 56.75 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.782 -0.723 . . . . 73.02 112.507 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.429 ' O ' HG12 ' A' ' 18' ' ' VAL . 3.1 t -150.6 20.75 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.804 0.335 . . . . 73.43 111.137 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -146.3 -76.26 0.2 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 72.14 110.937 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.33 -9.95 59.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 64.53 110.949 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 99.5 m -113.6 -30.2 6.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 72.23 111.178 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -53.58 -40.85 65.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 73.33 110.94 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 51.44 110.848 179.992 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.415 HG12 ' O ' ' A' ' 8' ' ' VAL . 12.7 t . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.83 0.348 . . . . 75.44 111.115 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.6 tt -51.21 -30.29 9.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 73.24 111.169 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 16.4 m95 -56.14 -46.51 79.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 74.13 110.874 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 13.8 mt -76.88 -30.92 56.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.262 -0.426 . . . . 65.13 110.886 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -78.24 -7.69 57.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.2 -0.454 . . . . 62.12 110.965 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.64 25.26 5.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.097 -0.501 . . . . 65.42 110.875 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -116.5 -37.06 3.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.491 . . . . 74.15 111.114 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -82.5 0.65 41.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 53.33 110.891 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -113.35 -44.0 3.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 73.14 110.856 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -89.98 15.27 59.8 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.753 -0.737 . . . . 74.03 112.525 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.456 ' O ' HG12 ' A' ' 18' ' ' VAL . 3.6 t -144.85 11.63 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.752 0.311 . . . . 74.51 111.114 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 32.2 tp60 -134.48 -75.85 0.46 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 63.1 110.878 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -75.68 -16.6 60.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 74.33 110.955 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.3 m -107.86 -23.97 11.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 63.51 111.145 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.405 ' HB2' ' HA ' ' A' ' 18' ' ' VAL . 19.5 t80 -57.33 -42.6 82.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 73.01 110.949 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 30.04 110.889 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.418 HG12 ' O ' ' A' ' 8' ' ' VAL . 12.5 t . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.753 0.311 . . . . 53.2 111.098 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 8.3 tp -50.98 -32.87 12.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 71.35 111.168 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 14.4 m95 -53.79 -46.74 71.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 74.31 110.937 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.6 mt -76.45 -31.25 57.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.439 . . . . 74.23 110.914 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -79.13 -3.13 43.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.179 -0.464 . . . . 61.23 110.895 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -135.15 31.81 3.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 72.51 110.848 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -125.16 -38.83 2.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 64.34 111.096 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.506 ' HA ' HG12 ' A' ' 18' ' ' VAL . 33.5 p90 -55.52 -32.52 62.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 64.14 110.883 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 8.8 mtm180 -79.57 -34.03 41.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 74.11 110.875 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -99.43 18.93 55.66 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.779 -0.724 . . . . 71.11 112.517 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.506 HG12 ' HA ' ' A' ' 15' ' ' PHE . 3.5 p -132.07 1.85 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.842 0.353 . . . . 64.32 111.157 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -123.43 -75.8 0.6 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 71.52 110.933 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.43 -18.19 60.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 71.44 110.937 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -104.68 -29.07 10.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 71.31 111.165 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -52.09 -42.4 63.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.232 -0.44 . . . . 74.03 110.975 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.102 -0.499 . . . . 72.13 110.9 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.41 HG12 ' O ' ' A' ' 8' ' ' VAL . 13.0 t . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.785 0.326 . . . . 64.52 111.077 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.6 tt -51.34 -30.16 10.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 74.21 111.118 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 16.5 m95 -56.77 -45.54 82.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.452 . . . . 70.51 110.91 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.2 mt -77.67 -30.12 51.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 72.41 110.934 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -78.88 -9.0 59.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.47 . . . . 73.24 110.937 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.3 t -116.16 -19.63 10.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.105 -0.498 . . . . 73.3 110.865 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.13 -20.83 28.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 61.43 111.079 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -86.76 5.86 34.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 71.44 110.864 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 3.2 ttm180 -117.13 -45.7 2.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 65.04 110.872 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -90.31 16.04 58.46 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.722 -0.752 . . . . 62.02 112.459 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.444 ' O ' HG12 ' A' ' 18' ' ' VAL . 3.6 t -144.67 11.5 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.791 0.329 . . . . 73.12 111.097 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.9 tp60 -134.3 -75.74 0.47 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 75.35 110.917 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.77 -16.72 60.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.215 -0.448 . . . . 51.11 110.904 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.3 m -107.68 -24.01 11.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 25.32 111.181 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 23.0 t80 -57.25 -42.75 82.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 64.12 110.864 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 63.33 110.873 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.403 ' O ' HG12 ' A' ' 8' ' ' VAL . 12.6 t . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.798 0.332 . . . . 73.11 111.139 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.3 tt -51.31 -30.19 9.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 55.22 111.134 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 16.5 m95 -56.29 -46.41 79.77 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.171 -0.468 . . . . 63.5 110.87 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 34.9 mt -76.93 -30.83 56.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 71.23 110.951 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -78.27 -7.98 57.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 72.53 110.96 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.27 25.22 5.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.096 -0.502 . . . . 73.02 110.855 -179.846 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -115.75 -38.52 3.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 73.14 111.096 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -81.68 -0.24 41.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 74.03 110.883 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.9 ttm180 -113.28 -43.18 3.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 73.05 110.892 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -90.29 15.86 58.86 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.765 -0.731 . . . . 52.23 112.457 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.451 ' O ' HG12 ' A' ' 18' ' ' VAL . 3.8 t -145.0 10.3 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.853 0.359 . . . . 75.43 111.169 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 24.2 mm-40 -135.77 -76.12 0.44 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 74.51 110.948 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.4 mt -72.84 -17.75 61.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 73.12 110.917 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 17.0 m -107.96 -23.8 11.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 60.2 111.156 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.424 ' HB2' ' HA ' ' A' ' 18' ' ' VAL . 22.5 t80 -60.7 -32.05 71.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 75.04 110.928 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.131 -0.486 . . . . 73.54 110.876 -179.98 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.412 HG12 ' O ' ' A' ' 8' ' ' VAL . 13.1 t . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.777 0.322 . . . . 74.33 111.082 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -51.39 -29.9 9.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 61.02 111.138 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 17.4 m95 -56.93 -47.56 80.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 72.31 110.936 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.3 mp -74.89 -30.84 61.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 72.12 110.895 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -76.97 -12.98 60.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 72.11 110.872 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.98 25.41 7.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 54.2 110.894 -179.845 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -119.03 -30.98 4.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.108 -0.496 . . . . 75.22 111.085 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -82.49 0.53 42.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 75.12 110.859 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 9.5 mtm180 -113.28 -43.75 3.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 75.05 110.887 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -90.33 16.26 57.95 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.72 -0.752 . . . . 70.12 112.493 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.45 ' O ' HG12 ' A' ' 18' ' ' VAL . 3.8 t -145.02 10.41 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.827 0.346 . . . . 63.44 111.169 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 19.7 mm-40 -135.9 -76.13 0.44 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 74.02 110.866 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.6 tp -72.89 -17.73 61.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.267 -0.424 . . . . 72.11 110.905 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.4 m -107.94 -23.75 11.9 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.188 -0.46 . . . . 74.04 111.186 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.428 ' HB2' ' HA ' ' A' ' 18' ' ' VAL . 24.1 t80 -60.68 -32.13 71.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 75.54 110.965 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.097 -0.502 . . . . 71.53 110.908 179.981 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.8 t . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.794 0.33 . . . . 55.3 111.167 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 10.0 tp -58.02 -26.88 30.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 73.4 111.093 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 16.8 m95 -57.47 -45.37 84.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.185 -0.461 . . . . 74.34 110.889 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.491 HD11 ' CE1' ' A' ' 12' ' ' TYR . 0.9 OUTLIER -75.69 -29.18 58.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 71.23 110.952 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.491 ' CE1' HD11 ' A' ' 11' ' ' LEU . 21.9 m-85 -75.72 -18.92 59.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 72.13 110.94 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.37 -18.78 13.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.094 -0.503 . . . . 45.1 110.85 -179.84 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.99 -20.73 30.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.494 . . . . 54.42 111.119 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -81.94 0.72 38.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 64.35 110.899 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.14 -40.71 4.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 75.43 110.886 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -97.7 19.17 55.68 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.729 -0.748 . . . . 54.44 112.429 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.436 ' O ' HG12 ' A' ' 18' ' ' VAL . 3.2 t -150.78 19.36 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.767 0.318 . . . . 74.24 111.089 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 72.5 mm-40 -145.84 -76.08 0.21 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 73.12 110.887 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.4 pp -77.61 -9.85 59.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 64.51 110.921 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 99.8 m -113.82 -31.66 6.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 73.04 111.142 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -52.63 -38.5 60.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 73.43 110.9 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 64.12 110.924 -179.996 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.411 HG12 ' O ' ' A' ' 8' ' ' VAL . 12.9 t . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.804 0.335 . . . . 74.43 111.155 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 9.8 tp -51.18 -30.44 9.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 72.13 111.119 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 16.2 m95 -55.93 -46.65 78.41 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.176 -0.465 . . . . 64.34 110.856 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 12.6 mt -76.72 -31.16 56.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.267 -0.424 . . . . 63.25 110.876 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -78.18 -7.16 56.74 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.206 -0.452 . . . . 64.05 110.867 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.22 25.49 5.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 74.34 110.854 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -116.94 -36.81 3.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.49 . . . . 71.51 111.132 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -82.34 0.44 41.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 73.21 110.888 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -113.54 -43.65 3.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 72.42 110.886 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -90.21 15.72 59.05 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.748 -0.739 . . . . 42.2 112.43 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.444 ' O ' HG12 ' A' ' 18' ' ' VAL . 3.8 t -144.66 10.53 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.773 0.321 . . . . 72.42 111.081 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 70.8 mm-40 -131.91 -76.12 0.51 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 61.21 110.927 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -76.22 -17.74 59.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 72.14 110.887 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.5 m -105.3 -24.23 12.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 71.45 111.18 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.416 ' HB2' ' HA ' ' A' ' 18' ' ' VAL . 20.6 t80 -58.14 -44.05 87.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.452 . . . . 72.22 110.924 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 74.51 110.87 -179.999 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.402 HG12 ' O ' ' A' ' 8' ' ' VAL . 12.9 t . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.842 0.353 . . . . 72.33 111.148 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 15.6 tt -51.21 -30.26 9.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 71.21 111.096 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 16.4 m95 -56.32 -46.66 79.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 71.34 110.906 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 94.4 mt -76.57 -30.71 57.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 52.23 110.936 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -78.49 -8.01 58.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 73.11 110.912 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.59 24.61 5.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.486 . . . . 64.23 110.836 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -118.96 -30.71 4.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 55.52 111.093 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -83.17 1.34 41.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 62.31 110.866 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 15.0 ptp180 -113.85 -44.02 3.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 74.42 110.848 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -90.32 16.13 58.25 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.738 -0.744 . . . . 61.22 112.523 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.458 ' O ' HG12 ' A' ' 18' ' ' VAL . 3.7 t -144.6 10.39 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.719 0.295 . . . . 75.41 111.115 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -131.73 -76.12 0.51 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 74.22 110.936 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -76.32 -17.7 59.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.173 -0.467 . . . . 74.51 110.923 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.5 m -105.28 -24.11 12.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.456 . . . . 72.01 111.149 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.409 ' HB2' ' HA ' ' A' ' 18' ' ' VAL . 21.3 t80 -58.24 -44.27 88.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 74.54 110.885 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 70.34 110.876 -179.987 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.1 t . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.813 0.339 . . . . 51.42 111.139 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.0 tt -52.82 -28.48 13.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 74.01 111.151 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' TRP . . . . . 0.415 ' O ' ' HB2' ' A' ' 14' ' ' ALA . 16.8 m95 -56.31 -46.88 79.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.472 . . . . 75.24 110.902 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 9.1 mt -74.4 -32.84 62.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 70.1 110.919 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -73.87 -16.96 61.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 73.11 110.941 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.82 24.51 10.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.086 -0.506 . . . . 61.24 110.828 -179.816 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.415 ' HB2' ' O ' ' A' ' 10' ' ' TRP . . . -118.28 -29.45 5.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 61.34 111.073 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -85.53 4.63 35.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.255 -0.429 . . . . 63.11 110.912 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.68 -39.59 4.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 43.22 110.896 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -101.12 14.53 58.4 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.717 -0.754 . . . . 41.54 112.471 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.433 ' O ' HG12 ' A' ' 18' ' ' VAL . 3.5 t -148.88 28.78 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.801 0.334 . . . . 60.11 111.153 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -148.78 -76.18 0.16 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 74.33 110.885 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -84.75 -10.22 57.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 74.04 110.934 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 94.9 m -112.31 -28.35 7.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 43.42 111.107 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -55.97 -47.68 77.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.22 -0.445 . . . . 71.14 110.907 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 55.11 110.853 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.3 t . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.794 0.331 . . . . 74.13 111.126 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 11.2 tt -52.8 -28.52 13.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 72.22 111.155 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' TRP . . . . . 0.421 ' O ' ' HB2' ' A' ' 14' ' ' ALA . 16.7 m95 -56.44 -46.77 80.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.471 . . . . 71.31 110.884 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -74.42 -32.77 62.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 54.15 110.931 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -73.91 -17.15 61.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.23 -0.441 . . . . 74.44 110.936 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.65 24.67 10.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.483 . . . . 74.41 110.901 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.421 ' HB2' ' O ' ' A' ' 10' ' ' TRP . . . -118.35 -29.61 5.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.09 -0.505 . . . . 71.14 111.066 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -84.06 2.74 37.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 64.22 110.904 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 12.6 ptp180 -110.03 -37.33 5.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 65.45 110.861 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -103.1 15.81 54.51 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.731 -0.747 . . . . 72.32 112.506 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.435 ' O ' HG12 ' A' ' 18' ' ' VAL . 3.5 t -149.84 27.6 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.814 0.34 . . . . 74.35 111.15 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 48.2 tp60 -146.29 -76.52 0.19 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 62.12 110.903 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -85.66 -10.73 55.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 71.01 110.931 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 98.0 m -110.47 -27.57 8.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.175 -0.466 . . . . 74.43 111.172 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -58.02 -49.39 77.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.182 -0.463 . . . . 75.34 110.895 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.107 -0.497 . . . . 75.1 110.891 -179.962 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.436 HG22 ' CE2' ' A' ' 12' ' ' TYR . 7.2 p . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.757 0.313 . . . . 62.41 111.087 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 13.7 tt -65.14 -27.19 41.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 71.52 111.096 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' TRP . . . . . 0.443 ' O ' ' HB2' ' A' ' 14' ' ' ALA . 15.7 m95 -55.05 -42.49 72.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.201 -0.454 . . . . 64.44 110.93 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.9 mt -79.78 -33.95 40.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.262 -0.426 . . . . 72.24 110.883 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.436 ' CE2' HG22 ' A' ' 8' ' ' VAL . 21.5 m-85 -76.86 -5.11 47.06 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.203 -0.453 . . . . 75.31 110.951 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -131.8 25.06 4.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.077 -0.511 . . . . 73.24 110.876 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.443 ' HB2' ' O ' ' A' ' 10' ' ' TRP . . . -119.88 -31.94 4.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 75.42 111.111 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -85.3 4.38 35.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 74.44 110.906 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.3 mmt180 -110.66 -39.3 4.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.101 -0.5 . . . . 75.11 110.841 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -101.27 14.5 58.21 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.758 -0.734 . . . . 72.23 112.507 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.432 ' O ' HG12 ' A' ' 18' ' ' VAL . 3.5 t -148.86 28.66 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.812 0.339 . . . . 71.12 111.16 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -148.58 -76.14 0.17 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 50.1 110.903 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -84.91 -10.26 57.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 75.24 110.919 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 95.5 m -112.16 -28.32 8.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 71.24 111.139 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -56.01 -47.82 77.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 65.11 110.924 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 44.51 110.851 -179.986 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.405 HG12 ' O ' ' A' ' 8' ' ' VAL . 12.9 t . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.81 0.338 . . . . 65.23 111.178 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.5 tt -51.34 -29.99 9.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.478 . . . . 74.54 111.13 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 17.2 m95 -56.62 -48.0 78.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 65.42 110.913 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -74.44 -31.5 62.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 51.32 110.958 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -76.16 -13.21 60.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 74.22 110.936 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.68 24.45 7.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 73.01 110.852 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -118.38 -29.44 5.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 70.43 111.097 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -81.04 -0.35 39.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 74.32 110.928 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -110.89 -39.31 4.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.106 -0.497 . . . . 74.04 110.868 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -98.71 19.32 54.83 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.741 -0.742 . . . . 64.24 112.48 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.437 ' O ' HG12 ' A' ' 18' ' ' VAL . 3.3 t -150.87 18.89 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.805 0.336 . . . . 71.31 111.174 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 49.1 tp60 -145.07 -75.96 0.22 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 70.14 110.908 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -77.51 -10.76 59.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 72.42 110.896 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 88.5 m -112.34 -32.84 6.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 74.42 111.15 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -51.9 -38.14 55.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 70.12 110.94 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.124 -0.489 . . . . 72.41 110.877 -179.981 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.42 HG12 ' O ' ' A' ' 8' ' ' VAL . 10.8 t . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.803 0.335 . . . . 64.23 111.129 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.5 tt -56.12 -23.46 15.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 64.44 111.138 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -69.16 -32.99 72.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 73.13 110.946 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.3 mt -90.3 -20.14 23.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.471 . . . . 75.12 110.912 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -87.83 -25.63 23.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.474 . . . . 62.44 110.912 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -95.71 -17.16 21.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 64.23 110.847 -179.853 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -91.79 -22.84 19.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 52.31 111.11 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -84.09 2.55 38.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 72.3 110.897 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 11.3 ptp180 -110.18 -37.25 5.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 73.12 110.892 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -102.86 16.2 54.69 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.746 -0.74 . . . . 43.24 112.489 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.438 ' O ' HG12 ' A' ' 18' ' ' VAL . 3.5 t -150.1 26.83 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.76 0.314 . . . . 71.42 111.104 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 26.2 mm100 -145.51 -76.51 0.21 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.491 . . . . 63.43 110.918 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.5 mt -85.75 -10.37 55.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 71.22 110.917 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 98.5 m -110.48 -28.0 8.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 53.42 111.132 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -57.74 -49.68 75.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 74.03 110.954 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 75.25 110.919 179.996 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.4 t . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.778 0.323 . . . . 74.44 111.122 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 10.6 tp -60.79 -18.63 17.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 65.12 111.152 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -66.89 -33.43 75.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 64.43 110.968 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.472 HD11 ' CE1' ' A' ' 12' ' ' TYR . 1.1 pp -89.56 -28.05 19.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 70.32 110.926 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.472 ' CE1' HD11 ' A' ' 11' ' ' LEU . 21.0 m-85 -75.28 -25.41 57.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 72.32 110.918 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.83 -20.66 19.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 72.34 110.846 -179.845 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.41 -21.67 27.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 62.41 111.065 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -82.94 1.12 41.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 73.03 110.888 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.47 -44.57 3.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.467 . . . . 74.43 110.856 -179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -90.33 16.2 58.12 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.701 -0.761 . . . . 72.54 112.468 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.458 ' O ' HG12 ' A' ' 18' ' ' VAL . 3.7 t -144.85 11.48 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.754 0.311 . . . . 74.33 111.1 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -134.11 -75.78 0.47 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 63.03 110.872 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.94 -16.71 59.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 63.31 110.94 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.5 m -107.55 -23.97 11.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 72.21 111.154 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.404 ' HB2' ' HA ' ' A' ' 18' ' ' VAL . 21.1 t80 -57.21 -43.37 82.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.187 -0.46 . . . . 64.04 110.951 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.118 -0.492 . . . . 73.22 110.919 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.88 0.371 . . . . 74.1 110.887 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 8.8 mmtm -96.86 165.57 12.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 70.33 110.86 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -128.16 -58.43 1.21 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 70.23 110.888 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -71.45 -25.82 62.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 74.4 110.884 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 63.8 t -95.08 -37.88 8.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 55.02 111.173 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -74.94 -6.6 50.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 75.34 111.068 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 1.6 ttp -101.47 -25.22 14.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 75.21 110.862 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.414 HG12 ' O ' ' A' ' 8' ' ' VAL . 12.8 t -108.14 -7.1 10.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 74.31 111.108 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 6.1 tp -51.43 -29.86 9.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.479 . . . . 62.23 111.135 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 17.4 m95 -57.0 -47.42 80.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 72.32 110.912 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 16.8 mt -75.04 -30.74 61.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.234 -0.439 . . . . 73.22 110.929 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -77.0 -13.1 60.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.466 . . . . 64.12 110.914 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.82 25.32 7.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 72.0 110.832 -179.844 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -118.74 -31.28 4.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 51.43 111.098 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -82.65 0.79 41.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 75.14 110.832 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.81 -44.28 3.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 73.11 110.843 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -90.2 15.8 58.85 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.777 -0.725 . . . . 71.33 112.515 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.442 ' O ' HG12 ' A' ' 18' ' ' VAL . 3.6 t -144.82 11.56 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.793 0.33 . . . . 63.1 111.087 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -134.31 -75.82 0.47 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 74.04 110.875 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.517 ' HA ' HD22 ' A' ' 27' ' ' LEU . 0.4 OUTLIER -75.84 -16.68 60.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 72.22 110.903 -179.935 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.2 m -107.68 -23.94 11.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 73.02 111.158 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.406 ' HB2' ' HA ' ' A' ' 18' ' ' VAL . 21.0 t80 -57.28 -42.97 82.66 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.228 -0.442 . . . . 71.03 110.938 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -51.6 -55.48 19.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 74.23 110.899 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.42 ' O ' HG23 ' A' ' 25' ' ' THR . 7.3 t-80 63.33 38.2 10.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.484 . . . . 63.4 110.845 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.42 HG23 ' O ' ' A' ' 24' ' ' HIS . 0.0 OUTLIER -176.9 -65.9 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 54.33 111.134 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 1.4 ttm -80.39 -68.17 0.7 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 74.32 110.881 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.517 HD22 ' HA ' ' A' ' 20' ' ' LEU . 0.7 OUTLIER -68.6 -23.66 64.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 53.04 110.931 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -51.86 -70.54 0.08 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 64.32 110.926 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.3 mttp -90.1 -31.13 17.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 73.32 110.886 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.498 ' HD2' HD23 ' A' ' 27' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 54.32 110.846 179.823 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 3.3 mmtp . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.82 0.343 . . . . 75.31 110.892 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 9.8 mtmt -102.87 169.57 8.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 65.12 110.858 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 4.7 mtm-85 -131.51 -55.17 1.02 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 75.15 110.873 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -70.0 -43.85 70.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 72.24 110.927 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.42 ' O ' HG12 ' A' ' 5' ' ' VAL . 3.2 t -95.54 27.3 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.109 -0.496 . . . . 63.33 111.125 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -116.9 -24.39 7.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 53.42 111.056 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.87 -23.26 22.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 74.14 110.858 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.409 HG12 ' O ' ' A' ' 8' ' ' VAL . 13.1 t -107.44 -6.99 10.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.244 -0.435 . . . . 70.32 111.141 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.0 tt -51.3 -29.95 9.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 75.21 111.128 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 17.0 m95 -56.75 -47.36 80.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 71.52 110.921 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 58.0 mt -75.31 -31.05 60.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.442 . . . . 72.43 110.885 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -77.12 -11.64 59.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 73.24 110.879 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -126.22 25.46 6.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.487 . . . . 70.23 110.84 -179.837 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -118.41 -32.41 4.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 75.43 111.123 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -82.93 1.11 41.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 74.14 110.882 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.25 -44.24 3.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 75.12 110.866 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -90.17 15.64 59.2 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.742 -0.742 . . . . 42.21 112.468 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.449 ' O ' HG12 ' A' ' 18' ' ' VAL . 3.6 t -144.9 11.66 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.758 0.313 . . . . 73.04 111.124 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -134.51 -75.75 0.46 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 55.12 110.956 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -75.83 -16.59 60.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 44.22 110.888 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 10.3 m -107.8 -23.98 11.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 64.15 111.13 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.406 ' HB2' ' HA ' ' A' ' 18' ' ' VAL . 11.9 t80 -57.24 -42.77 82.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.436 . . . . 74.31 110.913 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -51.62 142.71 13.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.104 -0.498 . . . . 72.35 110.905 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -179.26 -48.81 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 72.25 110.832 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.04 -41.71 0.39 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 61.42 111.176 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.8 -74.54 0.12 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 62.34 110.92 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.7 mp -75.99 -23.44 55.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 74.31 110.867 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -51.84 -74.48 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 61.12 110.896 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.0 ptpt -113.28 33.2 5.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 43.55 110.93 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 70.6 mmtt . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 74.25 110.896 179.919 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 11.8 mtmt . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.837 0.351 . . . . 73.35 110.868 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.588 ' HB2' ' HB2' ' A' ' 6' ' ' ALA . 3.3 mmtt -110.45 162.6 14.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.441 . . . . 42.23 110.877 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -125.85 -38.84 2.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 71.15 110.889 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.484 ' O ' HG23 ' A' ' 8' ' ' VAL . 6.1 m-85 -70.14 -74.6 0.13 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 72.23 110.905 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 14.6 p -65.49 -21.05 28.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 53.42 111.126 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.588 ' HB2' ' HB2' ' A' ' 2' ' ' LYS . . . -74.17 -11.74 60.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 74.43 111.123 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -114.1 -15.77 12.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.44 . . . . 61.14 110.874 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 4' ' ' TYR . 13.2 t -107.08 -7.03 10.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 74.02 111.141 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.2 tt -51.14 -30.41 9.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 74.13 111.176 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 16.3 m95 -56.09 -46.48 79.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.481 . . . . 73.43 110.904 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -76.82 -30.79 56.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.439 . . . . 75.51 110.918 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -78.54 -7.42 57.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.121 -0.49 . . . . 64.03 110.951 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.11 24.09 5.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.103 -0.499 . . . . 64.24 110.892 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -118.62 -30.11 5.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 70.2 111.132 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -85.74 4.81 35.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 53.11 110.846 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 15.7 ptp180 -110.71 -39.88 4.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 72.25 110.882 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -100.88 14.43 58.76 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.705 -0.759 . . . . 64.32 112.515 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.437 ' O ' HG12 ' A' ' 18' ' ' VAL . 3.5 t -148.79 28.87 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.766 0.317 . . . . 64.24 111.1 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 17.8 tt0 -148.82 -76.19 0.16 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 73.12 110.908 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -84.77 -10.3 57.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 73.22 110.95 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 94.4 m -112.22 -28.34 7.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 73.53 111.115 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.637 ' HD2' HD12 ' A' ' 27' ' ' LEU . 1.1 t80 -55.96 -47.64 77.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 71.23 110.897 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -51.24 117.15 2.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 72.43 110.886 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -179.16 -35.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.484 . . . . 73.42 110.862 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.6 m -155.53 -41.29 0.08 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 63.35 111.154 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.96 34.15 2.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 75.12 110.872 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.637 HD12 ' HD2' ' A' ' 22' ' ' TYR . 0.5 OUTLIER -179.0 -35.07 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 74.33 110.938 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.01 -67.31 0.26 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 73.3 110.89 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 9.4 mttt -104.15 -33.17 8.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 73.02 110.918 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 74.12 110.959 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.818 0.342 . . . . 72.22 110.87 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.44 ' HB3' ' HB2' ' A' ' 6' ' ' ALA . 0.0 OUTLIER -102.19 164.25 11.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.281 -0.418 . . . . 71.04 110.907 179.866 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.5 ptt-85 -129.5 -39.4 1.48 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.26 -0.427 . . . . 71.32 110.846 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -70.93 -71.08 0.27 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 74.43 110.889 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 25.9 t -69.92 -23.88 26.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.106 -0.497 . . . . 62.01 111.101 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.44 ' HB2' ' HB3' ' A' ' 2' ' ' LYS . . . -75.1 -6.25 48.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 70.34 111.125 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 5.2 mtt -109.47 -19.1 13.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.429 . . . . 72.41 110.886 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 12.5 t -109.1 -11.02 11.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 71.33 111.15 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.9 tp -51.26 -30.15 9.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 65.53 111.111 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 15.7 m95 -55.44 -46.13 76.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 74.5 110.905 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 34.7 mt -76.76 -32.85 58.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 62.2 110.907 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -75.61 -9.48 58.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.237 -0.438 . . . . 74.04 110.947 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.4 t -115.97 -19.83 10.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.101 -0.499 . . . . 70.32 110.825 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -85.84 -20.43 29.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 40.25 111.131 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -86.7 6.09 32.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 73.25 110.858 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.8 tpp180 -111.13 -41.67 4.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 62.23 110.88 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -99.48 14.25 60.87 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.811 -0.709 . . . . 64.55 112.445 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.439 ' O ' HG12 ' A' ' 18' ' ' VAL . 3.5 t -148.68 29.19 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.773 0.321 . . . . 74.0 111.136 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 77.9 mm-40 -149.22 -76.34 0.16 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 74.13 110.909 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -84.66 -10.28 57.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.198 -0.456 . . . . 75.41 110.942 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 90.5 m -112.41 -28.01 8.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.476 . . . . 72.55 111.125 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -56.22 -47.53 78.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.462 . . . . 72.34 110.936 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -51.35 168.78 0.06 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.103 -0.499 . . . . 65.12 110.891 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.424 ' O ' HG23 ' A' ' 25' ' ' THR . 1.9 t60 63.27 26.59 15.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 71.44 110.861 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.424 HG23 ' O ' ' A' ' 24' ' ' HIS . 0.0 OUTLIER -170.92 -73.59 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.2 -0.455 . . . . 73.32 111.151 -179.91 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 14.2 mtt -104.2 48.99 0.83 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 64.1 110.86 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -178.0 -35.5 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.258 -0.428 . . . . 61.13 110.947 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -67.59 -57.52 6.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.471 . . . . 70.24 110.874 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.9 mtmp? -74.48 -45.07 48.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 70.43 110.911 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 74.54 110.927 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 10.2 mmtt . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.849 0.357 . . . . 73.53 110.914 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -80.61 160.3 25.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 63.53 110.908 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.71 -58.17 1.92 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 74.25 110.848 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -68.85 -40.2 79.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 74.5 110.911 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.421 ' O ' HG12 ' A' ' 5' ' ' VAL . 3.2 t -95.57 27.99 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.115 -0.493 . . . . 72.44 111.136 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -116.81 -24.15 7.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 74.24 111.082 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.92 -23.42 22.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 75.42 110.873 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.412 HG12 ' O ' ' A' ' 8' ' ' VAL . 13.1 t -107.38 -7.11 10.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 72.51 111.135 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.7 tt -51.07 -30.66 9.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 64.53 111.148 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 16.2 m95 -55.73 -46.29 77.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.479 . . . . 72.42 110.905 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 12.9 mt -77.17 -31.09 55.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 71.33 110.923 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -78.34 -6.78 56.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 63.41 110.877 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.28 25.11 5.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 64.15 110.895 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -115.43 -39.41 3.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.087 -0.506 . . . . 74.44 111.085 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -81.86 -0.06 41.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 71.3 110.854 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.5 mtm180 -112.95 -43.59 3.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 75.35 110.873 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -90.1 15.31 59.9 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.743 -0.741 . . . . 65.44 112.433 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.454 ' O ' HG12 ' A' ' 18' ' ' VAL . 3.7 t -144.72 11.29 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.778 0.323 . . . . 70.11 111.137 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.404 ' O ' HD12 ' A' ' 27' ' ' LEU . 33.1 tt0 -133.11 -75.8 0.49 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 63.23 110.934 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.4 pp -76.46 -16.95 59.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 73.51 110.931 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 10.1 m -106.69 -23.86 12.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 65.12 111.108 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.404 ' HB2' ' HA ' ' A' ' 18' ' ' VAL . 20.4 t80 -57.46 -44.94 85.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 63.24 110.953 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -52.01 -55.22 21.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.089 -0.505 . . . . 74.34 110.878 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.6 t60 63.86 36.0 10.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 73.22 110.839 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.6 t -178.86 -40.65 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 71.24 111.119 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 2.6 mtt -99.44 -72.94 0.64 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 72.23 110.88 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.404 HD12 ' O ' ' A' ' 19' ' ' GLN . 51.3 mt -72.46 -19.61 61.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 71.13 110.955 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -51.96 -63.82 1.02 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 74.13 110.915 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.8 mttp -98.33 -16.28 19.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 72.24 110.903 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 22.0 mmmt . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 73.14 110.955 179.903 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 2.8 mttp . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.824 0.345 . . . . 65.54 110.917 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.579 ' HB2' ' HB2' ' A' ' 6' ' ' ALA . 0.0 OUTLIER -88.85 -170.98 3.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 75.42 110.885 179.884 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.499 ' O ' HG23 ' A' ' 5' ' ' VAL . 13.8 mmt-85 -77.07 63.13 2.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 73.22 110.875 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 57.88 24.9 11.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 75.55 110.941 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 3' ' ' ARG . 61.3 t -112.2 -30.64 2.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.088 -0.506 . . . . 75.14 111.15 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.579 ' HB2' ' HB2' ' A' ' 2' ' ' LYS . . . -74.49 -13.92 60.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 74.44 111.064 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -106.67 -17.72 14.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 75.1 110.858 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.411 HG12 ' O ' ' A' ' 8' ' ' VAL . 13.1 t -107.61 -7.13 10.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 55.44 111.158 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.0 tt -51.35 -30.02 9.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 54.12 111.126 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 16.8 m95 -57.04 -45.11 83.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 72.14 110.9 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 32.9 mt -78.17 -29.8 48.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 60.45 110.923 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -79.36 -8.76 59.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.451 . . . . 74.45 110.93 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.9 t -116.16 -20.54 9.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.076 -0.511 . . . . 44.34 110.833 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -85.35 -21.18 29.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 55.31 111.097 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -82.63 1.37 38.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 75.22 110.882 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.1 ttm180 -111.16 -40.44 4.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 74.23 110.83 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -98.39 18.62 56.75 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.782 -0.723 . . . . 73.02 112.507 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.429 ' O ' HG12 ' A' ' 18' ' ' VAL . 3.1 t -150.6 20.75 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.804 0.335 . . . . 73.43 111.137 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -146.3 -76.26 0.2 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 72.14 110.937 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.33 -9.95 59.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 64.53 110.949 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 99.5 m -113.6 -30.2 6.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 72.23 111.178 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -53.58 -40.85 65.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 73.33 110.94 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -54.25 174.08 0.06 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 51.44 110.848 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.49 ' O ' HG23 ' A' ' 25' ' ' THR . 3.9 t-80 63.38 52.67 2.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.102 -0.499 . . . . 62.34 110.865 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.49 HG23 ' O ' ' A' ' 24' ' ' HIS . 0.0 OUTLIER -178.31 -73.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 73.32 111.152 -179.927 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.05 -62.75 1.26 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 73.41 110.886 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.51 -25.97 68.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 62.4 110.882 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -64.55 -72.62 0.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 72.02 110.909 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.79 33.21 1.7 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 74.21 110.884 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 73.41 110.933 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.87 0.366 . . . . 64.5 110.892 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.411 ' HD3' ' HB2' ' A' ' 6' ' ' ALA . 0.0 OUTLIER -82.73 -28.42 30.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 63.52 110.851 179.926 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 69.27 -75.46 0.07 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 75.41 110.849 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.574 ' O ' HG23 ' A' ' 8' ' ' VAL . 6.6 m-85 -67.88 -62.43 1.41 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.18 -0.464 . . . . 70.41 110.924 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 24.5 t -56.61 -34.75 42.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.111 -0.495 . . . . 72.22 111.141 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.411 ' HB2' ' HD3' ' A' ' 2' ' ' LYS . . . -74.76 -13.68 60.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 45.21 111.141 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 5.2 ttm -104.66 -19.0 14.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 71.31 110.871 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.574 HG23 ' O ' ' A' ' 4' ' ' TYR . 12.7 t -107.39 -7.21 10.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.431 . . . . 75.44 111.115 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.6 tt -51.21 -30.29 9.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 73.24 111.169 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 16.4 m95 -56.14 -46.51 79.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 74.13 110.874 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 13.8 mt -76.88 -30.92 56.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.262 -0.426 . . . . 65.13 110.886 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -78.24 -7.69 57.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.2 -0.454 . . . . 62.12 110.965 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.64 25.26 5.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.097 -0.501 . . . . 65.42 110.875 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -116.5 -37.06 3.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.491 . . . . 74.15 111.114 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -82.5 0.65 41.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 53.33 110.891 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -113.35 -44.0 3.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 73.14 110.856 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -89.98 15.27 59.8 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.753 -0.737 . . . . 74.03 112.525 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.456 ' O ' HG12 ' A' ' 18' ' ' VAL . 3.6 t -144.85 11.63 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.752 0.311 . . . . 74.51 111.114 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 32.2 tp60 -134.48 -75.85 0.46 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 63.1 110.878 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -75.68 -16.6 60.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 74.33 110.955 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.3 m -107.86 -23.97 11.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 63.51 111.145 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.428 ' HE2' HD23 ' A' ' 27' ' ' LEU . 19.5 t80 -57.33 -42.6 82.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 73.01 110.949 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.58 142.8 13.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 30.04 110.889 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -179.32 -39.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 64.11 110.861 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -155.17 -41.3 0.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 74.45 111.136 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 3.7 mtm -70.34 -57.11 5.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.434 . . . . 64.04 110.859 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.428 HD23 ' HE2' ' A' ' 22' ' ' TYR . 1.4 mm? -92.28 -23.05 19.43 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.254 -0.43 . . . . 64.23 110.961 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -51.8 -67.77 0.22 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.489 . . . . 72.44 110.958 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 9.8 pttm -142.42 32.35 1.49 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 74.51 110.893 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.2 mptp? . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 65.51 110.904 179.834 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.86 0.362 . . . . 71.05 110.879 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.595 ' HB2' ' HB2' ' A' ' 6' ' ' ALA . 9.6 mmtt -108.05 154.19 22.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 72.22 110.896 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 10.4 mtm-85 -110.63 -59.9 1.89 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 73.21 110.854 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -71.19 -43.06 68.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 75.33 110.929 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 4.7 t -96.15 44.46 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.112 -0.494 . . . . 70.24 111.15 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.595 ' HB2' ' HB2' ' A' ' 2' ' ' LYS . . . -148.4 -41.91 0.16 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 71.24 111.105 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 6.7 mtt -87.9 -18.18 29.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 70.13 110.892 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.418 HG12 ' O ' ' A' ' 8' ' ' VAL . 12.5 t -106.56 -6.5 10.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 53.2 111.098 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.537 HG22 ' O ' ' A' ' 6' ' ' ALA . 8.3 tp -50.98 -32.87 12.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 71.35 111.168 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 14.4 m95 -53.79 -46.74 71.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 74.31 110.937 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.6 mt -76.45 -31.25 57.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.439 . . . . 74.23 110.914 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -79.13 -3.13 43.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.179 -0.464 . . . . 61.23 110.895 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -135.15 31.81 3.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 72.51 110.848 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -125.16 -38.83 2.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 64.34 111.096 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.506 ' HA ' HG12 ' A' ' 18' ' ' VAL . 33.5 p90 -55.52 -32.52 62.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 64.14 110.883 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 8.8 mtm180 -79.57 -34.03 41.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 74.11 110.875 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -99.43 18.93 55.66 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.779 -0.724 . . . . 71.11 112.517 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.506 HG12 ' HA ' ' A' ' 15' ' ' PHE . 3.5 p -132.07 1.85 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.842 0.353 . . . . 64.32 111.157 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -123.43 -75.8 0.6 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 71.52 110.933 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.43 -18.19 60.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 71.44 110.937 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -104.68 -29.07 10.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 71.31 111.165 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -52.09 -42.4 63.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.232 -0.44 . . . . 74.03 110.975 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.58 -171.66 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.102 -0.499 . . . . 72.13 110.9 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 33.7 t60 64.4 45.66 3.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 71.24 110.859 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.2 t 178.98 -41.93 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.184 -0.462 . . . . 75.51 111.169 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -116.62 -68.18 0.94 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 72.51 110.905 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.12 -25.84 67.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.43 . . . . 62.51 110.916 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 35.5 tp60 -62.28 -74.51 0.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 74.34 110.896 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.3 pttt -95.9 32.97 1.76 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 71.1 110.923 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.6 mptt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 74.01 110.884 179.864 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 18.7 mmtp . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.876 0.369 . . . . 72.13 110.888 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 10.8 mmpt? -64.63 -32.47 74.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 75.43 110.88 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 69.29 -75.43 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 74.34 110.811 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -68.72 -42.17 78.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 71.03 110.952 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.406 HG12 ' O ' ' A' ' 5' ' ' VAL . 3.4 t -95.19 34.14 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.105 -0.498 . . . . 73.14 111.124 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -132.47 -39.72 1.01 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 71.34 111.14 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.86 -24.52 22.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.438 . . . . 72.12 110.92 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.41 HG12 ' O ' ' A' ' 8' ' ' VAL . 13.0 t -107.71 -7.2 10.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 64.52 111.077 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.6 tt -51.34 -30.16 10.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 74.21 111.118 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 16.5 m95 -56.77 -45.54 82.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.452 . . . . 70.51 110.91 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.2 mt -77.67 -30.12 51.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 72.41 110.934 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -78.88 -9.0 59.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.47 . . . . 73.24 110.937 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.3 t -116.16 -19.63 10.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.105 -0.498 . . . . 73.3 110.865 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.13 -20.83 28.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 61.43 111.079 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -86.76 5.86 34.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 71.44 110.864 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 3.2 ttm180 -117.13 -45.7 2.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 65.04 110.872 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -90.31 16.04 58.46 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.722 -0.752 . . . . 62.02 112.459 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.444 ' O ' HG12 ' A' ' 18' ' ' VAL . 3.6 t -144.67 11.5 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.791 0.329 . . . . 73.12 111.097 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.9 tp60 -134.3 -75.74 0.47 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 75.35 110.917 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.77 -16.72 60.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.215 -0.448 . . . . 51.11 110.904 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.3 m -107.68 -24.01 11.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 25.32 111.181 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.581 ' HE2' HD13 ' A' ' 27' ' ' LEU . 23.0 t80 -57.25 -42.75 82.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 64.12 110.864 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.63 142.36 14.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 63.33 110.873 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -179.25 -49.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 74.13 110.866 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -140.45 -41.72 0.41 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 71.54 111.156 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.07 -74.46 0.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 75.51 110.869 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.581 HD13 ' HE2' ' A' ' 22' ' ' TYR . 1.9 mp -74.7 -24.37 58.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 70.25 110.88 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -51.87 -74.34 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.431 . . . . 61.53 110.933 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 26.7 mtpt -110.26 31.39 5.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 70.34 110.886 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.1 mmmm . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 72.15 110.896 179.835 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.847 0.356 . . . . 71.31 110.866 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.457 ' O ' ' HB3' ' A' ' 6' ' ' ALA . 4.7 mmpt? -113.55 150.85 32.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 62.34 110.883 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -108.89 -61.14 1.65 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 73.45 110.891 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -71.39 -34.14 70.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.228 -0.442 . . . . 74.42 110.905 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.9 t -78.82 -42.43 24.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 74.42 111.093 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.457 ' HB3' ' O ' ' A' ' 2' ' ' LYS . . . -74.23 -7.62 53.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 74.43 111.062 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.92 -30.34 17.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 75.02 110.874 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.403 ' O ' HG12 ' A' ' 8' ' ' VAL . 12.6 t -109.41 -7.19 11.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 73.11 111.139 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.3 tt -51.31 -30.19 9.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 55.22 111.134 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 16.5 m95 -56.29 -46.41 79.77 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.171 -0.468 . . . . 63.5 110.87 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 34.9 mt -76.93 -30.83 56.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 71.23 110.951 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -78.27 -7.98 57.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 72.53 110.96 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.27 25.22 5.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.096 -0.502 . . . . 73.02 110.855 -179.846 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -115.75 -38.52 3.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 73.14 111.096 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -81.68 -0.24 41.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 74.03 110.883 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.9 ttm180 -113.28 -43.18 3.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 73.05 110.892 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -90.29 15.86 58.86 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.765 -0.731 . . . . 52.23 112.457 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.451 ' O ' HG12 ' A' ' 18' ' ' VAL . 3.8 t -145.0 10.3 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.853 0.359 . . . . 75.43 111.169 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 24.2 mm-40 -135.77 -76.12 0.44 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 74.51 110.948 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.4 mt -72.84 -17.75 61.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 73.12 110.917 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 17.0 m -107.96 -23.8 11.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 60.2 111.156 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.424 ' HB2' ' HA ' ' A' ' 18' ' ' VAL . 22.5 t80 -60.7 -32.05 71.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 75.04 110.928 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -50.27 139.72 14.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.131 -0.486 . . . . 73.54 110.876 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -174.46 -39.83 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.491 . . . . 63.1 110.863 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -139.81 -49.18 0.47 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 63.43 111.183 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 20.3 mmt -82.78 -71.91 0.47 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 73.44 110.85 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.06 -26.47 67.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 74.34 110.941 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.12 -59.24 5.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 74.54 110.873 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.7 mttm -81.21 -31.78 33.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 54.45 110.899 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 73.32 110.913 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 1.4 mppt? . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.875 0.369 . . . . 73.12 110.922 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 6.6 mttt -97.78 165.41 11.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 75.31 110.909 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.82 -53.53 1.06 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.22 -0.445 . . . . 44.12 110.872 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -68.93 -48.0 64.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 75.21 110.92 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.41 ' O ' HG12 ' A' ' 5' ' ' VAL . 3.1 t -95.39 26.29 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.487 . . . . 62.21 111.131 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -116.83 -24.26 7.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 71.3 111.148 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 3.2 mtt -88.88 -23.27 22.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 44.32 110.904 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.412 HG12 ' O ' ' A' ' 8' ' ' VAL . 13.1 t -107.46 -6.97 10.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 74.33 111.082 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -51.39 -29.9 9.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 61.02 111.138 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 17.4 m95 -56.93 -47.56 80.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 72.31 110.936 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.3 mp -74.89 -30.84 61.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 72.12 110.895 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -76.97 -12.98 60.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 72.11 110.872 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.98 25.41 7.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 54.2 110.894 -179.845 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -119.03 -30.98 4.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.108 -0.496 . . . . 75.22 111.085 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -82.49 0.53 42.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 75.12 110.859 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 9.5 mtm180 -113.28 -43.75 3.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 75.05 110.887 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -90.33 16.26 57.95 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.72 -0.752 . . . . 70.12 112.493 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.45 ' O ' HG12 ' A' ' 18' ' ' VAL . 3.8 t -145.02 10.41 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.827 0.346 . . . . 63.44 111.169 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 19.7 mm-40 -135.9 -76.13 0.44 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 74.02 110.866 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.6 tp -72.89 -17.73 61.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.267 -0.424 . . . . 72.11 110.905 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.4 m -107.94 -23.75 11.9 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.188 -0.46 . . . . 74.04 111.186 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.428 ' HB2' ' HA ' ' A' ' 18' ' ' VAL . 24.1 t80 -60.68 -32.13 71.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 75.54 110.965 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -50.22 143.57 8.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.097 -0.502 . . . . 71.53 110.908 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -176.4 -37.8 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.164 -0.471 . . . . 73.44 110.893 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.6 t -155.36 -41.74 0.08 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 75.03 111.107 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 2.1 ttt -79.82 -33.56 40.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 74.43 110.899 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.4 tp -110.79 -26.97 9.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 70.15 110.895 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -53.26 -69.3 0.12 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 64.25 110.957 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.58 -27.02 13.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 65.23 110.899 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.5 mtpt . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.429 . . . . 70.3 110.871 179.809 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.786 0.327 . . . . 75.22 110.856 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.589 ' HB2' ' HB2' ' A' ' 6' ' ' ALA . 9.5 mmpt? -95.58 169.1 10.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.249 -0.432 . . . . 72.43 110.932 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 6.5 ttm-85 -123.91 -54.77 1.72 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.267 -0.424 . . . . 71.12 110.828 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -68.12 -70.25 0.27 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 64.5 110.944 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 20.7 m -56.96 -28.83 29.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.097 -0.501 . . . . 51.21 111.129 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.589 ' HB2' ' HB2' ' A' ' 2' ' ' LYS . . . -76.01 -18.21 59.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 43.04 111.098 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 25.0 ttm -89.32 -10.95 44.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 64.35 110.879 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.8 t -116.72 -21.79 4.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.256 -0.429 . . . . 55.3 111.167 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 10.0 tp -58.02 -26.88 30.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 73.4 111.093 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 16.8 m95 -57.47 -45.37 84.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.185 -0.461 . . . . 74.34 110.889 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.491 HD11 ' CE1' ' A' ' 12' ' ' TYR . 0.9 OUTLIER -75.69 -29.18 58.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 71.23 110.952 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.491 ' CE1' HD11 ' A' ' 11' ' ' LEU . 21.9 m-85 -75.72 -18.92 59.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 72.13 110.94 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.37 -18.78 13.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.094 -0.503 . . . . 45.1 110.85 -179.84 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.99 -20.73 30.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.494 . . . . 54.42 111.119 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -81.94 0.72 38.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 64.35 110.899 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.14 -40.71 4.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 75.43 110.886 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -97.7 19.17 55.68 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.729 -0.748 . . . . 54.44 112.429 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.436 ' O ' HG12 ' A' ' 18' ' ' VAL . 3.2 t -150.78 19.36 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.767 0.318 . . . . 74.24 111.089 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 72.5 mm-40 -145.84 -76.08 0.21 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 73.12 110.887 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.4 pp -77.61 -9.85 59.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 64.51 110.921 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 99.8 m -113.82 -31.66 6.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 73.04 111.142 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -52.63 -38.5 60.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 73.43 110.9 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -60.32 -169.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 64.12 110.924 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 64.44 17.25 10.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 74.22 110.839 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 10.2 t -176.31 32.04 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 74.23 111.128 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 179.3 -57.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 73.04 110.88 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -90.46 -30.65 17.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 64.42 110.912 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.37 -70.05 0.19 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 64.5 110.906 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 19.6 mttm -140.19 29.53 2.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 75.02 110.915 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.5 mmtt . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 75.31 110.901 179.893 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.877 0.37 . . . . 73.34 110.917 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.62 -38.23 73.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 65.42 110.846 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 69.24 -75.41 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 74.11 110.844 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -62.78 -44.38 96.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 75.32 110.921 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.424 ' O ' HG12 ' A' ' 5' ' ' VAL . 3.2 t -95.52 27.12 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.082 -0.508 . . . . 63.51 111.107 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.414 ' O ' HG22 ' A' ' 9' ' ' ILE . . . -116.75 -24.12 7.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 65.1 111.099 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.97 -23.31 22.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 71.52 110.879 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.411 HG12 ' O ' ' A' ' 8' ' ' VAL . 12.9 t -107.31 -7.05 10.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 74.43 111.155 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.414 HG22 ' O ' ' A' ' 6' ' ' ALA . 9.8 tp -51.18 -30.44 9.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 72.13 111.119 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 16.2 m95 -55.93 -46.65 78.41 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.176 -0.465 . . . . 64.34 110.856 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 12.6 mt -76.72 -31.16 56.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.267 -0.424 . . . . 63.25 110.876 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -78.18 -7.16 56.74 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.206 -0.452 . . . . 64.05 110.867 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.22 25.49 5.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 74.34 110.854 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -116.94 -36.81 3.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.49 . . . . 71.51 111.132 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -82.34 0.44 41.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 73.21 110.888 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -113.54 -43.65 3.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 72.42 110.886 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -90.21 15.72 59.05 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.748 -0.739 . . . . 42.2 112.43 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.444 ' O ' HG12 ' A' ' 18' ' ' VAL . 3.8 t -144.66 10.53 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.773 0.321 . . . . 72.42 111.081 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 70.8 mm-40 -131.91 -76.12 0.51 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 61.21 110.927 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -76.22 -17.74 59.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 72.14 110.887 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.5 m -105.3 -24.23 12.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 71.45 111.18 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.416 ' HB2' ' HA ' ' A' ' 18' ' ' VAL . 20.6 t80 -58.14 -44.05 87.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.452 . . . . 72.22 110.924 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.443 ' HB2' HD23 ' A' ' 27' ' ' LEU . 4.4 tt0 -56.31 133.84 53.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 74.51 110.87 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -179.11 -40.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 64.32 110.872 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.4 t -152.83 -41.83 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 64.11 111.14 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 3.1 mmt -74.62 -34.08 62.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 70.31 110.871 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.443 HD23 ' HB2' ' A' ' 23' ' ' GLU . 19.5 tp -114.76 -26.0 8.02 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.265 -0.425 . . . . 53.21 110.9 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 39.7 tt0 -52.14 -73.6 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 72.0 110.89 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.72 34.75 5.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 75.14 110.872 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 52.35 110.904 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 3.2 pttt . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.816 0.341 . . . . 73.01 110.922 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.504 ' CB ' ' HB2' ' A' ' 6' ' ' ALA . 26.1 mtpt -103.51 141.47 35.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 70.2 110.895 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 90.1 mtt180 -82.9 -64.39 1.18 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 74.32 110.889 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -91.17 148.08 22.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 64.04 110.958 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.464 ' O ' HG12 ' A' ' 5' ' ' VAL . 4.1 t 65.89 11.8 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 74.34 111.137 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.504 ' HB2' ' CB ' ' A' ' 2' ' ' LYS . . . -119.35 -21.99 7.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.483 . . . . 62.12 111.126 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.72 -23.67 25.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 70.35 110.857 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.402 HG12 ' O ' ' A' ' 8' ' ' VAL . 12.9 t -107.52 -7.07 10.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 72.33 111.148 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.432 HG22 ' O ' ' A' ' 6' ' ' ALA . 15.6 tt -51.21 -30.26 9.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 71.21 111.096 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 16.4 m95 -56.32 -46.66 79.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 71.34 110.906 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 94.4 mt -76.57 -30.71 57.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 52.23 110.936 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -78.49 -8.01 58.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 73.11 110.912 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.59 24.61 5.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.486 . . . . 64.23 110.836 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -118.96 -30.71 4.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 55.52 111.093 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -83.17 1.34 41.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 62.31 110.866 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 15.0 ptp180 -113.85 -44.02 3.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 74.42 110.848 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -90.32 16.13 58.25 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.738 -0.744 . . . . 61.22 112.523 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.458 ' O ' HG12 ' A' ' 18' ' ' VAL . 3.7 t -144.6 10.39 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.719 0.295 . . . . 75.41 111.115 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -131.73 -76.12 0.51 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 74.22 110.936 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -76.32 -17.7 59.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.173 -0.467 . . . . 74.51 110.923 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.5 m -105.28 -24.11 12.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.456 . . . . 72.01 111.149 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.409 ' HB2' ' HA ' ' A' ' 18' ' ' VAL . 21.3 t80 -58.24 -44.27 88.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 74.54 110.885 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -55.9 138.28 48.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 70.34 110.876 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -178.92 -51.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 74.1 110.849 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.2 t -135.53 -41.77 0.7 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 71.01 111.18 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 1.7 mtt -72.75 -73.51 0.2 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 74.22 110.91 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.6 tp -71.17 -25.9 62.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 64.41 110.92 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -52.08 -74.44 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 62.43 110.888 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.9 ptmt -107.74 33.54 4.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 74.42 110.872 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.4 mptt . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 53.22 110.88 179.843 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 1.9 mptt . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.854 0.359 . . . . 73.03 110.881 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.777 ' HB3' ' HB2' ' A' ' 6' ' ' ALA . 1.1 mtpp 63.18 16.48 9.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 72.14 110.885 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.3 ptt180 -67.37 87.64 0.19 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 74.45 110.904 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 62.13 16.59 8.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 71.14 110.927 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.421 HG23 ' HA ' ' A' ' 2' ' ' LYS . 15.3 m -117.18 -9.79 12.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 62.0 111.143 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.777 ' HB2' ' HB3' ' A' ' 2' ' ' LYS . . . -74.44 -17.17 60.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.475 . . . . 70.12 111.126 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -105.99 -9.22 17.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 53.22 110.887 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.1 t -111.81 -18.62 7.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.269 -0.423 . . . . 51.42 111.139 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.0 tt -52.82 -28.48 13.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 74.01 111.151 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.415 ' O ' ' HB2' ' A' ' 14' ' ' ALA . 16.8 m95 -56.31 -46.88 79.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.472 . . . . 75.24 110.902 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 9.1 mt -74.4 -32.84 62.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 70.1 110.919 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -73.87 -16.96 61.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 73.11 110.941 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.82 24.51 10.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.086 -0.506 . . . . 61.24 110.828 -179.816 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.415 ' HB2' ' O ' ' A' ' 10' ' ' TRP . . . -118.28 -29.45 5.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 61.34 111.073 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -85.53 4.63 35.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.255 -0.429 . . . . 63.11 110.912 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.68 -39.59 4.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 43.22 110.896 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -101.12 14.53 58.4 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.717 -0.754 . . . . 41.54 112.471 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.433 ' O ' HG12 ' A' ' 18' ' ' VAL . 3.5 t -148.88 28.78 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.801 0.334 . . . . 60.11 111.153 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -148.78 -76.18 0.16 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 74.33 110.885 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -84.75 -10.22 57.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 74.04 110.934 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 94.9 m -112.31 -28.35 7.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 43.42 111.107 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -55.97 -47.68 77.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.22 -0.445 . . . . 71.14 110.907 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -51.3 162.02 0.38 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 55.11 110.853 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 63.31 23.12 13.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 73.24 110.865 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.4 m -161.65 -68.17 0.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 74.34 111.177 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 7.7 mmt -111.66 29.07 8.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 54.52 110.885 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -150.02 -42.27 0.13 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 72.44 110.914 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 41.9 tp60 -65.31 -61.22 2.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 74.24 110.912 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 7.2 mtpp -118.6 60.16 0.8 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 54.21 110.918 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.1 mtpt . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 64.32 110.877 179.873 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 6.0 mmpt? . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.867 0.365 . . . . 71.3 110.877 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.777 ' HB3' ' HB2' ' A' ' 6' ' ' ALA . 6.8 mtmm 63.18 16.49 9.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 75.43 110.881 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.44 87.68 0.2 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 54.2 110.866 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 62.06 16.66 8.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.157 -0.474 . . . . 64.22 110.939 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.431 HG23 ' HA ' ' A' ' 2' ' ' LYS . 15.0 m -117.19 -9.74 12.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.497 . . . . 74.34 111.121 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.777 ' HB2' ' HB3' ' A' ' 2' ' ' LYS . . . -74.51 -17.21 60.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 75.11 111.08 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -105.94 -9.2 17.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 62.44 110.905 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.3 t -111.79 -18.59 7.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 74.13 111.126 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 11.2 tt -52.8 -28.52 13.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 72.22 111.155 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.421 ' O ' ' HB2' ' A' ' 14' ' ' ALA . 16.7 m95 -56.44 -46.77 80.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.471 . . . . 71.31 110.884 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -74.42 -32.77 62.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 54.15 110.931 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -73.91 -17.15 61.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.23 -0.441 . . . . 74.44 110.936 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.65 24.67 10.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.483 . . . . 74.41 110.901 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.421 ' HB2' ' O ' ' A' ' 10' ' ' TRP . . . -118.35 -29.61 5.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.09 -0.505 . . . . 71.14 111.066 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -84.06 2.74 37.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 64.22 110.904 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 12.6 ptp180 -110.03 -37.33 5.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 65.45 110.861 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -103.1 15.81 54.51 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.731 -0.747 . . . . 72.32 112.506 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.435 ' O ' HG12 ' A' ' 18' ' ' VAL . 3.5 t -149.84 27.6 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.814 0.34 . . . . 74.35 111.15 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 48.2 tp60 -146.29 -76.52 0.19 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 62.12 110.903 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -85.66 -10.73 55.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 71.01 110.931 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 98.0 m -110.47 -27.57 8.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.175 -0.466 . . . . 74.43 111.172 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -58.02 -49.39 77.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.182 -0.463 . . . . 75.34 110.895 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -51.77 118.39 3.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.107 -0.497 . . . . 75.1 110.891 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -177.43 -41.08 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.121 -0.49 . . . . 72.01 110.855 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.6 p -139.4 -45.5 0.45 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 72.22 111.094 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -81.09 -63.37 1.42 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 73.34 110.881 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.71 -26.0 61.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.275 -0.42 . . . . 71.1 110.965 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 48.7 tp60 -52.59 -71.94 0.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 70.44 110.886 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 20.3 mtmt -106.67 30.19 6.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 73.34 110.855 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 13.2 mmtt . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.28 -0.418 . . . . 73.41 110.915 179.873 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 8.8 mttp . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.869 0.366 . . . . 73.25 110.902 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.796 ' HB3' ' HB2' ' A' ' 6' ' ' ALA . 7.7 mmpt? 63.27 16.27 9.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 73.5 110.897 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 5.2 mtt180 -67.18 88.14 0.17 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 75.32 110.874 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 62.02 16.97 8.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.463 . . . . 73.41 110.912 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.662 ' HA ' HG12 ' A' ' 8' ' ' VAL . 10.8 p -117.86 -9.46 11.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.485 . . . . 61.54 111.098 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.796 ' HB2' ' HB3' ' A' ' 2' ' ' LYS . . . -74.31 -19.45 60.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.467 . . . . 53.14 111.116 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -97.33 -14.88 21.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 52.22 110.869 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.662 HG12 ' HA ' ' A' ' 5' ' ' VAL . 7.2 p -107.85 -16.84 8.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 62.41 111.087 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 13.7 tt -65.14 -27.19 41.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 71.52 111.096 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.443 ' O ' ' HB2' ' A' ' 14' ' ' ALA . 15.7 m95 -55.05 -42.49 72.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.201 -0.454 . . . . 64.44 110.93 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.9 mt -79.78 -33.95 40.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.262 -0.426 . . . . 72.24 110.883 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.436 ' CE2' HG22 ' A' ' 8' ' ' VAL . 21.5 m-85 -76.86 -5.11 47.06 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.203 -0.453 . . . . 75.31 110.951 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -131.8 25.06 4.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.077 -0.511 . . . . 73.24 110.876 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.443 ' HB2' ' O ' ' A' ' 10' ' ' TRP . . . -119.88 -31.94 4.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 75.42 111.111 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -85.3 4.38 35.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 74.44 110.906 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.3 mmt180 -110.66 -39.3 4.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.101 -0.5 . . . . 75.11 110.841 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -101.27 14.5 58.21 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.758 -0.734 . . . . 72.23 112.507 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.432 ' O ' HG12 ' A' ' 18' ' ' VAL . 3.5 t -148.86 28.66 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.812 0.339 . . . . 71.12 111.16 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -148.58 -76.14 0.17 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 50.1 110.903 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -84.91 -10.26 57.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 75.24 110.919 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 95.5 m -112.16 -28.32 8.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 71.24 111.139 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -56.01 -47.82 77.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 65.11 110.924 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -51.27 126.63 17.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 44.51 110.851 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -178.0 -43.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 75.03 110.905 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 11.2 m -143.76 -42.46 0.28 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 72.15 111.145 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 4.7 ttm -77.91 -69.66 0.53 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 52.02 110.91 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.6 mp -70.66 -26.03 63.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 74.44 110.877 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -52.02 -58.09 7.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 72.54 110.923 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 12.2 ptmt -117.79 26.33 9.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 73.12 110.898 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 9.1 mptt . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 53.32 110.899 179.875 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 8.9 ptpt . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.869 0.366 . . . . 72.32 110.869 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.07 162.03 14.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 75.42 110.845 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.77 -57.44 1.72 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 63.54 110.868 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -68.46 -43.02 77.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.231 -0.441 . . . . 74.25 110.907 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.419 ' O ' HG12 ' A' ' 5' ' ' VAL . 3.2 t -95.59 27.49 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.076 -0.511 . . . . 71.24 111.106 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -116.92 -24.39 7.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 54.21 111.078 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -88.91 -23.22 22.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.442 . . . . 71.23 110.885 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.405 HG12 ' O ' ' A' ' 8' ' ' VAL . 12.9 t -107.42 -7.0 10.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 65.23 111.178 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.5 tt -51.34 -29.99 9.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.478 . . . . 74.54 111.13 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 17.2 m95 -56.62 -48.0 78.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 65.42 110.913 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -74.44 -31.5 62.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 51.32 110.958 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -76.16 -13.21 60.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 74.22 110.936 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.68 24.45 7.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 73.01 110.852 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -118.38 -29.44 5.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 70.43 111.097 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -81.04 -0.35 39.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 74.32 110.928 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -110.89 -39.31 4.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.106 -0.497 . . . . 74.04 110.868 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -98.71 19.32 54.83 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.741 -0.742 . . . . 64.24 112.48 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.437 ' O ' HG12 ' A' ' 18' ' ' VAL . 3.3 t -150.87 18.89 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.805 0.336 . . . . 71.31 111.174 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 49.1 tp60 -145.07 -75.96 0.22 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 70.14 110.908 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -77.51 -10.76 59.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 72.42 110.896 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 88.5 m -112.34 -32.84 6.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 74.42 111.15 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -51.9 -38.14 55.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 70.12 110.94 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.628 ' HG3' HD23 ' A' ' 27' ' ' LEU . 2.2 tt0 -66.74 -169.38 0.08 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.124 -0.489 . . . . 72.41 110.877 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER 69.15 9.35 7.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 75.35 110.828 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 10.5 t -176.4 28.05 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 75.42 111.144 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 178.34 29.17 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 72.42 110.883 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.628 HD23 ' HG3' ' A' ' 23' ' ' GLU . 6.1 tp 173.62 -36.36 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 52.12 110.906 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 37.2 tp60 -57.77 -63.91 1.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 74.13 110.885 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.3 ptmt -130.44 27.95 4.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.192 -0.458 . . . . 74.05 110.909 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.1 mptt . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 72.05 110.902 179.869 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 7.7 pttp . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.872 0.368 . . . . 74.54 110.91 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.492 ' HB2' ' HB2' ' A' ' 6' ' ' ALA . 2.2 mtpp -120.04 172.54 7.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 72.52 110.966 179.81 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.68 -58.76 0.52 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.282 -0.417 . . . . 73.42 110.898 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -60.9 -23.99 65.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.444 . . . . 72.23 110.882 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 40.1 t -109.59 -32.76 2.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.49 . . . . 73.23 111.123 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.492 ' HB2' ' HB2' ' A' ' 2' ' ' LYS . . . -74.05 -14.78 61.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 34.51 111.095 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 10.0 mtt -103.17 -18.45 14.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 64.33 110.932 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.42 HG12 ' O ' ' A' ' 8' ' ' VAL . 10.8 t -108.44 -4.74 10.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.191 -0.459 . . . . 64.23 111.129 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.5 tt -56.12 -23.46 15.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 64.44 111.138 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -69.16 -32.99 72.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 73.13 110.946 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.3 mt -90.3 -20.14 23.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.471 . . . . 75.12 110.912 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -87.83 -25.63 23.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.474 . . . . 62.44 110.912 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -95.71 -17.16 21.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 64.23 110.847 -179.853 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -91.79 -22.84 19.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 52.31 111.11 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -84.09 2.55 38.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 72.3 110.897 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 11.3 ptp180 -110.18 -37.25 5.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 73.12 110.892 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -102.86 16.2 54.69 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.746 -0.74 . . . . 43.24 112.489 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.438 ' O ' HG12 ' A' ' 18' ' ' VAL . 3.5 t -150.1 26.83 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.76 0.314 . . . . 71.42 111.104 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 26.2 mm100 -145.51 -76.51 0.21 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.491 . . . . 63.43 110.918 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.5 mt -85.75 -10.37 55.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 71.22 110.917 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 98.5 m -110.48 -28.0 8.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 53.42 111.132 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -57.74 -49.68 75.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 74.03 110.954 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -51.67 114.76 1.36 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 75.25 110.919 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -177.46 -40.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 74.55 110.871 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -139.38 -45.12 0.45 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.183 -0.462 . . . . 61.42 111.144 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -82.03 -70.49 0.54 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 75.21 110.912 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.72 -26.06 67.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 64.13 110.921 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -52.86 -72.26 0.06 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 71.33 110.936 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.0 ptpp? -101.68 26.38 7.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 71.45 110.892 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 25.7 mmtt . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.266 -0.425 . . . . 54.14 110.931 179.882 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.851 0.358 . . . . 75.43 110.9 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -104.5 152.23 22.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.442 . . . . 75.14 110.887 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 86.8 mtm180 -109.95 -60.43 1.79 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 74.11 110.892 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.479 ' O ' HG23 ' A' ' 8' ' ' VAL . 6.7 m-85 -70.4 -61.61 1.71 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 73.4 110.894 -179.838 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 86.2 t -56.14 -29.95 28.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 75.31 111.105 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -74.88 -21.84 59.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 64.14 111.083 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 1.5 ttt -89.98 -7.33 54.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.28 -0.418 . . . . 74.5 110.855 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 4' ' ' TYR . 3.4 t -117.01 -20.96 5.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 74.44 111.122 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 10.6 tp -60.79 -18.63 17.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 65.12 111.152 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -66.89 -33.43 75.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 64.43 110.968 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.472 HD11 ' CE1' ' A' ' 12' ' ' TYR . 1.1 pp -89.56 -28.05 19.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 70.32 110.926 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.472 ' CE1' HD11 ' A' ' 11' ' ' LEU . 21.0 m-85 -75.28 -25.41 57.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 72.32 110.918 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.83 -20.66 19.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 72.34 110.846 -179.845 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.41 -21.67 27.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 62.41 111.065 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -82.94 1.12 41.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 73.03 110.888 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.47 -44.57 3.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.467 . . . . 74.43 110.856 -179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -90.33 16.2 58.12 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.701 -0.761 . . . . 72.54 112.468 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.458 ' O ' HG12 ' A' ' 18' ' ' VAL . 3.7 t -144.85 11.48 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.754 0.311 . . . . 74.33 111.1 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -134.11 -75.78 0.47 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 63.03 110.872 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.94 -16.71 59.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 63.31 110.94 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.5 m -107.55 -23.97 11.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 72.21 111.154 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.404 ' HB2' ' HA ' ' A' ' 18' ' ' VAL . 21.1 t80 -57.21 -43.37 82.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.187 -0.46 . . . . 64.04 110.951 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.552 ' HG3' HD23 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -51.5 140.9 16.98 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.118 -0.492 . . . . 73.22 110.919 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -179.18 -47.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 70.34 110.836 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -142.9 -42.08 0.31 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 73.41 111.124 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.94 -69.99 0.29 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 74.04 110.865 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.552 HD23 ' HG3' ' A' ' 23' ' ' GLU . 46.4 tp -80.26 -22.18 41.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.233 -0.439 . . . . 63.53 110.905 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -51.97 -44.84 64.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.183 -0.462 . . . . 72.15 110.945 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.1 mttm -116.35 -25.65 7.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 74.54 110.915 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.9 mptt . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 74.32 110.884 179.864 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.414 ' O ' HG12 ' A' ' 8' ' ' VAL . 12.8 t . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.831 0.348 . . . . 74.310000000000002 111.108 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 6.1 tp -51.43 -29.86 9.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.479 . . . . 62.229999999999997 111.135 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 17.4 m95 -57.0 -47.42 80.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 72.319999999999993 110.912 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 16.8 mt -75.04 -30.74 61.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.234 -0.439 . . . . 73.219999999999999 110.929 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -77.0 -13.1 60.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.466 . . . . 64.120000000000005 110.914 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.82 25.32 7.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 72.0 110.832 -179.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -118.74 -31.28 4.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 51.43 111.098 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -82.65 0.79 41.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 75.140000000000001 110.832 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.81 -44.28 3.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 73.109999999999999 110.843 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -90.2 15.8 58.85 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.777 -0.725 . . . . 71.329999999999998 112.515 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.442 ' O ' HG12 ' A' ' 18' ' ' VAL . 3.6 t -144.82 11.56 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.793 0.33 . . . . 63.100000000000001 111.087 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -134.31 -75.82 0.47 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 74.040000000000006 110.875 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.84 -16.68 60.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 72.219999999999999 110.903 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.2 m -107.68 -23.94 11.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 73.019999999999996 111.158 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.406 ' HB2' ' HA ' ' A' ' 18' ' ' VAL . 21.0 t80 -57.28 -42.97 82.66 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.228 -0.442 . . . . 71.030000000000001 110.938 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 74.230000000000004 110.899 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.409 ' O ' HG12 ' A' ' 8' ' ' VAL . 13.1 t . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.85 0.357 . . . . 70.319999999999993 111.141 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.0 tt -51.3 -29.95 9.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 75.209999999999994 111.128 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 17.0 m95 -56.75 -47.36 80.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 71.519999999999996 110.921 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 58.0 mt -75.31 -31.05 60.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.442 . . . . 72.430000000000007 110.885 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -77.12 -11.64 59.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 73.239999999999995 110.879 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -126.22 25.46 6.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.487 . . . . 70.230000000000004 110.84 -179.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -118.41 -32.41 4.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 75.430000000000007 111.123 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -82.93 1.11 41.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 74.140000000000001 110.882 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.25 -44.24 3.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 75.120000000000005 110.866 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -90.17 15.64 59.2 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.742 -0.742 . . . . 42.210000000000001 112.468 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.449 ' O ' HG12 ' A' ' 18' ' ' VAL . 3.6 t -144.9 11.66 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.758 0.313 . . . . 73.040000000000006 111.124 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -134.51 -75.75 0.46 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 55.119999999999997 110.956 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -75.83 -16.59 60.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 44.219999999999999 110.888 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 10.3 m -107.8 -23.98 11.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 64.150000000000006 111.13 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.406 ' HB2' ' HA ' ' A' ' 18' ' ' VAL . 11.9 t80 -57.24 -42.77 82.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.436 . . . . 74.310000000000002 110.913 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.104 -0.498 . . . . 72.349999999999994 110.905 -179.992 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.411 ' O ' HG12 ' A' ' 8' ' ' VAL . 13.2 t . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.788 0.328 . . . . 74.019999999999996 111.141 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.2 tt -51.14 -30.41 9.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 74.129999999999995 111.176 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 16.3 m95 -56.09 -46.48 79.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.481 . . . . 73.430000000000007 110.904 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -76.82 -30.79 56.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.439 . . . . 75.510000000000005 110.918 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -78.54 -7.42 57.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.121 -0.49 . . . . 64.030000000000001 110.951 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.11 24.09 5.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.103 -0.499 . . . . 64.239999999999995 110.892 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -118.62 -30.11 5.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 70.200000000000003 111.132 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -85.74 4.81 35.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 53.109999999999999 110.846 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 15.7 ptp180 -110.71 -39.88 4.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 72.25 110.882 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -100.88 14.43 58.76 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.705 -0.759 . . . . 64.319999999999993 112.515 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.437 ' O ' HG12 ' A' ' 18' ' ' VAL . 3.5 t -148.79 28.87 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.766 0.317 . . . . 64.239999999999995 111.1 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 17.8 tt0 -148.82 -76.19 0.16 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 73.120000000000005 110.908 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -84.77 -10.3 57.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 73.219999999999999 110.95 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 94.4 m -112.22 -28.34 7.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 73.530000000000001 111.115 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -55.96 -47.64 77.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 71.230000000000004 110.897 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 72.430000000000007 110.886 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 12.5 t . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.83 0.348 . . . . 71.329999999999998 111.15 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.9 tp -51.26 -30.15 9.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 65.530000000000001 111.111 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 15.7 m95 -55.44 -46.13 76.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 74.5 110.905 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 34.7 mt -76.76 -32.85 58.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 62.200000000000003 110.907 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -75.61 -9.48 58.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.237 -0.438 . . . . 74.040000000000006 110.947 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.4 t -115.97 -19.83 10.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.101 -0.499 . . . . 70.319999999999993 110.825 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -85.84 -20.43 29.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 40.25 111.131 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -86.7 6.09 32.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 73.25 110.858 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.8 tpp180 -111.13 -41.67 4.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 62.229999999999997 110.88 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -99.48 14.25 60.87 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.811 -0.709 . . . . 64.549999999999997 112.445 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.439 ' O ' HG12 ' A' ' 18' ' ' VAL . 3.5 t -148.68 29.19 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.773 0.321 . . . . 74.0 111.136 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 77.9 mm-40 -149.22 -76.34 0.16 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 74.129999999999995 110.909 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -84.66 -10.28 57.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.198 -0.456 . . . . 75.409999999999997 110.942 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 90.5 m -112.41 -28.01 8.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.476 . . . . 72.549999999999997 111.125 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -56.22 -47.53 78.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.462 . . . . 72.340000000000003 110.936 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.103 -0.499 . . . . 65.120000000000005 110.891 -179.966 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.412 ' O ' HG12 ' A' ' 8' ' ' VAL . 13.1 t . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.836 0.35 . . . . 72.510000000000005 111.135 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.7 tt -51.07 -30.66 9.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 64.530000000000001 111.148 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 16.2 m95 -55.73 -46.29 77.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.479 . . . . 72.420000000000002 110.905 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 12.9 mt -77.17 -31.09 55.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 71.329999999999998 110.923 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -78.34 -6.78 56.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 63.409999999999997 110.877 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.28 25.11 5.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 64.150000000000006 110.895 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -115.43 -39.41 3.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.087 -0.506 . . . . 74.439999999999998 111.085 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -81.86 -0.06 41.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 71.299999999999997 110.854 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.5 mtm180 -112.95 -43.59 3.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 75.349999999999994 110.873 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -90.1 15.31 59.9 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.743 -0.741 . . . . 65.439999999999998 112.433 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.454 ' O ' HG12 ' A' ' 18' ' ' VAL . 3.7 t -144.72 11.29 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.778 0.323 . . . . 70.109999999999999 111.137 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 -133.11 -75.8 0.49 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 63.229999999999997 110.934 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.4 pp -76.46 -16.95 59.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 73.510000000000005 110.931 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 10.1 m -106.69 -23.86 12.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 65.120000000000005 111.108 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.404 ' HB2' ' HA ' ' A' ' 18' ' ' VAL . 20.4 t80 -57.46 -44.94 85.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 63.240000000000002 110.953 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.089 -0.505 . . . . 74.340000000000003 110.878 -179.968 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.411 ' O ' HG12 ' A' ' 8' ' ' VAL . 13.1 t . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.843 0.354 . . . . 55.439999999999998 111.158 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.0 tt -51.35 -30.02 9.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 54.119999999999997 111.126 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 16.8 m95 -57.04 -45.11 83.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 72.140000000000001 110.9 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 32.9 mt -78.17 -29.8 48.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 60.450000000000003 110.923 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -79.36 -8.76 59.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.451 . . . . 74.450000000000003 110.93 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.9 t -116.16 -20.54 9.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.076 -0.511 . . . . 44.340000000000003 110.833 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -85.35 -21.18 29.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 55.310000000000002 111.097 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -82.63 1.37 38.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 75.219999999999999 110.882 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.1 ttm180 -111.16 -40.44 4.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 74.230000000000004 110.83 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -98.39 18.62 56.75 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.782 -0.723 . . . . 73.019999999999996 112.507 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.429 ' O ' HG12 ' A' ' 18' ' ' VAL . 3.1 t -150.6 20.75 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.804 0.335 . . . . 73.430000000000007 111.137 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -146.3 -76.26 0.2 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 72.140000000000001 110.937 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.33 -9.95 59.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 64.530000000000001 110.949 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 99.5 m -113.6 -30.2 6.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 72.230000000000004 111.178 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -53.58 -40.85 65.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 73.329999999999998 110.94 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 51.439999999999998 110.848 179.992 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.415 ' O ' HG12 ' A' ' 8' ' ' VAL . 12.7 t . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.83 0.348 . . . . 75.439999999999998 111.115 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.6 tt -51.21 -30.29 9.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 73.239999999999995 111.169 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 16.4 m95 -56.14 -46.51 79.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 74.129999999999995 110.874 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 13.8 mt -76.88 -30.92 56.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.262 -0.426 . . . . 65.129999999999995 110.886 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -78.24 -7.69 57.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.2 -0.454 . . . . 62.119999999999997 110.965 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.64 25.26 5.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.097 -0.501 . . . . 65.420000000000002 110.875 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -116.5 -37.06 3.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.491 . . . . 74.150000000000006 111.114 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -82.5 0.65 41.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 53.329999999999998 110.891 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -113.35 -44.0 3.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 73.140000000000001 110.856 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -89.98 15.27 59.8 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.753 -0.737 . . . . 74.030000000000001 112.525 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.456 ' O ' HG12 ' A' ' 18' ' ' VAL . 3.6 t -144.85 11.63 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.752 0.311 . . . . 74.510000000000005 111.114 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 32.2 tp60 -134.48 -75.85 0.46 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 63.100000000000001 110.878 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -75.68 -16.6 60.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 74.329999999999998 110.955 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.3 m -107.86 -23.97 11.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 63.509999999999998 111.145 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.405 ' HB2' ' HA ' ' A' ' 18' ' ' VAL . 19.5 t80 -57.33 -42.6 82.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 73.010000000000005 110.949 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 30.039999999999999 110.889 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.418 ' O ' HG12 ' A' ' 8' ' ' VAL . 12.5 t . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.753 0.311 . . . . 53.200000000000003 111.098 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 8.3 tp -50.98 -32.87 12.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 71.349999999999994 111.168 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 14.4 m95 -53.79 -46.74 71.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 74.310000000000002 110.937 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.6 mt -76.45 -31.25 57.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.439 . . . . 74.230000000000004 110.914 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -79.13 -3.13 43.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.179 -0.464 . . . . 61.229999999999997 110.895 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -135.15 31.81 3.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 72.510000000000005 110.848 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -125.16 -38.83 2.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 64.340000000000003 111.096 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.506 ' HA ' HG12 ' A' ' 18' ' ' VAL . 33.5 p90 -55.52 -32.52 62.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 64.140000000000001 110.883 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 8.8 mtm180 -79.57 -34.03 41.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 74.109999999999999 110.875 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -99.43 18.93 55.66 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.779 -0.724 . . . . 71.109999999999999 112.517 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.506 HG12 ' HA ' ' A' ' 15' ' ' PHE . 3.5 p -132.07 1.85 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.842 0.353 . . . . 64.319999999999993 111.157 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -123.43 -75.8 0.6 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 71.519999999999996 110.933 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.43 -18.19 60.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 71.439999999999998 110.937 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -104.68 -29.07 10.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 71.310000000000002 111.165 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -52.09 -42.4 63.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.232 -0.44 . . . . 74.030000000000001 110.975 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.102 -0.499 . . . . 72.129999999999995 110.9 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.41 ' O ' HG12 ' A' ' 8' ' ' VAL . 13.0 t . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.785 0.326 . . . . 64.519999999999996 111.077 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.6 tt -51.34 -30.16 10.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 74.209999999999994 111.118 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 16.5 m95 -56.77 -45.54 82.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.452 . . . . 70.510000000000005 110.91 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.2 mt -77.67 -30.12 51.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 72.409999999999997 110.934 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -78.88 -9.0 59.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.47 . . . . 73.239999999999995 110.937 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.3 t -116.16 -19.63 10.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.105 -0.498 . . . . 73.299999999999997 110.865 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.13 -20.83 28.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 61.43 111.079 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -86.76 5.86 34.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 71.439999999999998 110.864 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 3.2 ttm180 -117.13 -45.7 2.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 65.040000000000006 110.872 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -90.31 16.04 58.46 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.722 -0.752 . . . . 62.020000000000003 112.459 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.444 ' O ' HG12 ' A' ' 18' ' ' VAL . 3.6 t -144.67 11.5 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.791 0.329 . . . . 73.120000000000005 111.097 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.9 tp60 -134.3 -75.74 0.47 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 75.349999999999994 110.917 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.77 -16.72 60.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.215 -0.448 . . . . 51.109999999999999 110.904 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.3 m -107.68 -24.01 11.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 25.32 111.181 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 23.0 t80 -57.25 -42.75 82.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 64.120000000000005 110.864 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 63.329999999999998 110.873 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.403 ' O ' HG12 ' A' ' 8' ' ' VAL . 12.6 t . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.798 0.332 . . . . 73.109999999999999 111.139 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.3 tt -51.31 -30.19 9.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 55.219999999999999 111.134 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 16.5 m95 -56.29 -46.41 79.77 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.171 -0.468 . . . . 63.5 110.87 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 34.9 mt -76.93 -30.83 56.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 71.230000000000004 110.951 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -78.27 -7.98 57.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 72.530000000000001 110.96 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.27 25.22 5.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.096 -0.502 . . . . 73.019999999999996 110.855 -179.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -115.75 -38.52 3.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 73.140000000000001 111.096 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -81.68 -0.24 41.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 74.030000000000001 110.883 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.9 ttm180 -113.28 -43.18 3.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 73.049999999999997 110.892 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -90.29 15.86 58.86 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.765 -0.731 . . . . 52.229999999999997 112.457 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.451 ' O ' HG12 ' A' ' 18' ' ' VAL . 3.8 t -145.0 10.3 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.853 0.359 . . . . 75.430000000000007 111.169 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 24.2 mm-40 -135.77 -76.12 0.44 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 74.510000000000005 110.948 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.4 mt -72.84 -17.75 61.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 73.120000000000005 110.917 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 17.0 m -107.96 -23.8 11.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 60.200000000000003 111.156 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.424 ' HB2' ' HA ' ' A' ' 18' ' ' VAL . 22.5 t80 -60.7 -32.05 71.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 75.040000000000006 110.928 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.131 -0.486 . . . . 73.540000000000006 110.876 -179.98 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.412 ' O ' HG12 ' A' ' 8' ' ' VAL . 13.1 t . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.777 0.322 . . . . 74.329999999999998 111.082 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -51.39 -29.9 9.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 61.020000000000003 111.138 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 17.4 m95 -56.93 -47.56 80.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 72.310000000000002 110.936 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.3 mp -74.89 -30.84 61.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 72.120000000000005 110.895 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -76.97 -12.98 60.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 72.109999999999999 110.872 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.98 25.41 7.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 54.200000000000003 110.894 -179.845 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -119.03 -30.98 4.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.108 -0.496 . . . . 75.219999999999999 111.085 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -82.49 0.53 42.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 75.120000000000005 110.859 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 9.5 mtm180 -113.28 -43.75 3.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 75.049999999999997 110.887 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -90.33 16.26 57.95 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.72 -0.752 . . . . 70.120000000000005 112.493 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.45 ' O ' HG12 ' A' ' 18' ' ' VAL . 3.8 t -145.02 10.41 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.827 0.346 . . . . 63.439999999999998 111.169 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 19.7 mm-40 -135.9 -76.13 0.44 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 74.019999999999996 110.866 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.6 tp -72.89 -17.73 61.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.267 -0.424 . . . . 72.109999999999999 110.905 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.4 m -107.94 -23.75 11.9 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.188 -0.46 . . . . 74.040000000000006 111.186 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.428 ' HB2' ' HA ' ' A' ' 18' ' ' VAL . 24.1 t80 -60.68 -32.13 71.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 75.540000000000006 110.965 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.097 -0.502 . . . . 71.530000000000001 110.908 179.981 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.8 t . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.794 0.33 . . . . 55.299999999999997 111.167 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 10.0 tp -58.02 -26.88 30.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 73.400000000000006 111.093 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 16.8 m95 -57.47 -45.37 84.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.185 -0.461 . . . . 74.340000000000003 110.889 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.491 HD11 ' CE1' ' A' ' 12' ' ' TYR . 0.9 OUTLIER -75.69 -29.18 58.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 71.230000000000004 110.952 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.491 ' CE1' HD11 ' A' ' 11' ' ' LEU . 21.9 m-85 -75.72 -18.92 59.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 72.129999999999995 110.94 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.37 -18.78 13.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.094 -0.503 . . . . 45.100000000000001 110.85 -179.84 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.99 -20.73 30.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.494 . . . . 54.420000000000002 111.119 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -81.94 0.72 38.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 64.349999999999994 110.899 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.14 -40.71 4.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 75.430000000000007 110.886 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -97.7 19.17 55.68 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.729 -0.748 . . . . 54.439999999999998 112.429 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.436 ' O ' HG12 ' A' ' 18' ' ' VAL . 3.2 t -150.78 19.36 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.767 0.318 . . . . 74.239999999999995 111.089 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 22.2 mm100 -145.84 -76.08 0.21 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 73.120000000000005 110.887 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.4 pp -77.61 -9.85 59.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 64.510000000000005 110.921 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 99.8 m -113.82 -31.66 6.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 73.040000000000006 111.142 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -52.63 -38.5 60.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 73.430000000000007 110.9 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 64.120000000000005 110.924 -179.996 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.411 HG12 ' O ' ' A' ' 8' ' ' VAL . 12.9 t . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.804 0.335 . . . . 74.430000000000007 111.155 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 9.8 tp -51.18 -30.44 9.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 72.129999999999995 111.119 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 16.2 m95 -55.93 -46.65 78.41 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.176 -0.465 . . . . 64.340000000000003 110.856 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 12.6 mt -76.72 -31.16 56.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.267 -0.424 . . . . 63.25 110.876 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -78.18 -7.16 56.74 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.206 -0.452 . . . . 64.049999999999997 110.867 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.22 25.49 5.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 74.340000000000003 110.854 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -116.94 -36.81 3.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.49 . . . . 71.510000000000005 111.132 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -82.34 0.44 41.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 73.209999999999994 110.888 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -113.54 -43.65 3.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 72.420000000000002 110.886 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -90.21 15.72 59.05 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.748 -0.739 . . . . 42.200000000000003 112.43 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.444 ' O ' HG12 ' A' ' 18' ' ' VAL . 3.8 t -144.66 10.53 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.773 0.321 . . . . 72.420000000000002 111.081 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 70.8 mm-40 -131.91 -76.12 0.51 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 61.210000000000001 110.927 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -76.22 -17.74 59.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 72.140000000000001 110.887 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.5 m -105.3 -24.23 12.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 71.450000000000003 111.18 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.416 ' HB2' ' HA ' ' A' ' 18' ' ' VAL . 20.6 t80 -58.14 -44.05 87.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.452 . . . . 72.219999999999999 110.924 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 74.510000000000005 110.87 -179.999 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.402 ' O ' HG12 ' A' ' 8' ' ' VAL . 12.9 t . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.842 0.353 . . . . 72.329999999999998 111.148 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 15.6 tt -51.21 -30.26 9.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 71.209999999999994 111.096 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 16.4 m95 -56.32 -46.66 79.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 71.340000000000003 110.906 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 94.4 mt -76.57 -30.71 57.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 52.229999999999997 110.936 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -78.49 -8.01 58.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 73.109999999999999 110.912 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.59 24.61 5.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.486 . . . . 64.230000000000004 110.836 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -118.96 -30.71 4.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 55.520000000000003 111.093 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -83.17 1.34 41.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 62.310000000000002 110.866 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 15.0 ptp180 -113.85 -44.02 3.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 74.420000000000002 110.848 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -90.32 16.13 58.25 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.738 -0.744 . . . . 61.219999999999999 112.523 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.458 ' O ' HG12 ' A' ' 18' ' ' VAL . 3.7 t -144.6 10.39 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.719 0.295 . . . . 75.409999999999997 111.115 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -131.73 -76.12 0.51 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 74.219999999999999 110.936 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -76.32 -17.7 59.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.173 -0.467 . . . . 74.510000000000005 110.923 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.5 m -105.28 -24.11 12.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.456 . . . . 72.010000000000005 111.149 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.409 ' HB2' ' HA ' ' A' ' 18' ' ' VAL . 21.3 t80 -58.24 -44.27 88.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 74.540000000000006 110.885 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 70.340000000000003 110.876 -179.987 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.1 t . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.813 0.339 . . . . 51.420000000000002 111.139 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.0 tt -52.82 -28.48 13.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 74.010000000000005 111.151 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . 0.415 ' O ' ' HB2' ' A' ' 14' ' ' ALA . 16.8 m95 -56.31 -46.88 79.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.472 . . . . 75.239999999999995 110.902 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 9.1 mt -74.4 -32.84 62.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 70.099999999999994 110.919 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -73.87 -16.96 61.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 73.109999999999999 110.941 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.82 24.51 10.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.086 -0.506 . . . . 61.240000000000002 110.828 -179.816 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.415 ' HB2' ' O ' ' A' ' 10' ' ' TRP . . . -118.28 -29.45 5.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 61.340000000000003 111.073 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -85.53 4.63 35.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.255 -0.429 . . . . 63.109999999999999 110.912 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.68 -39.59 4.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 43.219999999999999 110.896 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -101.12 14.53 58.4 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.717 -0.754 . . . . 41.539999999999999 112.471 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.433 ' O ' HG12 ' A' ' 18' ' ' VAL . 3.5 t -148.88 28.78 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.801 0.334 . . . . 60.109999999999999 111.153 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -148.78 -76.18 0.16 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 74.329999999999998 110.885 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -84.75 -10.22 57.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 74.040000000000006 110.934 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 94.9 m -112.31 -28.35 7.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 43.420000000000002 111.107 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -55.97 -47.68 77.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.22 -0.445 . . . . 71.140000000000001 110.907 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 55.109999999999999 110.853 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.3 t . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.794 0.331 . . . . 74.129999999999995 111.126 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 11.2 tt -52.8 -28.52 13.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 72.219999999999999 111.155 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . 0.421 ' O ' ' HB2' ' A' ' 14' ' ' ALA . 16.7 m95 -56.44 -46.77 80.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.471 . . . . 71.310000000000002 110.884 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -74.42 -32.77 62.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 54.149999999999999 110.931 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -73.91 -17.15 61.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.23 -0.441 . . . . 74.439999999999998 110.936 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.65 24.67 10.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.483 . . . . 74.409999999999997 110.901 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.421 ' HB2' ' O ' ' A' ' 10' ' ' TRP . . . -118.35 -29.61 5.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.09 -0.505 . . . . 71.140000000000001 111.066 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -84.06 2.74 37.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 64.219999999999999 110.904 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 12.6 ptp180 -110.03 -37.33 5.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 65.450000000000003 110.861 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -103.1 15.81 54.51 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.731 -0.747 . . . . 72.319999999999993 112.506 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.435 ' O ' HG12 ' A' ' 18' ' ' VAL . 3.5 t -149.84 27.6 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.814 0.34 . . . . 74.349999999999994 111.15 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 48.2 tp60 -146.29 -76.52 0.19 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 62.119999999999997 110.903 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -85.66 -10.73 55.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 71.010000000000005 110.931 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 98.0 m -110.47 -27.57 8.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.175 -0.466 . . . . 74.430000000000007 111.172 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -58.02 -49.39 77.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.182 -0.463 . . . . 75.340000000000003 110.895 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.107 -0.497 . . . . 75.099999999999994 110.891 -179.962 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.436 HG22 ' CE2' ' A' ' 12' ' ' TYR . 7.2 p . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.757 0.313 . . . . 62.409999999999997 111.087 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 13.7 tt -65.14 -27.19 41.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 71.519999999999996 111.096 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . 0.443 ' O ' ' HB2' ' A' ' 14' ' ' ALA . 15.7 m95 -55.05 -42.49 72.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.201 -0.454 . . . . 64.439999999999998 110.93 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.9 mt -79.78 -33.95 40.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.262 -0.426 . . . . 72.239999999999995 110.883 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.436 ' CE2' HG22 ' A' ' 8' ' ' VAL . 21.5 m-85 -76.86 -5.11 47.06 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.203 -0.453 . . . . 75.310000000000002 110.951 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -131.8 25.06 4.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.077 -0.511 . . . . 73.239999999999995 110.876 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.443 ' HB2' ' O ' ' A' ' 10' ' ' TRP . . . -119.88 -31.94 4.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 75.420000000000002 111.111 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -85.3 4.38 35.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 74.439999999999998 110.906 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.3 mmt180 -110.66 -39.3 4.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.101 -0.5 . . . . 75.109999999999999 110.841 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -101.27 14.5 58.21 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.758 -0.734 . . . . 72.230000000000004 112.507 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.432 ' O ' HG12 ' A' ' 18' ' ' VAL . 3.5 t -148.86 28.66 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.812 0.339 . . . . 71.120000000000005 111.16 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -148.58 -76.14 0.17 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 50.100000000000001 110.903 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -84.91 -10.26 57.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 75.239999999999995 110.919 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 95.5 m -112.16 -28.32 8.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 71.239999999999995 111.139 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -56.01 -47.82 77.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 65.109999999999999 110.924 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 44.509999999999998 110.851 -179.986 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.405 ' O ' HG12 ' A' ' 8' ' ' VAL . 12.9 t . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.81 0.338 . . . . 65.230000000000004 111.178 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.5 tt -51.34 -29.99 9.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.478 . . . . 74.540000000000006 111.13 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 17.2 m95 -56.62 -48.0 78.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 65.420000000000002 110.913 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -74.44 -31.5 62.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 51.32 110.958 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -76.16 -13.21 60.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 74.219999999999999 110.936 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.68 24.45 7.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 73.010000000000005 110.852 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -118.38 -29.44 5.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 70.430000000000007 111.097 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -81.04 -0.35 39.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 74.319999999999993 110.928 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -110.89 -39.31 4.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.106 -0.497 . . . . 74.040000000000006 110.868 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -98.71 19.32 54.83 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.741 -0.742 . . . . 64.239999999999995 112.48 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.437 ' O ' HG12 ' A' ' 18' ' ' VAL . 3.3 t -150.87 18.89 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.805 0.336 . . . . 71.310000000000002 111.174 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 49.1 tp60 -145.07 -75.96 0.22 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 70.140000000000001 110.908 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -77.51 -10.76 59.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 72.420000000000002 110.896 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 88.5 m -112.34 -32.84 6.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 74.420000000000002 111.15 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -51.9 -38.14 55.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 70.120000000000005 110.94 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.124 -0.489 . . . . 72.409999999999997 110.877 -179.981 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.42 ' O ' HG12 ' A' ' 8' ' ' VAL . 10.8 t . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.803 0.335 . . . . 64.230000000000004 111.129 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.5 tt -56.12 -23.46 15.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 64.439999999999998 111.138 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -69.16 -32.99 72.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 73.129999999999995 110.946 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.3 mt -90.3 -20.14 23.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.471 . . . . 75.120000000000005 110.912 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -87.83 -25.63 23.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.474 . . . . 62.439999999999998 110.912 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -95.71 -17.16 21.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 64.230000000000004 110.847 -179.853 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -91.79 -22.84 19.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 52.310000000000002 111.11 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -84.09 2.55 38.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 72.299999999999997 110.897 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 11.3 ptp180 -110.18 -37.25 5.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 73.120000000000005 110.892 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -102.86 16.2 54.69 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.746 -0.74 . . . . 43.240000000000002 112.489 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.438 ' O ' HG12 ' A' ' 18' ' ' VAL . 3.5 t -150.1 26.83 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.76 0.314 . . . . 71.420000000000002 111.104 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 26.2 mm100 -145.51 -76.51 0.21 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.491 . . . . 63.43 110.918 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.5 mt -85.75 -10.37 55.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 71.219999999999999 110.917 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 98.5 m -110.48 -28.0 8.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 53.420000000000002 111.132 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -57.74 -49.68 75.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 74.030000000000001 110.954 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 75.25 110.919 179.996 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.4 t . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.778 0.323 . . . . 74.439999999999998 111.122 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 10.6 tp -60.79 -18.63 17.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 65.120000000000005 111.152 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -66.89 -33.43 75.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 64.430000000000007 110.968 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.472 HD11 ' CE1' ' A' ' 12' ' ' TYR . 1.1 pp -89.56 -28.05 19.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 70.319999999999993 110.926 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.472 ' CE1' HD11 ' A' ' 11' ' ' LEU . 21.0 m-85 -75.28 -25.41 57.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 72.319999999999993 110.918 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.83 -20.66 19.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 72.340000000000003 110.846 -179.845 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.41 -21.67 27.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 62.409999999999997 111.065 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -82.94 1.12 41.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 73.030000000000001 110.888 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.47 -44.57 3.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.467 . . . . 74.430000000000007 110.856 -179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -90.33 16.2 58.12 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.701 -0.761 . . . . 72.540000000000006 112.468 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.458 ' O ' HG12 ' A' ' 18' ' ' VAL . 3.7 t -144.85 11.48 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.754 0.311 . . . . 74.329999999999998 111.1 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -134.11 -75.78 0.47 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 63.030000000000001 110.872 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.94 -16.71 59.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 63.310000000000002 110.94 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.5 m -107.55 -23.97 11.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 72.209999999999994 111.154 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.404 ' HB2' ' HA ' ' A' ' 18' ' ' VAL . 21.1 t80 -57.21 -43.37 82.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.187 -0.46 . . . . 64.040000000000006 110.951 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.118 -0.492 . . . . 73.219999999999999 110.919 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.88 0.371 . . . . 74.099999999999994 110.887 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 8.8 mmtm -96.86 165.57 12.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 70.329999999999998 110.86 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -128.16 -58.43 1.21 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 70.230000000000004 110.888 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -71.45 -25.82 62.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 74.400000000000006 110.884 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 63.8 t -95.08 -37.88 8.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 55.020000000000003 111.173 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -74.94 -6.6 50.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 75.340000000000003 111.068 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 1.6 ttp -101.47 -25.22 14.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 75.209999999999994 110.862 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.414 ' O ' HG12 ' A' ' 8' ' ' VAL . 12.8 t -108.14 -7.1 10.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 74.310000000000002 111.108 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 6.1 tp -51.43 -29.86 9.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.479 . . . . 62.229999999999997 111.135 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 17.4 m95 -57.0 -47.42 80.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 72.319999999999993 110.912 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 16.8 mt -75.04 -30.74 61.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.234 -0.439 . . . . 73.219999999999999 110.929 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -77.0 -13.1 60.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.466 . . . . 64.120000000000005 110.914 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.82 25.32 7.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 72.0 110.832 -179.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -118.74 -31.28 4.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 51.43 111.098 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -82.65 0.79 41.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 75.140000000000001 110.832 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.81 -44.28 3.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 73.109999999999999 110.843 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -90.2 15.8 58.85 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.777 -0.725 . . . . 71.329999999999998 112.515 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.442 ' O ' HG12 ' A' ' 18' ' ' VAL . 3.6 t -144.82 11.56 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.793 0.33 . . . . 63.100000000000001 111.087 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -134.31 -75.82 0.47 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 74.040000000000006 110.875 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.517 ' HA ' HD22 ' A' ' 27' ' ' LEU . 0.4 OUTLIER -75.84 -16.68 60.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 72.219999999999999 110.903 -179.935 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.2 m -107.68 -23.94 11.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 73.019999999999996 111.158 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.406 ' HB2' ' HA ' ' A' ' 18' ' ' VAL . 21.0 t80 -57.28 -42.97 82.66 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.228 -0.442 . . . . 71.030000000000001 110.938 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -51.6 -55.48 19.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 74.230000000000004 110.899 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.42 ' O ' HG23 ' A' ' 25' ' ' THR . 7.3 t-80 63.33 38.2 10.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.484 . . . . 63.399999999999999 110.845 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.42 HG23 ' O ' ' A' ' 24' ' ' HIS . 0.0 OUTLIER -176.9 -65.9 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 54.329999999999998 111.134 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 1.4 ttm -80.39 -68.17 0.7 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 74.319999999999993 110.881 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.517 HD22 ' HA ' ' A' ' 20' ' ' LEU . 0.7 OUTLIER -68.6 -23.66 64.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 53.039999999999999 110.931 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -51.86 -70.54 0.08 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 64.319999999999993 110.926 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.3 mttp -90.1 -31.13 17.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 73.319999999999993 110.886 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.498 ' HD2' HD23 ' A' ' 27' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 54.32 110.846 179.823 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 3.3 mmtp . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.82 0.343 . . . . 75.310000000000002 110.892 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 9.8 mtmt -102.87 169.57 8.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 65.120000000000005 110.858 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 4.7 mtm-85 -131.51 -55.17 1.02 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 75.150000000000006 110.873 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -70.0 -43.85 70.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 72.239999999999995 110.927 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.42 ' O ' HG12 ' A' ' 5' ' ' VAL . 3.2 t -95.54 27.3 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.109 -0.496 . . . . 63.329999999999998 111.125 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -116.9 -24.39 7.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 53.420000000000002 111.056 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.87 -23.26 22.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 74.140000000000001 110.858 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.409 ' O ' HG12 ' A' ' 8' ' ' VAL . 13.1 t -107.44 -6.99 10.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.244 -0.435 . . . . 70.319999999999993 111.141 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.0 tt -51.3 -29.95 9.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 75.209999999999994 111.128 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 17.0 m95 -56.75 -47.36 80.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 71.519999999999996 110.921 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 58.0 mt -75.31 -31.05 60.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.442 . . . . 72.430000000000007 110.885 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -77.12 -11.64 59.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 73.239999999999995 110.879 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -126.22 25.46 6.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.487 . . . . 70.230000000000004 110.84 -179.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -118.41 -32.41 4.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 75.430000000000007 111.123 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -82.93 1.11 41.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 74.140000000000001 110.882 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.25 -44.24 3.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 75.120000000000005 110.866 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -90.17 15.64 59.2 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.742 -0.742 . . . . 42.210000000000001 112.468 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.449 ' O ' HG12 ' A' ' 18' ' ' VAL . 3.6 t -144.9 11.66 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.758 0.313 . . . . 73.040000000000006 111.124 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -134.51 -75.75 0.46 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 55.119999999999997 110.956 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -75.83 -16.59 60.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 44.219999999999999 110.888 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 10.3 m -107.8 -23.98 11.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 64.150000000000006 111.13 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.406 ' HB2' ' HA ' ' A' ' 18' ' ' VAL . 11.9 t80 -57.24 -42.77 82.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.436 . . . . 74.310000000000002 110.913 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -51.62 142.71 13.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.104 -0.498 . . . . 72.349999999999994 110.905 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -179.26 -48.81 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 72.25 110.832 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.04 -41.71 0.39 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 61.420000000000002 111.176 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.8 -74.54 0.12 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 62.340000000000003 110.92 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.7 mp -75.99 -23.44 55.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 74.310000000000002 110.867 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -51.84 -74.48 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 61.119999999999997 110.896 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.0 ptpt -113.28 33.2 5.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 43.549999999999997 110.93 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 70.6 mmtt . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 74.25 110.896 179.919 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 11.8 mtmt . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.837 0.351 . . . . 73.349999999999994 110.868 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.588 ' HB2' ' HB2' ' A' ' 6' ' ' ALA . 3.3 mmtt -110.45 162.6 14.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.441 . . . . 42.229999999999997 110.877 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -125.85 -38.84 2.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 71.150000000000006 110.889 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.484 ' O ' HG23 ' A' ' 8' ' ' VAL . 6.1 m-85 -70.14 -74.6 0.13 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 72.230000000000004 110.905 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 14.6 p -65.49 -21.05 28.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 53.420000000000002 111.126 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.588 ' HB2' ' HB2' ' A' ' 2' ' ' LYS . . . -74.17 -11.74 60.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 74.430000000000007 111.123 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -114.1 -15.77 12.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.44 . . . . 61.140000000000001 110.874 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 4' ' ' TYR . 13.2 t -107.08 -7.03 10.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 74.019999999999996 111.141 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.2 tt -51.14 -30.41 9.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 74.129999999999995 111.176 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 16.3 m95 -56.09 -46.48 79.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.481 . . . . 73.430000000000007 110.904 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -76.82 -30.79 56.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.439 . . . . 75.510000000000005 110.918 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -78.54 -7.42 57.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.121 -0.49 . . . . 64.030000000000001 110.951 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.11 24.09 5.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.103 -0.499 . . . . 64.239999999999995 110.892 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -118.62 -30.11 5.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 70.200000000000003 111.132 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -85.74 4.81 35.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 53.109999999999999 110.846 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 15.7 ptp180 -110.71 -39.88 4.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 72.25 110.882 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -100.88 14.43 58.76 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.705 -0.759 . . . . 64.319999999999993 112.515 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.437 ' O ' HG12 ' A' ' 18' ' ' VAL . 3.5 t -148.79 28.87 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.766 0.317 . . . . 64.239999999999995 111.1 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 17.8 tt0 -148.82 -76.19 0.16 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 73.120000000000005 110.908 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -84.77 -10.3 57.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 73.219999999999999 110.95 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 94.4 m -112.22 -28.34 7.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 73.530000000000001 111.115 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.637 ' HD2' HD12 ' A' ' 27' ' ' LEU . 1.1 t80 -55.96 -47.64 77.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 71.230000000000004 110.897 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -51.24 117.15 2.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 72.430000000000007 110.886 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -179.16 -35.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.484 . . . . 73.420000000000002 110.862 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.6 m -155.53 -41.29 0.08 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 63.350000000000001 111.154 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.96 34.15 2.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 75.120000000000005 110.872 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.637 HD12 ' HD2' ' A' ' 22' ' ' TYR . 0.5 OUTLIER -179.0 -35.07 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 74.329999999999998 110.938 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.01 -67.31 0.26 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 73.299999999999997 110.89 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 9.4 mttt -104.15 -33.17 8.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 73.019999999999996 110.918 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 74.120000000000005 110.959 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.818 0.342 . . . . 72.219999999999999 110.87 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.44 ' HB3' ' HB2' ' A' ' 6' ' ' ALA . 0.0 OUTLIER -102.19 164.25 11.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.281 -0.418 . . . . 71.040000000000006 110.907 179.866 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.5 ptt-85 -129.5 -39.4 1.48 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.26 -0.427 . . . . 71.319999999999993 110.846 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -70.93 -71.08 0.27 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 74.430000000000007 110.889 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 25.9 t -69.92 -23.88 26.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.106 -0.497 . . . . 62.009999999999998 111.101 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.44 ' HB2' ' HB3' ' A' ' 2' ' ' LYS . . . -75.1 -6.25 48.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 70.340000000000003 111.125 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 5.2 mtt -109.47 -19.1 13.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.429 . . . . 72.409999999999997 110.886 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 12.5 t -109.1 -11.02 11.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 71.329999999999998 111.15 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.9 tp -51.26 -30.15 9.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 65.530000000000001 111.111 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 15.7 m95 -55.44 -46.13 76.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 74.5 110.905 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 34.7 mt -76.76 -32.85 58.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 62.200000000000003 110.907 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -75.61 -9.48 58.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.237 -0.438 . . . . 74.040000000000006 110.947 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.4 t -115.97 -19.83 10.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.101 -0.499 . . . . 70.319999999999993 110.825 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -85.84 -20.43 29.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 40.25 111.131 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -86.7 6.09 32.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 73.25 110.858 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.8 tpp180 -111.13 -41.67 4.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 62.229999999999997 110.88 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -99.48 14.25 60.87 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.811 -0.709 . . . . 64.549999999999997 112.445 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.439 ' O ' HG12 ' A' ' 18' ' ' VAL . 3.5 t -148.68 29.19 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.773 0.321 . . . . 74.0 111.136 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 77.9 mm-40 -149.22 -76.34 0.16 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 74.129999999999995 110.909 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -84.66 -10.28 57.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.198 -0.456 . . . . 75.409999999999997 110.942 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 90.5 m -112.41 -28.01 8.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.476 . . . . 72.549999999999997 111.125 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -56.22 -47.53 78.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.462 . . . . 72.340000000000003 110.936 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -51.35 168.78 0.06 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.103 -0.499 . . . . 65.120000000000005 110.891 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.424 ' O ' HG23 ' A' ' 25' ' ' THR . 1.9 t60 63.27 26.59 15.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 71.439999999999998 110.861 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.424 HG23 ' O ' ' A' ' 24' ' ' HIS . 0.0 OUTLIER -170.92 -73.59 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.2 -0.455 . . . . 73.319999999999993 111.151 -179.91 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 14.2 mtt -104.2 48.99 0.83 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 64.099999999999994 110.86 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -178.0 -35.5 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.258 -0.428 . . . . 61.130000000000003 110.947 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -67.59 -57.52 6.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.471 . . . . 70.239999999999995 110.874 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.9 mtmp? -74.48 -45.07 48.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 70.430000000000007 110.911 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 74.540000000000006 110.927 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 10.2 mmtt . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.849 0.357 . . . . 73.530000000000001 110.914 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -80.61 160.3 25.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 63.530000000000001 110.908 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.71 -58.17 1.92 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 74.25 110.848 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -68.85 -40.2 79.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 74.5 110.911 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.421 ' O ' HG12 ' A' ' 5' ' ' VAL . 3.2 t -95.57 27.99 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.115 -0.493 . . . . 72.439999999999998 111.136 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -116.81 -24.15 7.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 74.239999999999995 111.082 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.92 -23.42 22.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 75.420000000000002 110.873 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.412 ' O ' HG12 ' A' ' 8' ' ' VAL . 13.1 t -107.38 -7.11 10.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 72.510000000000005 111.135 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.7 tt -51.07 -30.66 9.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 64.530000000000001 111.148 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 16.2 m95 -55.73 -46.29 77.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.479 . . . . 72.420000000000002 110.905 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 12.9 mt -77.17 -31.09 55.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 71.329999999999998 110.923 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -78.34 -6.78 56.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 63.409999999999997 110.877 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.28 25.11 5.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 64.150000000000006 110.895 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -115.43 -39.41 3.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.087 -0.506 . . . . 74.439999999999998 111.085 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -81.86 -0.06 41.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 71.299999999999997 110.854 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.5 mtm180 -112.95 -43.59 3.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 75.349999999999994 110.873 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -90.1 15.31 59.9 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.743 -0.741 . . . . 65.439999999999998 112.433 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.454 ' O ' HG12 ' A' ' 18' ' ' VAL . 3.7 t -144.72 11.29 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.778 0.323 . . . . 70.109999999999999 111.137 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.404 ' O ' HD12 ' A' ' 27' ' ' LEU . 33.1 tt0 -133.11 -75.8 0.49 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 63.229999999999997 110.934 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.4 pp -76.46 -16.95 59.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 73.510000000000005 110.931 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 10.1 m -106.69 -23.86 12.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 65.120000000000005 111.108 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.404 ' HB2' ' HA ' ' A' ' 18' ' ' VAL . 20.4 t80 -57.46 -44.94 85.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 63.240000000000002 110.953 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -52.01 -55.22 21.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.089 -0.505 . . . . 74.340000000000003 110.878 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.6 t60 63.86 36.0 10.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 73.219999999999999 110.839 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.6 t -178.86 -40.65 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 71.239999999999995 111.119 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 2.6 mtt -99.44 -72.94 0.64 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 72.230000000000004 110.88 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.404 HD12 ' O ' ' A' ' 19' ' ' GLN . 51.3 mt -72.46 -19.61 61.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 71.129999999999995 110.955 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -51.96 -63.82 1.02 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 74.129999999999995 110.915 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.8 mttp -98.33 -16.28 19.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 72.239999999999995 110.903 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 22.0 mmmt . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 73.140000000000001 110.955 179.903 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 2.8 mttp . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.824 0.345 . . . . 65.540000000000006 110.917 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.579 ' HB2' ' HB2' ' A' ' 6' ' ' ALA . 0.0 OUTLIER -88.85 -170.98 3.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 75.420000000000002 110.885 179.884 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.499 ' O ' HG23 ' A' ' 5' ' ' VAL . 13.8 mmt-85 -77.07 63.13 2.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 73.219999999999999 110.875 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 57.88 24.9 11.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 75.549999999999997 110.941 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 3' ' ' ARG . 61.3 t -112.2 -30.64 2.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.088 -0.506 . . . . 75.140000000000001 111.15 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.579 ' HB2' ' HB2' ' A' ' 2' ' ' LYS . . . -74.49 -13.92 60.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 74.439999999999998 111.064 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -106.67 -17.72 14.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 75.099999999999994 110.858 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.411 ' O ' HG12 ' A' ' 8' ' ' VAL . 13.1 t -107.61 -7.13 10.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 55.439999999999998 111.158 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.0 tt -51.35 -30.02 9.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 54.119999999999997 111.126 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 16.8 m95 -57.04 -45.11 83.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 72.140000000000001 110.9 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 32.9 mt -78.17 -29.8 48.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 60.450000000000003 110.923 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -79.36 -8.76 59.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.451 . . . . 74.450000000000003 110.93 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.9 t -116.16 -20.54 9.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.076 -0.511 . . . . 44.340000000000003 110.833 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -85.35 -21.18 29.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 55.310000000000002 111.097 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -82.63 1.37 38.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 75.219999999999999 110.882 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.1 ttm180 -111.16 -40.44 4.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 74.230000000000004 110.83 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -98.39 18.62 56.75 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.782 -0.723 . . . . 73.019999999999996 112.507 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.429 ' O ' HG12 ' A' ' 18' ' ' VAL . 3.1 t -150.6 20.75 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.804 0.335 . . . . 73.430000000000007 111.137 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -146.3 -76.26 0.2 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 72.140000000000001 110.937 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.33 -9.95 59.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 64.530000000000001 110.949 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 99.5 m -113.6 -30.2 6.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 72.230000000000004 111.178 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -53.58 -40.85 65.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 73.329999999999998 110.94 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -54.25 174.08 0.06 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 51.439999999999998 110.848 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.49 ' O ' HG23 ' A' ' 25' ' ' THR . 3.9 t-80 63.38 52.67 2.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.102 -0.499 . . . . 62.340000000000003 110.865 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.49 HG23 ' O ' ' A' ' 24' ' ' HIS . 0.0 OUTLIER -178.31 -73.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 73.319999999999993 111.152 -179.927 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.05 -62.75 1.26 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 73.409999999999997 110.886 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.51 -25.97 68.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 62.399999999999999 110.882 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -64.55 -72.62 0.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 72.019999999999996 110.909 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.79 33.21 1.7 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 74.209999999999994 110.884 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 73.409999999999997 110.933 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.87 0.366 . . . . 64.5 110.892 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.411 ' HD3' ' HB2' ' A' ' 6' ' ' ALA . 0.0 OUTLIER -82.73 -28.42 30.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 63.520000000000003 110.851 179.926 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 69.27 -75.46 0.07 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 75.409999999999997 110.849 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.574 ' O ' HG23 ' A' ' 8' ' ' VAL . 6.6 m-85 -67.88 -62.43 1.41 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.18 -0.464 . . . . 70.409999999999997 110.924 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 24.5 t -56.61 -34.75 42.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.111 -0.495 . . . . 72.219999999999999 111.141 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.411 ' HB2' ' HD3' ' A' ' 2' ' ' LYS . . . -74.76 -13.68 60.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 45.210000000000001 111.141 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 5.2 ttm -104.66 -19.0 14.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 71.310000000000002 110.871 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.574 HG23 ' O ' ' A' ' 4' ' ' TYR . 12.7 t -107.39 -7.21 10.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.431 . . . . 75.439999999999998 111.115 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.6 tt -51.21 -30.29 9.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 73.239999999999995 111.169 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 16.4 m95 -56.14 -46.51 79.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 74.129999999999995 110.874 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 13.8 mt -76.88 -30.92 56.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.262 -0.426 . . . . 65.129999999999995 110.886 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -78.24 -7.69 57.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.2 -0.454 . . . . 62.119999999999997 110.965 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.64 25.26 5.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.097 -0.501 . . . . 65.420000000000002 110.875 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -116.5 -37.06 3.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.491 . . . . 74.150000000000006 111.114 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -82.5 0.65 41.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 53.329999999999998 110.891 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -113.35 -44.0 3.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 73.140000000000001 110.856 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -89.98 15.27 59.8 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.753 -0.737 . . . . 74.030000000000001 112.525 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.456 ' O ' HG12 ' A' ' 18' ' ' VAL . 3.6 t -144.85 11.63 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.752 0.311 . . . . 74.510000000000005 111.114 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 32.2 tp60 -134.48 -75.85 0.46 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 63.100000000000001 110.878 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -75.68 -16.6 60.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 74.329999999999998 110.955 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.3 m -107.86 -23.97 11.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 63.509999999999998 111.145 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.428 ' HE2' HD23 ' A' ' 27' ' ' LEU . 19.5 t80 -57.33 -42.6 82.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 73.010000000000005 110.949 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.58 142.8 13.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 30.039999999999999 110.889 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -179.32 -39.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 64.109999999999999 110.861 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -155.17 -41.3 0.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 74.450000000000003 111.136 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 3.7 mtm -70.34 -57.11 5.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.434 . . . . 64.040000000000006 110.859 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.428 HD23 ' HE2' ' A' ' 22' ' ' TYR . 1.4 mm? -92.28 -23.05 19.43 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.254 -0.43 . . . . 64.230000000000004 110.961 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -51.8 -67.77 0.22 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.489 . . . . 72.439999999999998 110.958 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 9.8 pttm -142.42 32.35 1.49 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 74.510000000000005 110.893 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.2 mptp? . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 65.510000000000005 110.904 179.834 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.86 0.362 . . . . 71.049999999999997 110.879 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.595 ' HB2' ' HB2' ' A' ' 6' ' ' ALA . 9.6 mmtt -108.05 154.19 22.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 72.219999999999999 110.896 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 10.4 mtm-85 -110.63 -59.9 1.89 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 73.209999999999994 110.854 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -71.19 -43.06 68.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 75.329999999999998 110.929 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 4.7 t -96.15 44.46 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.112 -0.494 . . . . 70.239999999999995 111.15 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.595 ' HB2' ' HB2' ' A' ' 2' ' ' LYS . . . -148.4 -41.91 0.16 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 71.239999999999995 111.105 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 6.7 mtt -87.9 -18.18 29.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 70.129999999999995 110.892 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.418 ' O ' HG12 ' A' ' 8' ' ' VAL . 12.5 t -106.56 -6.5 10.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 53.200000000000003 111.098 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.537 HG22 ' O ' ' A' ' 6' ' ' ALA . 8.3 tp -50.98 -32.87 12.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 71.349999999999994 111.168 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 14.4 m95 -53.79 -46.74 71.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 74.310000000000002 110.937 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.6 mt -76.45 -31.25 57.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.439 . . . . 74.230000000000004 110.914 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -79.13 -3.13 43.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.179 -0.464 . . . . 61.229999999999997 110.895 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -135.15 31.81 3.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 72.510000000000005 110.848 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -125.16 -38.83 2.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 64.340000000000003 111.096 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.506 ' HA ' HG12 ' A' ' 18' ' ' VAL . 33.5 p90 -55.52 -32.52 62.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 64.140000000000001 110.883 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 8.8 mtm180 -79.57 -34.03 41.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 74.109999999999999 110.875 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -99.43 18.93 55.66 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.779 -0.724 . . . . 71.109999999999999 112.517 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.506 HG12 ' HA ' ' A' ' 15' ' ' PHE . 3.5 p -132.07 1.85 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.842 0.353 . . . . 64.319999999999993 111.157 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -123.43 -75.8 0.6 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 71.519999999999996 110.933 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.43 -18.19 60.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 71.439999999999998 110.937 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -104.68 -29.07 10.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 71.310000000000002 111.165 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -52.09 -42.4 63.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.232 -0.44 . . . . 74.030000000000001 110.975 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.58 -171.66 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.102 -0.499 . . . . 72.129999999999995 110.9 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 33.7 t60 64.4 45.66 3.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 71.239999999999995 110.859 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.2 t 178.98 -41.93 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.184 -0.462 . . . . 75.510000000000005 111.169 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -116.62 -68.18 0.94 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 72.510000000000005 110.905 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.12 -25.84 67.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.43 . . . . 62.509999999999998 110.916 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 35.5 tp60 -62.28 -74.51 0.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 74.340000000000003 110.896 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.3 pttt -95.9 32.97 1.76 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 71.099999999999994 110.923 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.6 mptt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 74.010000000000005 110.884 179.864 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 18.7 mmtp . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.876 0.369 . . . . 72.129999999999995 110.888 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 10.8 mmpt? -64.63 -32.47 74.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 75.430000000000007 110.88 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 69.29 -75.43 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 74.340000000000003 110.811 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -68.72 -42.17 78.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 71.030000000000001 110.952 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.406 HG12 ' O ' ' A' ' 5' ' ' VAL . 3.4 t -95.19 34.14 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.105 -0.498 . . . . 73.140000000000001 111.124 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -132.47 -39.72 1.01 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 71.340000000000003 111.14 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.86 -24.52 22.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.438 . . . . 72.120000000000005 110.92 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.41 ' O ' HG12 ' A' ' 8' ' ' VAL . 13.0 t -107.71 -7.2 10.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 64.519999999999996 111.077 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.6 tt -51.34 -30.16 10.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 74.209999999999994 111.118 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 16.5 m95 -56.77 -45.54 82.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.452 . . . . 70.510000000000005 110.91 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.2 mt -77.67 -30.12 51.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 72.409999999999997 110.934 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -78.88 -9.0 59.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.47 . . . . 73.239999999999995 110.937 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.3 t -116.16 -19.63 10.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.105 -0.498 . . . . 73.299999999999997 110.865 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.13 -20.83 28.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 61.43 111.079 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -86.76 5.86 34.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 71.439999999999998 110.864 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 3.2 ttm180 -117.13 -45.7 2.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 65.040000000000006 110.872 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -90.31 16.04 58.46 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.722 -0.752 . . . . 62.020000000000003 112.459 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.444 ' O ' HG12 ' A' ' 18' ' ' VAL . 3.6 t -144.67 11.5 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.791 0.329 . . . . 73.120000000000005 111.097 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.9 tp60 -134.3 -75.74 0.47 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 75.349999999999994 110.917 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.77 -16.72 60.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.215 -0.448 . . . . 51.109999999999999 110.904 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.3 m -107.68 -24.01 11.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 25.32 111.181 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.581 ' HE2' HD13 ' A' ' 27' ' ' LEU . 23.0 t80 -57.25 -42.75 82.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 64.120000000000005 110.864 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.63 142.36 14.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 63.329999999999998 110.873 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -179.25 -49.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 74.129999999999995 110.866 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -140.45 -41.72 0.41 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 71.540000000000006 111.156 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.07 -74.46 0.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 75.510000000000005 110.869 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.581 HD13 ' HE2' ' A' ' 22' ' ' TYR . 1.9 mp -74.7 -24.37 58.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 70.25 110.88 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -51.87 -74.34 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.431 . . . . 61.530000000000001 110.933 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 26.7 mtpt -110.26 31.39 5.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 70.340000000000003 110.886 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.1 mmmm . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 72.150000000000006 110.896 179.835 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.847 0.356 . . . . 71.310000000000002 110.866 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.457 ' O ' ' HB3' ' A' ' 6' ' ' ALA . 4.7 mmpt? -113.55 150.85 32.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 62.340000000000003 110.883 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -108.89 -61.14 1.65 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 73.450000000000003 110.891 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -71.39 -34.14 70.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.228 -0.442 . . . . 74.420000000000002 110.905 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.9 t -78.82 -42.43 24.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 74.420000000000002 111.093 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.457 ' HB3' ' O ' ' A' ' 2' ' ' LYS . . . -74.23 -7.62 53.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 74.430000000000007 111.062 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.92 -30.34 17.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 75.019999999999996 110.874 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.403 ' O ' HG12 ' A' ' 8' ' ' VAL . 12.6 t -109.41 -7.19 11.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 73.109999999999999 111.139 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.3 tt -51.31 -30.19 9.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 55.219999999999999 111.134 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 16.5 m95 -56.29 -46.41 79.77 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.171 -0.468 . . . . 63.5 110.87 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 34.9 mt -76.93 -30.83 56.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 71.230000000000004 110.951 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -78.27 -7.98 57.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 72.530000000000001 110.96 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.27 25.22 5.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.096 -0.502 . . . . 73.019999999999996 110.855 -179.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -115.75 -38.52 3.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 73.140000000000001 111.096 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -81.68 -0.24 41.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 74.030000000000001 110.883 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.9 ttm180 -113.28 -43.18 3.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 73.049999999999997 110.892 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -90.29 15.86 58.86 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.765 -0.731 . . . . 52.229999999999997 112.457 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.451 ' O ' HG12 ' A' ' 18' ' ' VAL . 3.8 t -145.0 10.3 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.853 0.359 . . . . 75.430000000000007 111.169 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 24.2 mm-40 -135.77 -76.12 0.44 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 74.510000000000005 110.948 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.4 mt -72.84 -17.75 61.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 73.120000000000005 110.917 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 17.0 m -107.96 -23.8 11.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 60.200000000000003 111.156 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.424 ' HB2' ' HA ' ' A' ' 18' ' ' VAL . 22.5 t80 -60.7 -32.05 71.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 75.040000000000006 110.928 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -50.27 139.72 14.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.131 -0.486 . . . . 73.540000000000006 110.876 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -174.46 -39.83 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.491 . . . . 63.100000000000001 110.863 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -139.81 -49.18 0.47 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 63.43 111.183 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 20.3 mmt -82.78 -71.91 0.47 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 73.439999999999998 110.85 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.06 -26.47 67.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 74.340000000000003 110.941 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.12 -59.24 5.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 74.540000000000006 110.873 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.7 mttm -81.21 -31.78 33.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 54.450000000000003 110.899 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 73.319999999999993 110.913 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 1.4 mppt? . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.875 0.369 . . . . 73.120000000000005 110.922 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 6.6 mttt -97.78 165.41 11.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 75.310000000000002 110.909 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.82 -53.53 1.06 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.22 -0.445 . . . . 44.119999999999997 110.872 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -68.93 -48.0 64.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 75.209999999999994 110.92 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.41 ' O ' HG12 ' A' ' 5' ' ' VAL . 3.1 t -95.39 26.29 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.487 . . . . 62.210000000000001 111.131 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -116.83 -24.26 7.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 71.299999999999997 111.148 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 3.2 mtt -88.88 -23.27 22.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 44.32 110.904 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.412 ' O ' HG12 ' A' ' 8' ' ' VAL . 13.1 t -107.46 -6.97 10.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 74.329999999999998 111.082 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -51.39 -29.9 9.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 61.020000000000003 111.138 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 17.4 m95 -56.93 -47.56 80.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 72.310000000000002 110.936 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.3 mp -74.89 -30.84 61.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 72.120000000000005 110.895 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -76.97 -12.98 60.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 72.109999999999999 110.872 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.98 25.41 7.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 54.200000000000003 110.894 -179.845 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -119.03 -30.98 4.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.108 -0.496 . . . . 75.219999999999999 111.085 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -82.49 0.53 42.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 75.120000000000005 110.859 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 9.5 mtm180 -113.28 -43.75 3.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 75.049999999999997 110.887 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -90.33 16.26 57.95 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.72 -0.752 . . . . 70.120000000000005 112.493 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.45 ' O ' HG12 ' A' ' 18' ' ' VAL . 3.8 t -145.02 10.41 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.827 0.346 . . . . 63.439999999999998 111.169 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 19.7 mm-40 -135.9 -76.13 0.44 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 74.019999999999996 110.866 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.6 tp -72.89 -17.73 61.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.267 -0.424 . . . . 72.109999999999999 110.905 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.4 m -107.94 -23.75 11.9 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.188 -0.46 . . . . 74.040000000000006 111.186 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.428 ' HB2' ' HA ' ' A' ' 18' ' ' VAL . 24.1 t80 -60.68 -32.13 71.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 75.540000000000006 110.965 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -50.22 143.57 8.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.097 -0.502 . . . . 71.530000000000001 110.908 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -176.4 -37.8 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.164 -0.471 . . . . 73.439999999999998 110.893 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.6 t -155.36 -41.74 0.08 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 75.030000000000001 111.107 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 2.1 ttt -79.82 -33.56 40.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 74.430000000000007 110.899 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.4 tp -110.79 -26.97 9.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 70.150000000000006 110.895 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -53.26 -69.3 0.12 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 64.25 110.957 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.58 -27.02 13.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 65.230000000000004 110.899 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.5 mtpt . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.429 . . . . 70.299999999999997 110.871 179.809 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.786 0.327 . . . . 75.219999999999999 110.856 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.589 ' HB2' ' HB2' ' A' ' 6' ' ' ALA . 9.5 mmpt? -95.58 169.1 10.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.249 -0.432 . . . . 72.430000000000007 110.932 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 6.5 ttm-85 -123.91 -54.77 1.72 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.267 -0.424 . . . . 71.120000000000005 110.828 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -68.12 -70.25 0.27 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 64.5 110.944 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 20.7 m -56.96 -28.83 29.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.097 -0.501 . . . . 51.210000000000001 111.129 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.589 ' HB2' ' HB2' ' A' ' 2' ' ' LYS . . . -76.01 -18.21 59.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 43.039999999999999 111.098 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 25.0 ttm -89.32 -10.95 44.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 64.349999999999994 110.879 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.8 t -116.72 -21.79 4.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.256 -0.429 . . . . 55.299999999999997 111.167 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 10.0 tp -58.02 -26.88 30.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 73.400000000000006 111.093 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 16.8 m95 -57.47 -45.37 84.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.185 -0.461 . . . . 74.340000000000003 110.889 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.491 HD11 ' CE1' ' A' ' 12' ' ' TYR . 0.9 OUTLIER -75.69 -29.18 58.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 71.230000000000004 110.952 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.491 ' CE1' HD11 ' A' ' 11' ' ' LEU . 21.9 m-85 -75.72 -18.92 59.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 72.129999999999995 110.94 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.37 -18.78 13.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.094 -0.503 . . . . 45.100000000000001 110.85 -179.84 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.99 -20.73 30.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.494 . . . . 54.420000000000002 111.119 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -81.94 0.72 38.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 64.349999999999994 110.899 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.14 -40.71 4.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 75.430000000000007 110.886 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -97.7 19.17 55.68 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.729 -0.748 . . . . 54.439999999999998 112.429 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.436 ' O ' HG12 ' A' ' 18' ' ' VAL . 3.2 t -150.78 19.36 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.767 0.318 . . . . 74.239999999999995 111.089 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 22.2 mm100 -145.84 -76.08 0.21 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 73.120000000000005 110.887 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.4 pp -77.61 -9.85 59.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 64.510000000000005 110.921 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 99.8 m -113.82 -31.66 6.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 73.040000000000006 111.142 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -52.63 -38.5 60.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 73.430000000000007 110.9 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -60.32 -169.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 64.120000000000005 110.924 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 64.44 17.25 10.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 74.219999999999999 110.839 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 10.2 t -176.31 32.04 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 74.230000000000004 111.128 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 179.3 -57.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 73.040000000000006 110.88 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -90.46 -30.65 17.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 64.420000000000002 110.912 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.37 -70.05 0.19 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 64.5 110.906 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 19.6 mttm -140.19 29.53 2.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 75.019999999999996 110.915 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.5 mmtt . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 75.310000000000002 110.901 179.893 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.877 0.37 . . . . 73.340000000000003 110.917 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.62 -38.23 73.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 65.420000000000002 110.846 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 69.24 -75.41 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 74.109999999999999 110.844 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -62.78 -44.38 96.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 75.319999999999993 110.921 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.424 ' O ' HG12 ' A' ' 5' ' ' VAL . 3.2 t -95.52 27.12 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.082 -0.508 . . . . 63.509999999999998 111.107 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.414 ' O ' HG22 ' A' ' 9' ' ' ILE . . . -116.75 -24.12 7.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 65.099999999999994 111.099 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.97 -23.31 22.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 71.519999999999996 110.879 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.411 HG12 ' O ' ' A' ' 8' ' ' VAL . 12.9 t -107.31 -7.05 10.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 74.430000000000007 111.155 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.414 HG22 ' O ' ' A' ' 6' ' ' ALA . 9.8 tp -51.18 -30.44 9.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 72.129999999999995 111.119 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 16.2 m95 -55.93 -46.65 78.41 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.176 -0.465 . . . . 64.340000000000003 110.856 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 12.6 mt -76.72 -31.16 56.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.267 -0.424 . . . . 63.25 110.876 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -78.18 -7.16 56.74 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.206 -0.452 . . . . 64.049999999999997 110.867 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.22 25.49 5.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 74.340000000000003 110.854 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -116.94 -36.81 3.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.49 . . . . 71.510000000000005 111.132 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -82.34 0.44 41.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 73.209999999999994 110.888 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -113.54 -43.65 3.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 72.420000000000002 110.886 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -90.21 15.72 59.05 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.748 -0.739 . . . . 42.200000000000003 112.43 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.444 ' O ' HG12 ' A' ' 18' ' ' VAL . 3.8 t -144.66 10.53 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.773 0.321 . . . . 72.420000000000002 111.081 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 70.8 mm-40 -131.91 -76.12 0.51 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 61.210000000000001 110.927 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -76.22 -17.74 59.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 72.140000000000001 110.887 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.5 m -105.3 -24.23 12.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 71.450000000000003 111.18 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.416 ' HB2' ' HA ' ' A' ' 18' ' ' VAL . 20.6 t80 -58.14 -44.05 87.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.452 . . . . 72.219999999999999 110.924 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.443 ' HB2' HD23 ' A' ' 27' ' ' LEU . 4.4 tt0 -56.31 133.84 53.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 74.510000000000005 110.87 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -179.11 -40.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 64.319999999999993 110.872 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.4 t -152.83 -41.83 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 64.109999999999999 111.14 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 3.1 mmt -74.62 -34.08 62.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 70.310000000000002 110.871 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.443 HD23 ' HB2' ' A' ' 23' ' ' GLU . 19.5 tp -114.76 -26.0 8.02 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.265 -0.425 . . . . 53.210000000000001 110.9 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 39.7 tt0 -52.14 -73.6 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 72.0 110.89 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.72 34.75 5.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 75.140000000000001 110.872 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 52.350000000000001 110.904 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 3.2 pttt . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.816 0.341 . . . . 73.010000000000005 110.922 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.504 ' CB ' ' HB2' ' A' ' 6' ' ' ALA . 26.1 mtpt -103.51 141.47 35.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 70.200000000000003 110.895 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 90.1 mtt180 -82.9 -64.39 1.18 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 74.319999999999993 110.889 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -91.17 148.08 22.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 64.040000000000006 110.958 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.464 ' O ' HG12 ' A' ' 5' ' ' VAL . 4.1 t 65.89 11.8 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 74.340000000000003 111.137 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.504 ' HB2' ' CB ' ' A' ' 2' ' ' LYS . . . -119.35 -21.99 7.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.483 . . . . 62.119999999999997 111.126 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.72 -23.67 25.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 70.349999999999994 110.857 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.402 ' O ' HG12 ' A' ' 8' ' ' VAL . 12.9 t -107.52 -7.07 10.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 72.329999999999998 111.148 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.432 HG22 ' O ' ' A' ' 6' ' ' ALA . 15.6 tt -51.21 -30.26 9.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 71.209999999999994 111.096 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 16.4 m95 -56.32 -46.66 79.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 71.340000000000003 110.906 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 94.4 mt -76.57 -30.71 57.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 52.229999999999997 110.936 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -78.49 -8.01 58.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 73.109999999999999 110.912 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.59 24.61 5.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.486 . . . . 64.230000000000004 110.836 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -118.96 -30.71 4.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 55.520000000000003 111.093 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -83.17 1.34 41.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 62.310000000000002 110.866 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 15.0 ptp180 -113.85 -44.02 3.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 74.420000000000002 110.848 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -90.32 16.13 58.25 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.738 -0.744 . . . . 61.219999999999999 112.523 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.458 ' O ' HG12 ' A' ' 18' ' ' VAL . 3.7 t -144.6 10.39 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.719 0.295 . . . . 75.409999999999997 111.115 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -131.73 -76.12 0.51 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 74.219999999999999 110.936 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -76.32 -17.7 59.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.173 -0.467 . . . . 74.510000000000005 110.923 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.5 m -105.28 -24.11 12.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.456 . . . . 72.010000000000005 111.149 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.409 ' HB2' ' HA ' ' A' ' 18' ' ' VAL . 21.3 t80 -58.24 -44.27 88.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 74.540000000000006 110.885 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -55.9 138.28 48.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 70.340000000000003 110.876 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -178.92 -51.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 74.099999999999994 110.849 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.2 t -135.53 -41.77 0.7 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 71.010000000000005 111.18 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 1.7 mtt -72.75 -73.51 0.2 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 74.219999999999999 110.91 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.6 tp -71.17 -25.9 62.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 64.409999999999997 110.92 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -52.08 -74.44 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 62.43 110.888 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.9 ptmt -107.74 33.54 4.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 74.420000000000002 110.872 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.4 mptt . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 53.219999999999999 110.88 179.843 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 1.9 mptt . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.854 0.359 . . . . 73.030000000000001 110.881 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.777 ' HB3' ' HB2' ' A' ' 6' ' ' ALA . 1.1 mtpp 63.18 16.48 9.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 72.140000000000001 110.885 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.3 ptt180 -67.37 87.64 0.19 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 74.450000000000003 110.904 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 62.13 16.59 8.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 71.140000000000001 110.927 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.421 HG23 ' HA ' ' A' ' 2' ' ' LYS . 15.3 m -117.18 -9.79 12.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 62.0 111.143 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.777 ' HB2' ' HB3' ' A' ' 2' ' ' LYS . . . -74.44 -17.17 60.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.475 . . . . 70.120000000000005 111.126 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -105.99 -9.22 17.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 53.219999999999999 110.887 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.1 t -111.81 -18.62 7.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.269 -0.423 . . . . 51.420000000000002 111.139 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.0 tt -52.82 -28.48 13.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 74.010000000000005 111.151 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.415 ' O ' ' HB2' ' A' ' 14' ' ' ALA . 16.8 m95 -56.31 -46.88 79.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.472 . . . . 75.239999999999995 110.902 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 9.1 mt -74.4 -32.84 62.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 70.099999999999994 110.919 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -73.87 -16.96 61.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 73.109999999999999 110.941 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.82 24.51 10.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.086 -0.506 . . . . 61.240000000000002 110.828 -179.816 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.415 ' HB2' ' O ' ' A' ' 10' ' ' TRP . . . -118.28 -29.45 5.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 61.340000000000003 111.073 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -85.53 4.63 35.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.255 -0.429 . . . . 63.109999999999999 110.912 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.68 -39.59 4.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 43.219999999999999 110.896 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -101.12 14.53 58.4 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.717 -0.754 . . . . 41.539999999999999 112.471 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.433 ' O ' HG12 ' A' ' 18' ' ' VAL . 3.5 t -148.88 28.78 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.801 0.334 . . . . 60.109999999999999 111.153 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -148.78 -76.18 0.16 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 74.329999999999998 110.885 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -84.75 -10.22 57.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 74.040000000000006 110.934 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 94.9 m -112.31 -28.35 7.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 43.420000000000002 111.107 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -55.97 -47.68 77.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.22 -0.445 . . . . 71.140000000000001 110.907 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -51.3 162.02 0.38 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 55.109999999999999 110.853 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 63.31 23.12 13.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 73.239999999999995 110.865 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.4 m -161.65 -68.17 0.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 74.340000000000003 111.177 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 7.7 mmt -111.66 29.07 8.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 54.520000000000003 110.885 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -150.02 -42.27 0.13 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 72.439999999999998 110.914 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 41.9 tp60 -65.31 -61.22 2.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 74.239999999999995 110.912 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 7.2 mtpp -118.6 60.16 0.8 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 54.210000000000001 110.918 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.1 mtpt . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 64.319999999999993 110.877 179.873 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 6.0 mmpt? . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.867 0.365 . . . . 71.299999999999997 110.877 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.777 ' HB3' ' HB2' ' A' ' 6' ' ' ALA . 6.8 mtmm 63.18 16.49 9.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 75.430000000000007 110.881 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.44 87.68 0.2 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 54.200000000000003 110.866 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 62.06 16.66 8.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.157 -0.474 . . . . 64.219999999999999 110.939 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.431 HG23 ' HA ' ' A' ' 2' ' ' LYS . 15.0 m -117.19 -9.74 12.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.497 . . . . 74.340000000000003 111.121 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.777 ' HB2' ' HB3' ' A' ' 2' ' ' LYS . . . -74.51 -17.21 60.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 75.109999999999999 111.08 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -105.94 -9.2 17.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 62.439999999999998 110.905 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.3 t -111.79 -18.59 7.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 74.129999999999995 111.126 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 11.2 tt -52.8 -28.52 13.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 72.219999999999999 111.155 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.421 ' O ' ' HB2' ' A' ' 14' ' ' ALA . 16.7 m95 -56.44 -46.77 80.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.471 . . . . 71.310000000000002 110.884 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -74.42 -32.77 62.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 54.149999999999999 110.931 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -73.91 -17.15 61.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.23 -0.441 . . . . 74.439999999999998 110.936 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.65 24.67 10.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.483 . . . . 74.409999999999997 110.901 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.421 ' HB2' ' O ' ' A' ' 10' ' ' TRP . . . -118.35 -29.61 5.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.09 -0.505 . . . . 71.140000000000001 111.066 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -84.06 2.74 37.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 64.219999999999999 110.904 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 12.6 ptp180 -110.03 -37.33 5.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 65.450000000000003 110.861 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -103.1 15.81 54.51 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.731 -0.747 . . . . 72.319999999999993 112.506 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.435 ' O ' HG12 ' A' ' 18' ' ' VAL . 3.5 t -149.84 27.6 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.814 0.34 . . . . 74.349999999999994 111.15 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 48.2 tp60 -146.29 -76.52 0.19 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 62.119999999999997 110.903 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -85.66 -10.73 55.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 71.010000000000005 110.931 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 98.0 m -110.47 -27.57 8.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.175 -0.466 . . . . 74.430000000000007 111.172 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -58.02 -49.39 77.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.182 -0.463 . . . . 75.340000000000003 110.895 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -51.77 118.39 3.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.107 -0.497 . . . . 75.099999999999994 110.891 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -177.43 -41.08 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.121 -0.49 . . . . 72.010000000000005 110.855 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.6 p -139.4 -45.5 0.45 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 72.219999999999999 111.094 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -81.09 -63.37 1.42 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 73.340000000000003 110.881 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.71 -26.0 61.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.275 -0.42 . . . . 71.099999999999994 110.965 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 48.7 tp60 -52.59 -71.94 0.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 70.439999999999998 110.886 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 20.3 mtmt -106.67 30.19 6.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 73.340000000000003 110.855 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 13.2 mmtt . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.28 -0.418 . . . . 73.409999999999997 110.915 179.873 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 8.8 mttp . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.869 0.366 . . . . 73.25 110.902 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.796 ' HB3' ' HB2' ' A' ' 6' ' ' ALA . 7.7 mmpt? 63.27 16.27 9.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 73.5 110.897 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 5.2 mtt180 -67.18 88.14 0.17 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 75.319999999999993 110.874 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 62.02 16.97 8.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.463 . . . . 73.409999999999997 110.912 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.662 ' HA ' HG12 ' A' ' 8' ' ' VAL . 10.8 p -117.86 -9.46 11.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.485 . . . . 61.539999999999999 111.098 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.796 ' HB2' ' HB3' ' A' ' 2' ' ' LYS . . . -74.31 -19.45 60.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.467 . . . . 53.140000000000001 111.116 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -97.33 -14.88 21.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 52.219999999999999 110.869 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.662 HG12 ' HA ' ' A' ' 5' ' ' VAL . 7.2 p -107.85 -16.84 8.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 62.409999999999997 111.087 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 13.7 tt -65.14 -27.19 41.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 71.519999999999996 111.096 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.443 ' O ' ' HB2' ' A' ' 14' ' ' ALA . 15.7 m95 -55.05 -42.49 72.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.201 -0.454 . . . . 64.439999999999998 110.93 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.9 mt -79.78 -33.95 40.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.262 -0.426 . . . . 72.239999999999995 110.883 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.436 ' CE2' HG22 ' A' ' 8' ' ' VAL . 21.5 m-85 -76.86 -5.11 47.06 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.203 -0.453 . . . . 75.310000000000002 110.951 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -131.8 25.06 4.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.077 -0.511 . . . . 73.239999999999995 110.876 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.443 ' HB2' ' O ' ' A' ' 10' ' ' TRP . . . -119.88 -31.94 4.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 75.420000000000002 111.111 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -85.3 4.38 35.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 74.439999999999998 110.906 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.3 mmt180 -110.66 -39.3 4.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.101 -0.5 . . . . 75.109999999999999 110.841 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -101.27 14.5 58.21 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.758 -0.734 . . . . 72.230000000000004 112.507 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.432 ' O ' HG12 ' A' ' 18' ' ' VAL . 3.5 t -148.86 28.66 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.812 0.339 . . . . 71.120000000000005 111.16 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -148.58 -76.14 0.17 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 50.100000000000001 110.903 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -84.91 -10.26 57.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 75.239999999999995 110.919 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 95.5 m -112.16 -28.32 8.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 71.239999999999995 111.139 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -56.01 -47.82 77.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 65.109999999999999 110.924 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -51.27 126.63 17.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 44.509999999999998 110.851 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -178.0 -43.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 75.030000000000001 110.905 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 11.2 m -143.76 -42.46 0.28 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 72.150000000000006 111.145 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 4.7 ttm -77.91 -69.66 0.53 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 52.020000000000003 110.91 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.6 mp -70.66 -26.03 63.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 74.439999999999998 110.877 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -52.02 -58.09 7.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 72.540000000000006 110.923 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 12.2 ptmt -117.79 26.33 9.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 73.120000000000005 110.898 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 9.1 mptt . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 53.32 110.899 179.875 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 8.9 ptpt . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.869 0.366 . . . . 72.319999999999993 110.869 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.07 162.03 14.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 75.420000000000002 110.845 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.77 -57.44 1.72 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 63.539999999999999 110.868 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -68.46 -43.02 77.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.231 -0.441 . . . . 74.25 110.907 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.419 ' O ' HG12 ' A' ' 5' ' ' VAL . 3.2 t -95.59 27.49 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.076 -0.511 . . . . 71.239999999999995 111.106 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -116.92 -24.39 7.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 54.210000000000001 111.078 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -88.91 -23.22 22.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.442 . . . . 71.230000000000004 110.885 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.405 ' O ' HG12 ' A' ' 8' ' ' VAL . 12.9 t -107.42 -7.0 10.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 65.230000000000004 111.178 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.5 tt -51.34 -29.99 9.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.478 . . . . 74.540000000000006 111.13 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 17.2 m95 -56.62 -48.0 78.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 65.420000000000002 110.913 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -74.44 -31.5 62.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 51.32 110.958 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -76.16 -13.21 60.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 74.219999999999999 110.936 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.68 24.45 7.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 73.010000000000005 110.852 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -118.38 -29.44 5.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 70.430000000000007 111.097 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -81.04 -0.35 39.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 74.319999999999993 110.928 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -110.89 -39.31 4.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.106 -0.497 . . . . 74.040000000000006 110.868 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -98.71 19.32 54.83 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.741 -0.742 . . . . 64.239999999999995 112.48 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.437 ' O ' HG12 ' A' ' 18' ' ' VAL . 3.3 t -150.87 18.89 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.805 0.336 . . . . 71.310000000000002 111.174 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 49.1 tp60 -145.07 -75.96 0.22 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 70.140000000000001 110.908 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -77.51 -10.76 59.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 72.420000000000002 110.896 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 88.5 m -112.34 -32.84 6.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 74.420000000000002 111.15 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -51.9 -38.14 55.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 70.120000000000005 110.94 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.628 ' HG3' HD23 ' A' ' 27' ' ' LEU . 2.2 tt0 -66.74 -169.38 0.08 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.124 -0.489 . . . . 72.409999999999997 110.877 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER 69.15 9.35 7.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 75.349999999999994 110.828 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 10.5 t -176.4 28.05 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 75.420000000000002 111.144 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 178.34 29.17 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 72.420000000000002 110.883 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.628 HD23 ' HG3' ' A' ' 23' ' ' GLU . 6.1 tp 173.62 -36.36 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 52.119999999999997 110.906 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 37.2 tp60 -57.77 -63.91 1.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 74.129999999999995 110.885 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.3 ptmt -130.44 27.95 4.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.192 -0.458 . . . . 74.049999999999997 110.909 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.1 mptt . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 72.049999999999997 110.902 179.869 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 7.7 pttp . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.872 0.368 . . . . 74.540000000000006 110.91 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.492 ' HB2' ' HB2' ' A' ' 6' ' ' ALA . 2.2 mtpp -120.04 172.54 7.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 72.519999999999996 110.966 179.81 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.68 -58.76 0.52 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.282 -0.417 . . . . 73.420000000000002 110.898 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -60.9 -23.99 65.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.444 . . . . 72.230000000000004 110.882 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 40.1 t -109.59 -32.76 2.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.49 . . . . 73.230000000000004 111.123 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.492 ' HB2' ' HB2' ' A' ' 2' ' ' LYS . . . -74.05 -14.78 61.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 34.509999999999998 111.095 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 10.0 mtt -103.17 -18.45 14.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 64.329999999999998 110.932 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.42 ' O ' HG12 ' A' ' 8' ' ' VAL . 10.8 t -108.44 -4.74 10.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.191 -0.459 . . . . 64.230000000000004 111.129 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.5 tt -56.12 -23.46 15.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 64.439999999999998 111.138 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -69.16 -32.99 72.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 73.129999999999995 110.946 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.3 mt -90.3 -20.14 23.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.471 . . . . 75.120000000000005 110.912 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -87.83 -25.63 23.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.474 . . . . 62.439999999999998 110.912 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -95.71 -17.16 21.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 64.230000000000004 110.847 -179.853 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -91.79 -22.84 19.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 52.310000000000002 111.11 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -84.09 2.55 38.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 72.299999999999997 110.897 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 11.3 ptp180 -110.18 -37.25 5.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 73.120000000000005 110.892 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -102.86 16.2 54.69 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.746 -0.74 . . . . 43.240000000000002 112.489 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.438 ' O ' HG12 ' A' ' 18' ' ' VAL . 3.5 t -150.1 26.83 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.76 0.314 . . . . 71.420000000000002 111.104 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 26.2 mm100 -145.51 -76.51 0.21 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.491 . . . . 63.43 110.918 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.5 mt -85.75 -10.37 55.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 71.219999999999999 110.917 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 98.5 m -110.48 -28.0 8.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 53.420000000000002 111.132 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -57.74 -49.68 75.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 74.030000000000001 110.954 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -51.67 114.76 1.36 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 75.25 110.919 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -177.46 -40.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 74.549999999999997 110.871 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -139.38 -45.12 0.45 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.183 -0.462 . . . . 61.420000000000002 111.144 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -82.03 -70.49 0.54 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 75.209999999999994 110.912 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.72 -26.06 67.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 64.129999999999995 110.921 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -52.86 -72.26 0.06 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 71.329999999999998 110.936 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.0 ptpp? -101.68 26.38 7.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 71.450000000000003 110.892 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 25.7 mmtt . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.266 -0.425 . . . . 54.140000000000001 110.931 179.882 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.851 0.358 . . . . 75.430000000000007 110.9 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -104.5 152.23 22.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.442 . . . . 75.140000000000001 110.887 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 86.8 mtm180 -109.95 -60.43 1.79 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 74.109999999999999 110.892 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.479 ' O ' HG23 ' A' ' 8' ' ' VAL . 6.7 m-85 -70.4 -61.61 1.71 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 73.400000000000006 110.894 -179.838 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 86.2 t -56.14 -29.95 28.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 75.310000000000002 111.105 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -74.88 -21.84 59.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 64.140000000000001 111.083 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 1.5 ttt -89.98 -7.33 54.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.28 -0.418 . . . . 74.5 110.855 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 4' ' ' TYR . 3.4 t -117.01 -20.96 5.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 74.439999999999998 111.122 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 10.6 tp -60.79 -18.63 17.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 65.120000000000005 111.152 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -66.89 -33.43 75.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 64.430000000000007 110.968 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.472 HD11 ' CE1' ' A' ' 12' ' ' TYR . 1.1 pp -89.56 -28.05 19.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 70.319999999999993 110.926 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.472 ' CE1' HD11 ' A' ' 11' ' ' LEU . 21.0 m-85 -75.28 -25.41 57.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 72.319999999999993 110.918 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.83 -20.66 19.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 72.340000000000003 110.846 -179.845 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.41 -21.67 27.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 62.409999999999997 111.065 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -82.94 1.12 41.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 73.030000000000001 110.888 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.47 -44.57 3.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.467 . . . . 74.430000000000007 110.856 -179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -90.33 16.2 58.12 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.701 -0.761 . . . . 72.540000000000006 112.468 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.458 ' O ' HG12 ' A' ' 18' ' ' VAL . 3.7 t -144.85 11.48 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.754 0.311 . . . . 74.329999999999998 111.1 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -134.11 -75.78 0.47 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 63.030000000000001 110.872 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.94 -16.71 59.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 63.310000000000002 110.94 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.5 m -107.55 -23.97 11.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 72.209999999999994 111.154 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.404 ' HB2' ' HA ' ' A' ' 18' ' ' VAL . 21.1 t80 -57.21 -43.37 82.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.187 -0.46 . . . . 64.040000000000006 110.951 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.552 ' HG3' HD23 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -51.5 140.9 16.98 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.118 -0.492 . . . . 73.219999999999999 110.919 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -179.18 -47.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 70.340000000000003 110.836 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -142.9 -42.08 0.31 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 73.409999999999997 111.124 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.94 -69.99 0.29 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 74.040000000000006 110.865 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.552 HD23 ' HG3' ' A' ' 23' ' ' GLU . 46.4 tp -80.26 -22.18 41.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.233 -0.439 . . . . 63.530000000000001 110.905 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -51.97 -44.84 64.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.183 -0.462 . . . . 72.150000000000006 110.945 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.1 mttm -116.35 -25.65 7.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 74.540000000000006 110.915 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.9 mptt . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 74.319999999999993 110.884 179.864 . . . . . . . . 0 0 . 1 stop_ save_